subject:(Computational physics)

University of Vienna

1. Höld, Mathias. Simulation of Nano Particles in a Laser-Trap.

Degree: 2017, University of Vienna

►

Optical trapping bezeichnet eine experimentelle Methode, bei der Objekte mit einer Größe, die von einer subatomaren bis zur Mikrometer-Skala reicht, durch die Gradientenkraft eines Lasers… (more)

Subjects/Keywords: 33.99 Physik: Sonstiges; Simulation / Laserfalle / Nanoteilchen / Computational Physics; Simulation / Laser trap / Nano Particle / Computational Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Höld, M. (2017). Simulation of Nano Particles in a Laser-Trap. (Thesis). University of Vienna. Retrieved from http://othes.univie.ac.at/45637/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Höld, Mathias. “Simulation of Nano Particles in a Laser-Trap.” 2017. Thesis, University of Vienna. Accessed August 19, 2018. http://othes.univie.ac.at/45637/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Höld, Mathias. “Simulation of Nano Particles in a Laser-Trap.” 2017. Web. 19 Aug 2018.

Vancouver:

Höld M. Simulation of Nano Particles in a Laser-Trap. [Internet] [Thesis]. University of Vienna; 2017. [cited 2018 Aug 19]. Available from: http://othes.univie.ac.at/45637/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Höld M. Simulation of Nano Particles in a Laser-Trap. [Thesis]. University of Vienna; 2017. Available from: http://othes.univie.ac.at/45637/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of California – Merced

2. Copenhagen, Katherine. Collective motion in behaviorally heterogeneous systems.

Degree: Physics, 2017, University of California – Merced

URL: http://www.escholarship.org/uc/item/8750d6nj

► Collective motion is a widespread phenomenon in nature where individuals actively propel themselves, gather together and move as a group. Some examples of collective motion… (more)

▼ Collective motion is a widespread phenomenon in nature where individuals actively propel themselves, gather together and move as a group. Some examples of collective motion are bird flocks, fish schools, bacteria swarms, cell clusters, and crowds of people. Many models seek to understand the effects of activity in collective systems including things such as environmental disorder, density, and interaction details primarily at infinite size limits and with uniform populations. In this dissertation I investigate the effects of finite sizes and behavioral heterogeneity as it exists in nature. Behavioral heterogeneity can originate from several different sources. Mixed populations of individuals can have inherently different behaviors such as mutant bacteria, injured fish, or agents that prefer individualistic behavior over coordinated motion. Alternatively, agents may modify their own behavior based on some local environmental dependency, such as local substrate, or density.In cases such as mutant cheaters in bacteria or malfunctioning drones in swarms, mixed populations of behaviorally heterogeneous agents can be modelled as arising in the form of aligning and non-aligning agents. When this kind of heterogeneity is introduced, there is a critical carrying capacity of non-aligners above which the system is unable to form a cohesive ordered group. However, if the cohesion of the group is relaxed to allow for fracture, the system will actively sort out non-aligning agents the system will exist at a critical non-aligner fraction. A similar heterogeneity could result in a mixture of high and low noise individuals. In this case there is also a critical carry capacity beyond which the system is unable to reach an ordered state, however the nature of this transition depends on the model details. Agents which are part of an ordered collective may vary their behavior as the group changes environments such as a flock of birds flying into a cloud. Using a unique model of a flock where the group behaves as a rigid disk reveals interesting behaviors as the system crosses a boundary between interfaces. The collective rotates and reorients or becomes stuck on the boundary as it crosses. I also investigate the effects of variable behavior depending on local density, and find that a frustration driven transient rotational phase arises in clusters where agents with low local density move faster than those with high local density as in cell clusters. All together I have shown that behavioral heterogeneity in collective motion can lead to unique phases and behaviors that are not seen in their homogeneous counterparts.

Subjects/Keywords: Biophysics; Computational physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Copenhagen, K. (2017). Collective motion in behaviorally heterogeneous systems. (Thesis). University of California – Merced. Retrieved from http://www.escholarship.org/uc/item/8750d6nj

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Copenhagen, Katherine. “Collective motion in behaviorally heterogeneous systems.” 2017. Thesis, University of California – Merced. Accessed August 19, 2018. http://www.escholarship.org/uc/item/8750d6nj.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Copenhagen, Katherine. “Collective motion in behaviorally heterogeneous systems.” 2017. Web. 19 Aug 2018.

Vancouver:

Copenhagen K. Collective motion in behaviorally heterogeneous systems. [Internet] [Thesis]. University of California – Merced; 2017. [cited 2018 Aug 19]. Available from: http://www.escholarship.org/uc/item/8750d6nj.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Copenhagen K. Collective motion in behaviorally heterogeneous systems. [Thesis]. University of California – Merced; 2017. Available from: http://www.escholarship.org/uc/item/8750d6nj

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

3. Stirewalt, Heather R. Computation as a Model Building Tool in a High School Physics Classroom.

Degree: 2018, California State University, Long Beach

URL: http://pqdtopen.proquest.com/#viewpdf?dispub=10785706

► The Next Generation Science Standards (NGSS) have established computational thinking as one of the science and engineering practices that should be developed in high… (more)

Subjects/Keywords: Computational physics; Education; Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Stirewalt, H. R. (2018). Computation as a Model Building Tool in a High School Physics Classroom. (Thesis). California State University, Long Beach. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=10785706

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Stirewalt, Heather R. “Computation as a Model Building Tool in a High School Physics Classroom.” 2018. Thesis, California State University, Long Beach. Accessed August 19, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10785706.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Stirewalt, Heather R. “Computation as a Model Building Tool in a High School Physics Classroom.” 2018. Web. 19 Aug 2018.

Vancouver:

Stirewalt HR. Computation as a Model Building Tool in a High School Physics Classroom. [Internet] [Thesis]. California State University, Long Beach; 2018. [cited 2018 Aug 19]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10785706.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Stirewalt HR. Computation as a Model Building Tool in a High School Physics Classroom. [Thesis]. California State University, Long Beach; 2018. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10785706

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of California, San Diego

4. Kaardal, Joel Thomas. Decoding the Computations of Sensory Neurons.

Degree: 2018, University of California, San Diego

URL: http://pqdtopen.proquest.com/#viewpdf?dispub=10633582

► The nervous system encodes information about external stimuli through sophisticated computations performed by vast networks of sensory neurons. Since the space of all possible… (more)

Subjects/Keywords: Computational physics; Neurosciences; Biophysics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Kaardal, J. T. (2018). Decoding the Computations of Sensory Neurons. (Thesis). University of California, San Diego. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=10633582

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Kaardal, Joel Thomas. “Decoding the Computations of Sensory Neurons.” 2018. Thesis, University of California, San Diego. Accessed August 19, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10633582.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Kaardal, Joel Thomas. “Decoding the Computations of Sensory Neurons.” 2018. Web. 19 Aug 2018.

Vancouver:

Kaardal JT. Decoding the Computations of Sensory Neurons. [Internet] [Thesis]. University of California, San Diego; 2018. [cited 2018 Aug 19]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10633582.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kaardal JT. Decoding the Computations of Sensory Neurons. [Thesis]. University of California, San Diego; 2018. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10633582

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Georgia State University

5. Aiken, John M. Transforming High School Physics With Modeling And Computation.

Degree: MS, Physics and Astronomy, 2013, Georgia State University

URL: https://scholarworks.gsu.edu/phy_astr_theses/18

► The Engage to Excel (PCAST) report, the National Research Council's Framework for K-12 Science Education, and the Next Generation Science Standards all call for… (more)

Subjects/Keywords: Computational Modeling; Physics; Education

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Aiken, J. M. (2013). Transforming High School Physics With Modeling And Computation. (Thesis). Georgia State University. Retrieved from https://scholarworks.gsu.edu/phy_astr_theses/18

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Aiken, John M. “Transforming High School Physics With Modeling And Computation.” 2013. Thesis, Georgia State University. Accessed August 19, 2018. https://scholarworks.gsu.edu/phy_astr_theses/18.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Aiken, John M. “Transforming High School Physics With Modeling And Computation.” 2013. Web. 19 Aug 2018.

Vancouver:

Aiken JM. Transforming High School Physics With Modeling And Computation. [Internet] [Thesis]. Georgia State University; 2013. [cited 2018 Aug 19]. Available from: https://scholarworks.gsu.edu/phy_astr_theses/18.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Aiken JM. Transforming High School Physics With Modeling And Computation. [Thesis]. Georgia State University; 2013. Available from: https://scholarworks.gsu.edu/phy_astr_theses/18

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

6. Fedak, Adam. A Compact Fourth-Order Finite Volume Method for Structured Curvilinear Grids.

Degree: 2018, University of California, Davis

URL: http://pqdtopen.proquest.com/#viewpdf?dispub=10682563

► A fourth-order accurate finite volume method for curvilinear grids based on Hermitian interpolation and splines is here presented in one and two dimensions. The… (more)

Subjects/Keywords: Computational physics; Aerospace engineering

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Fedak, A. (2018). A Compact Fourth-Order Finite Volume Method for Structured Curvilinear Grids. (Thesis). University of California, Davis. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=10682563

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Fedak, Adam. “A Compact Fourth-Order Finite Volume Method for Structured Curvilinear Grids.” 2018. Thesis, University of California, Davis. Accessed August 19, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10682563.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Fedak, Adam. “A Compact Fourth-Order Finite Volume Method for Structured Curvilinear Grids.” 2018. Web. 19 Aug 2018.

Vancouver:

Fedak A. A Compact Fourth-Order Finite Volume Method for Structured Curvilinear Grids. [Internet] [Thesis]. University of California, Davis; 2018. [cited 2018 Aug 19]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10682563.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Fedak A. A Compact Fourth-Order Finite Volume Method for Structured Curvilinear Grids. [Thesis]. University of California, Davis; 2018. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10682563

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Colorado School of Mines

7. Wang, Cong. A Multi-Scale, Multi-Continuum and Multi-Physics Model to Simulate Coupled Fluid Flow and Geomechanics in Shale Gas Reservoirs.

Degree: 2018, Colorado School of Mines

URL: http://pqdtopen.proquest.com/#viewpdf?dispub=10684514

► In this study, several efficient and accurate mathematical models and numerical solutions to unconventional reservoir development problems are developed. The first is the three-dimensional… (more)

Subjects/Keywords: Computational physics; Engineering; Petroleum engineering

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Wang, C. (2018). A Multi-Scale, Multi-Continuum and Multi-Physics Model to Simulate Coupled Fluid Flow and Geomechanics in Shale Gas Reservoirs. (Thesis). Colorado School of Mines. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=10684514

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Wang, Cong. “A Multi-Scale, Multi-Continuum and Multi-Physics Model to Simulate Coupled Fluid Flow and Geomechanics in Shale Gas Reservoirs.” 2018. Thesis, Colorado School of Mines. Accessed August 19, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10684514.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Wang, Cong. “A Multi-Scale, Multi-Continuum and Multi-Physics Model to Simulate Coupled Fluid Flow and Geomechanics in Shale Gas Reservoirs.” 2018. Web. 19 Aug 2018.

Vancouver:

Wang C. A Multi-Scale, Multi-Continuum and Multi-Physics Model to Simulate Coupled Fluid Flow and Geomechanics in Shale Gas Reservoirs. [Internet] [Thesis]. Colorado School of Mines; 2018. [cited 2018 Aug 19]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10684514.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Wang C. A Multi-Scale, Multi-Continuum and Multi-Physics Model to Simulate Coupled Fluid Flow and Geomechanics in Shale Gas Reservoirs. [Thesis]. Colorado School of Mines; 2018. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10684514

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

ETH Zürich

8. Solórzano, Sergio. Transport: Lattice Kinetic Methods & Thermal Rectification Phenomena.

Degree: 2017, ETH Zürich

URL: http://hdl.handle.net/20.500.11850/228259

Subjects/Keywords: physics; Computational physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Solórzano, S. (2017). Transport: Lattice Kinetic Methods & Thermal Rectification Phenomena. (Doctoral Dissertation). ETH Zürich. Retrieved from http://hdl.handle.net/20.500.11850/228259

Chicago Manual of Style (16^th Edition):

Solórzano, Sergio. “Transport: Lattice Kinetic Methods & Thermal Rectification Phenomena.” 2017. Doctoral Dissertation, ETH Zürich. Accessed August 19, 2018. http://hdl.handle.net/20.500.11850/228259.

MLA Handbook (7^th Edition):

Solórzano, Sergio. “Transport: Lattice Kinetic Methods & Thermal Rectification Phenomena.” 2017. Web. 19 Aug 2018.

Vancouver:

Solórzano S. Transport: Lattice Kinetic Methods & Thermal Rectification Phenomena. [Internet] [Doctoral dissertation]. ETH Zürich; 2017. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/20.500.11850/228259.

Council of Science Editors:

Solórzano S. Transport: Lattice Kinetic Methods & Thermal Rectification Phenomena. [Doctoral Dissertation]. ETH Zürich; 2017. Available from: http://hdl.handle.net/20.500.11850/228259

Case Western Reserve University

9. Lukashev, Pavel. Crystal and Electronic Structure of Copper Sulfides.

Degree: PhD, Physics, 2007, Case Western Reserve University

URL: http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394

► Copper sulfides with different copper concentration exist in mineral form ranging from CuS to Cu₂S. Among these, chalcosite Cu₂S, and digenite Cu_1.8S were the… (more)

▼ Copper sulfides with different copper concentration exist in mineral form ranging from CuS to Cu₂S. Among these, chalcosite Cu₂S, and digenite Cu_1.8S were the subject of extensive research for decades mainly because of their use as the absorber in photovoltaic cells. Yet, their electronic structure is poorly understood because their crystal structure is complex. Most of the results published so far report the semiconducting nature of these compounds with the energy band gap being in the range of 0.84 to 1.9 eV. The crystal structure consists of a close-packed lattice of S with mobile Cu occupying various types of interstitial sites with a statistical distribution depending on temperature. In this thesis we present the first computational study of their electronic band structure. Initially, we investigated the simpler antifluorite structure. Both local density approximation (LDA) and self-consistent quasiparticle GW calculations with the full-potential linearized muffin-tin orbital method give a semimetallic band structure. Inspection of the nature of the bands shows that the lowest conduction band is mainly Cu-s-like except right near the center of the Brillouin zone where a Cu-s-like state lies about 1 eV below the valence band maximum. Significantly, in GW calculations, this state shifts up by several 0.1 eV but not sufficiently to open a gap. A random distortion of the Cu atoms from the perfect antifluorite positions is found to break the degeneracy of the d state at the Gamma-point and thus opens up a small gap of about 0.1 eV in LDA. As our next step we constructed supercell models for the cubic and hexagonal phases with the Cu positions determined by a weighted random number generator. The low temperature monoclinic phase was also studied. The computed total energies of these structures follow the same order as the reported phases with increasing temperatures. All these models gave similar small band gaps of order 0.1 – 0.2 eV. However, their conduction band is now mainly s-like and addition of an expected Cu-s level shift opens the gap to about 0.5 eV. Some simpler hexagonal model structures gave slightly larger band gap but were found to be unrealistic. The optical absorption data all show a strong intraband absorption with a minimum in absorption at about 1 eV. Our calculations suggest a significantly lower gap of order 0.5 eV with low absorption cross section, the true nature of which is masked by the free carrier absorption. As part of our study of the related Cu-compounds, we analyzed the quasiparticle effects beyond LDA obtained from a GW calculation on the effective masses and Kohn-Luttinger hamiltonian parameters for CuBr. Advisors/Committee Members: Lambrecht, Walter (Advisor).

Subjects/Keywords: Physics, Condensed Matter; electronic structure; computational physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Lukashev, P. (2007). Crystal and Electronic Structure of Copper Sulfides. (Doctoral Dissertation). Case Western Reserve University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394

Chicago Manual of Style (16^th Edition):

Lukashev, Pavel. “Crystal and Electronic Structure of Copper Sulfides.” 2007. Doctoral Dissertation, Case Western Reserve University. Accessed August 19, 2018. http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394.

MLA Handbook (7^th Edition):

Lukashev, Pavel. “Crystal and Electronic Structure of Copper Sulfides.” 2007. Web. 19 Aug 2018.

Vancouver:

Lukashev P. Crystal and Electronic Structure of Copper Sulfides. [Internet] [Doctoral dissertation]. Case Western Reserve University; 2007. [cited 2018 Aug 19]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394.

Council of Science Editors:

Lukashev P. Crystal and Electronic Structure of Copper Sulfides. [Doctoral Dissertation]. Case Western Reserve University; 2007. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1164213394

University of Waterloo

10. Murray, Ryan. Tunnel Ionization in Strong Fields in atoms and molecules and its applications.

Degree: 2011, University of Waterloo

URL: http://hdl.handle.net/10012/5863

► We look at the theory of ionization of atoms and molecules in the presence of a strong laser field. The history of ionization of atoms… (more)

Subjects/Keywords: atomic physics; femtosecond; molecular physics; attosecond; computational

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Murray, R. (2011). Tunnel Ionization in Strong Fields in atoms and molecules and its applications. (Thesis). University of Waterloo. Retrieved from http://hdl.handle.net/10012/5863

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Murray, Ryan. “Tunnel Ionization in Strong Fields in atoms and molecules and its applications.” 2011. Thesis, University of Waterloo. Accessed August 19, 2018. http://hdl.handle.net/10012/5863.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Murray, Ryan. “Tunnel Ionization in Strong Fields in atoms and molecules and its applications.” 2011. Web. 19 Aug 2018.

Vancouver:

Murray R. Tunnel Ionization in Strong Fields in atoms and molecules and its applications. [Internet] [Thesis]. University of Waterloo; 2011. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/10012/5863.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Murray R. Tunnel Ionization in Strong Fields in atoms and molecules and its applications. [Thesis]. University of Waterloo; 2011. Available from: http://hdl.handle.net/10012/5863

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Johannes Gutenberg Universität Mainz

11. Diaz Ochoa, Juan G. Theoretical investigation of the interaction of a polymer film with a nanoparticle.

Degree: 2005, Johannes Gutenberg Universität Mainz

URL: http://ubm.opus.hbz-nrw.de/volltexte/2005/856/

► The fundamental aim in our investigation of the interaction of a polymer film with a nanoparticle is the extraction of information on the dynamics of… (more)

▼ The fundamental aim in our investigation of the interaction of a polymer film with a nanoparticle is the extraction of information on the dynamics of the liquid using a single tracking particle. In this work two theoretical methods were used: one passive, where the motion of the particle measures the dynamics of the liquid, one active, where perturbations in the system are introduced through the particle. In the first part of this investigation a thin polymeric film on a substrate is studied using molecular dynamics simulations. The polymer is modeled via a 'bead spring' model. The particle is spheric and non structured and is able to interact with the monomers via a Lennard Jones potential. The system is micro-canonical and simulations were performed for average temperatures between the glass transition temperature of the film and its dewetting temperature. It is shown that the stability of the nanoparticle on the polymer film in the absence of gravity depends strongly on the form of the chosen interaction potential between nanoparticle and polymer. The relative position of the tracking particle to the liquid vapor interface of the polymer film shows the glass transition of the latter. The velocity correlation function and the mean square displacement of the particle has shown that it is caged when the temperature is close to the glass transition temperature. The analysis of the dynamics at long times shows the coupling of the nanoparticle to the center of mass of the polymer chains. The use of the Stokes-Einstein formula, which relates the diffusion coefficient to the viscosity, permits to use the nanoparticle as a probe for the determination of the bulk viscosity of the melt, the so called 'microrheology'. It is shown that for low frequencies the result obtained using microrheology coincides with the results of the Rouse model applied to the polymer dynamics. In the second part of this investigation the equations of Linear Hydrodynamics are solved for a nanoparticle oscillating above the film. It is shown that compressible liquids have mechanical response to external perturbations induced with the nanoparticle. These solutions show strong velocity and pressure profiles of the liquid near the interface, as well as a mechanical response of the liquid-vapor interface. The results obtained with this calculations can be employed for the interpretation of experimental results of non contact AFM microscopy

Subjects/Keywords: Stochastik, Brownsche Bewegung, Polymer Physik, Computational Physik, Hydrodynamik; Stochastics, Brownian Motion, Polymer Physics, Computational Physics, Hydrodynamics; Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Diaz Ochoa, J. G. (2005). Theoretical investigation of the interaction of a polymer film with a nanoparticle. (Doctoral Dissertation). Johannes Gutenberg Universität Mainz. Retrieved from http://ubm.opus.hbz-nrw.de/volltexte/2005/856/

Chicago Manual of Style (16^th Edition):

Diaz Ochoa, Juan G. “Theoretical investigation of the interaction of a polymer film with a nanoparticle.” 2005. Doctoral Dissertation, Johannes Gutenberg Universität Mainz. Accessed August 19, 2018. http://ubm.opus.hbz-nrw.de/volltexte/2005/856/.

MLA Handbook (7^th Edition):

Diaz Ochoa, Juan G. “Theoretical investigation of the interaction of a polymer film with a nanoparticle.” 2005. Web. 19 Aug 2018.

Vancouver:

Diaz Ochoa JG. Theoretical investigation of the interaction of a polymer film with a nanoparticle. [Internet] [Doctoral dissertation]. Johannes Gutenberg Universität Mainz; 2005. [cited 2018 Aug 19]. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2005/856/.

Council of Science Editors:

Diaz Ochoa JG. Theoretical investigation of the interaction of a polymer film with a nanoparticle. [Doctoral Dissertation]. Johannes Gutenberg Universität Mainz; 2005. Available from: http://ubm.opus.hbz-nrw.de/volltexte/2005/856/

University of California – Berkeley

12. Yuen, Albert. Passive Focusing of Intense Ion Beams.

Degree: Nuclear Engineering, 2016, University of California – Berkeley

URL: http://www.escholarship.org/uc/item/20v479dc

► The radial control of high current ion beams from induction accelerators or generated by short pulsed intense laser-plasma interactions is generally limited by Coulomb repulsion… (more)

Subjects/Keywords: Physics; Plasma physics; Nuclear engineering; Accelerator Physics; Beam Physics; Computational Physics; Plasma Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Yuen, A. (2016). Passive Focusing of Intense Ion Beams. (Thesis). University of California – Berkeley. Retrieved from http://www.escholarship.org/uc/item/20v479dc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Yuen, Albert. “Passive Focusing of Intense Ion Beams.” 2016. Thesis, University of California – Berkeley. Accessed August 19, 2018. http://www.escholarship.org/uc/item/20v479dc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Yuen, Albert. “Passive Focusing of Intense Ion Beams.” 2016. Web. 19 Aug 2018.

Vancouver:

Yuen A. Passive Focusing of Intense Ion Beams. [Internet] [Thesis]. University of California – Berkeley; 2016. [cited 2018 Aug 19]. Available from: http://www.escholarship.org/uc/item/20v479dc.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Yuen A. Passive Focusing of Intense Ion Beams. [Thesis]. University of California – Berkeley; 2016. Available from: http://www.escholarship.org/uc/item/20v479dc

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Linköping University

13. Fransson, Thomas. Chemical bond analysis in the ten-electron series.

Degree: Chemistry and Biology, 2009, Linköping University

URL: http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-19554

► This thesis presents briefly the application of quantum mechanics on systems ofchemical interest, i.e., the field of quantum chemistry and computational chemistry.The molecules of… (more)

Subjects/Keywords: computational physics; computational chemistry; quantum chemistry; bond analysis; electron population; electron transfer; Chemical physics; Kemisk fysik; Computational physics; Beräkningsfysik

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Fransson, T. (2009). Chemical bond analysis in the ten-electron series. (Thesis). Linköping University. Retrieved from http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-19554

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Fransson, Thomas. “Chemical bond analysis in the ten-electron series.” 2009. Thesis, Linköping University. Accessed August 19, 2018. http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-19554.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Fransson, Thomas. “Chemical bond analysis in the ten-electron series.” 2009. Web. 19 Aug 2018.

Vancouver:

Fransson T. Chemical bond analysis in the ten-electron series. [Internet] [Thesis]. Linköping University; 2009. [cited 2018 Aug 19]. Available from: http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-19554.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Fransson T. Chemical bond analysis in the ten-electron series. [Thesis]. Linköping University; 2009. Available from: http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-19554

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Universiteit Utrecht

14. Rottier, O.G. One-loop corrections at future linear colliders.

Degree: 2014, Universiteit Utrecht

URL: http://dspace.library.uu.nl:8080/handle/1874/297077

► In order to benefit from high precision measurements at a future Linear Collider, we need to go beyond the tree level for cross section calculations… (more)

Subjects/Keywords: High energy physics; Particle physics; Phenomenology; Computational physics; Higgs

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Rottier, O. G. (2014). One-loop corrections at future linear colliders. (Masters Thesis). Universiteit Utrecht. Retrieved from http://dspace.library.uu.nl:8080/handle/1874/297077

Chicago Manual of Style (16^th Edition):

Rottier, O G. “One-loop corrections at future linear colliders.” 2014. Masters Thesis, Universiteit Utrecht. Accessed August 19, 2018. http://dspace.library.uu.nl:8080/handle/1874/297077.

MLA Handbook (7^th Edition):

Rottier, O G. “One-loop corrections at future linear colliders.” 2014. Web. 19 Aug 2018.

Vancouver:

Rottier OG. One-loop corrections at future linear colliders. [Internet] [Masters thesis]. Universiteit Utrecht; 2014. [cited 2018 Aug 19]. Available from: http://dspace.library.uu.nl:8080/handle/1874/297077.

Council of Science Editors:

Rottier OG. One-loop corrections at future linear colliders. [Masters Thesis]. Universiteit Utrecht; 2014. Available from: http://dspace.library.uu.nl:8080/handle/1874/297077

Boston University

15. Tang, Ying. Quantum Monte Carlo studies of quantum criticality in low-dimensional spin systems.

Degree: PhD, Physics, 2014, Boston University

URL: http://hdl.handle.net/2144/14301

► Strongly correlated low-dimensional quantum spin models provide a well-established frame- work to study magnetic properties of insulators, and are of great theoretical interest and experimental… (more)

▼ Strongly correlated low-dimensional quantum spin models provide a well-established frame- work to study magnetic properties of insulators, and are of great theoretical interest and experimental relevance in condensed-matter physics. In this thesis, I use quantum Monte Carlo methods to numerically study quantum critical behavior in low-dimensional quantum spin models and wavefunctions. First, I study spinons &ndash emergent spin-1/2 bosonic excitations &ndash at certain one- and two-dimensional quantum phase transitions (QPTs) in spin models, by characterizing their size and confinement length quantitatively. In particular, I focus on the QPT from an antiferromagnetic (AFM) phase into a valence-bond solid (VBS) phase, which is an example of a violation of the standard Landau-Ginzburg-Wilson paradigm for phase transitions. This transition in two dimensions (2D) is instead likely described by a novel theory called "deconfined quantum criticality" (DQC). According to the theory, spinons should be deconfined. The degree of deconfinement is quantified in my calculations. Second, I present a comprehensive study of so-called short-bond resonating-valence-bond (RVB) spin liquids in 2D, which have been suggested as a good starting point for understanding the spin physics of high-temperature cuprates. I find that these RVB states can also be classified as quantum-critical VBS states, which indicates that RVB is less disordered than expected. This work suggests a possible mapping from the quantum RVB states to classical dimer models via a classical continuum field theory – the height model. This map explicitly bridges well-established classical results to future quantum studies. Third, I consider 1D amplitude product (AP) states, which are generalized versions of RVB states, with different wavefunction weightings of bonds according to their lengths. AP states constitute a good ansatz for certain Hamiltonians and are of broad interest in quantum magnetism. I study phase transitions from AFM-VBS phases in AP states by tuning their amplitudes, and obtain continuously varying critical exponents. In addition, I classify the 1D AP states through entanglement entropy calculations of the central charge in (1+1)D conformal field theory. This new classification could serve as guide for AP states as trial wavefunctions to search for ground states of corresponding quantum spin models.

Subjects/Keywords: Physics; Computational physics; Condensed matter theory; Quantum spin model; Statistical physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Tang, Y. (2014). Quantum Monte Carlo studies of quantum criticality in low-dimensional spin systems. (Doctoral Dissertation). Boston University. Retrieved from http://hdl.handle.net/2144/14301

Chicago Manual of Style (16^th Edition):

Tang, Ying. “Quantum Monte Carlo studies of quantum criticality in low-dimensional spin systems.” 2014. Doctoral Dissertation, Boston University. Accessed August 19, 2018. http://hdl.handle.net/2144/14301.

MLA Handbook (7^th Edition):

Tang, Ying. “Quantum Monte Carlo studies of quantum criticality in low-dimensional spin systems.” 2014. Web. 19 Aug 2018.

Vancouver:

Tang Y. Quantum Monte Carlo studies of quantum criticality in low-dimensional spin systems. [Internet] [Doctoral dissertation]. Boston University; 2014. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/2144/14301.

Council of Science Editors:

Tang Y. Quantum Monte Carlo studies of quantum criticality in low-dimensional spin systems. [Doctoral Dissertation]. Boston University; 2014. Available from: http://hdl.handle.net/2144/14301

16. Smith, Katherine Margaret. Effects of Submesoscale Turbulence on Reactive Tracers in the Upper Ocean.

Degree: 2018, University of Colorado at Boulder

URL: http://pqdtopen.proquest.com/#viewpdf?dispub=10623667

► In this dissertation, Large Eddy Simulations (LES) are used to model the coupled turbulence-reactive tracer dynamics within the upper mixed layer of the ocean.… (more)

▼ In this dissertation, Large Eddy Simulations (LES) are used to model the coupled turbulence-reactive tracer dynamics within the upper mixed layer of the ocean. Prior work has shown that LES works well over the spatial and time scales relevant to both turbulence and reactive biogeochemistry. Additionally, the code intended for use is able to carry an arbitrary number of tracer equations, allowing for easy expansion of the species reactions. Research in this dissertation includes a study of 15 idealized non-reactive tracers within an evolving large-scale temperature front in order determine and understand the fundamental dynamics underlying turbulence-tracer interaction in the absence of reactions. The focus of this study, in particular, was on understanding the evolution of biogeochemically-relevant, non-reactive tracers in the presence of both large (~5 km) submesoscale eddies and smallscale (~100 m) wave-driven Langmuir turbulence. The 15 tracers studied have different initial, boundary, and source conditions and significant differences are seen in their distributions depending on these conditions. Differences are also seen between regions where submesoscale eddies and small-scale Langmuir turbulence are both present, and in regions with only Langmuir turbulence. A second study focuses on the examination of Langmuir turbulence effects on upper ocean carbonate chemistry. Langmuir mixing time scales are similar to those of chemical reactions, resulting in potentially strong tracer-flow coupling effects. The strength of the Langmuir turbulence is varied, from no wave-driven turbulence (i.e., only shear-driven turbulence), to Langmuir turbulence that is much stronger than that found in typical upper ocean conditions. Three different carbonate chemistry models are also used in this study: time-dependent chemistry, equilibrium chemistry, and no-chemistry (i.e., non-reactive tracers). The third and final study described in this dissertation details the development of a reduced-order biogeochemical model with 17 state equations that can accurately reproduce the Bermuda Atlantic Time-series Study (BATS) ecosystem behavior, but that can also be integrated within high-resolution LES.

Subjects/Keywords: Fluid mechanics; Computational physics; Physical oceanography

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Smith, K. M. (2018). Effects of Submesoscale Turbulence on Reactive Tracers in the Upper Ocean. (Thesis). University of Colorado at Boulder. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=10623667

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Smith, Katherine Margaret. “Effects of Submesoscale Turbulence on Reactive Tracers in the Upper Ocean.” 2018. Thesis, University of Colorado at Boulder. Accessed August 19, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10623667.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Smith, Katherine Margaret. “Effects of Submesoscale Turbulence on Reactive Tracers in the Upper Ocean.” 2018. Web. 19 Aug 2018.

Vancouver:

Smith KM. Effects of Submesoscale Turbulence on Reactive Tracers in the Upper Ocean. [Internet] [Thesis]. University of Colorado at Boulder; 2018. [cited 2018 Aug 19]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10623667.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Smith KM. Effects of Submesoscale Turbulence on Reactive Tracers in the Upper Ocean. [Thesis]. University of Colorado at Boulder; 2018. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10623667

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

17. -9616-6165. Computational modeling of fluctuations and phase behavior in polymeric systems.

Degree: Chemical Engineering, 2015, University of Texas – Austin

URL: http://hdl.handle.net/2152/32359

► This research focuses on the computational modeling of fluctuations, interactions, phase behavior and structural characteristics of multicomponent polymeric systems. The role of fluctuations is studied… (more)

▼ This research focuses on the computational modeling of fluctuations, interactions, phase behavior and structural characteristics of multicomponent polymeric systems. The role of fluctuations is studied in the context of block copolymer melts and polymer blends stabilized using copolymers exhibiting different sequence architectures. The relationship between interparticle interactions and structural characteristics of the aggregates formed in particle-polymer solutions is examined for charged nanoparticle-polymer and charged dendrimer-polyelectrolyte system. A hybrid Monte Carlo and self consistent field theory approach employed in single chain in mean field simulations (SCMF) is utilized in order to achieve the equilibrium morphologies/aggregates in such polymeric systems. We examine the effect of composition fluctuations on the phase behavior of polydisperse block copolymer melts quantified in terms of fluctuation-induced shift in the order-disorder transition temperature from the corresponding mean-field predictions. Fluctuation effects can also play an important role in stabilizing bicontinuous microemulsions phases. To study this effect, we examine polymer blend systems compatibilized by a copolymer having different sequence architectures such as monodisperse and polydisperse block copolymer, and gradient copolymer. We systematically assess the efficiency of such system in forming bicontinuous microemulsions phases. We also study the effect of sequence architecture on the phase behavior of gradient copolymer solutions. We extend above framework to account for electrostatic effects arising from charged polymers and dendrimers. Using such a framework, we characterize the clusters formed due to electrostatic binding between oppositely charged dendrimers and polyelectrolytes. Our results indicate that, the binding is maximum when the charge on dendrimers is balanced by the charge on the polyelectrolytes. We extend the above study to probe the phase behavior of charged nanoparticles suspended in polymer solutions. We examine the influence of polymer concentration, particle volume fraction, and particle charge on the structure and size of clusters. We also examine the influence of multibody effects on the resulting structure of nanoparticle clusters. The charged nanoparticle-polymer solution is seen to exhibit significant multibody effects and the effective two-body interparticle potentials are seen to be a function of nanoparticle density. Advisors/Committee Members: Ganesan, Venkat (advisor), Ellison, Christopher (committee member), Sanchez, Isaac (committee member), Truskett, Thomas (committee member), Henkelman, Graeme (committee member), Johnston, Keith (committee member).

Subjects/Keywords: Fluctuations; Nanoparticle-polymer; Polymer physics; Computational modeling

11 more images…

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

-9616-6165. (2015). Computational modeling of fluctuations and phase behavior in polymeric systems. (Thesis). University of Texas – Austin. Retrieved from http://hdl.handle.net/2152/32359

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

-9616-6165. “Computational modeling of fluctuations and phase behavior in polymeric systems.” 2015. Thesis, University of Texas – Austin. Accessed August 19, 2018. http://hdl.handle.net/2152/32359.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

-9616-6165. “Computational modeling of fluctuations and phase behavior in polymeric systems.” 2015. Web. 19 Aug 2018.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete

Vancouver:

-9616-6165. Computational modeling of fluctuations and phase behavior in polymeric systems. [Internet] [Thesis]. University of Texas – Austin; 2015. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/2152/32359.

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

-9616-6165. Computational modeling of fluctuations and phase behavior in polymeric systems. [Thesis]. University of Texas – Austin; 2015. Available from: http://hdl.handle.net/2152/32359

Note: this citation may be lacking information needed for this citation format:
Author name may be incomplete
Not specified: Masters Thesis or Doctoral Dissertation

18. Capobianco, Vincent J. Effect of slot height variation on the aerodynamic performance of a circulation control airfoil| A CFD analysis.

Degree: 2017, California State University, Long Beach

URL: http://pqdtopen.proquest.com/#viewpdf?dispub=10639011

► Computational fluid dynamic (CFD) simulations were conducted on a known low aspect ratio wing design as well as four variant designs incorporating Coanda effect… (more)

Subjects/Keywords: Fluid mechanics; Computational physics; Aerospace engineering

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Capobianco, V. J. (2017). Effect of slot height variation on the aerodynamic performance of a circulation control airfoil| A CFD analysis. (Thesis). California State University, Long Beach. Retrieved from http://pqdtopen.proquest.com/#viewpdf?dispub=10639011

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Capobianco, Vincent J. “Effect of slot height variation on the aerodynamic performance of a circulation control airfoil| A CFD analysis.” 2017. Thesis, California State University, Long Beach. Accessed August 19, 2018. http://pqdtopen.proquest.com/#viewpdf?dispub=10639011.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Capobianco, Vincent J. “Effect of slot height variation on the aerodynamic performance of a circulation control airfoil| A CFD analysis.” 2017. Web. 19 Aug 2018.

Vancouver:

Capobianco VJ. Effect of slot height variation on the aerodynamic performance of a circulation control airfoil| A CFD analysis. [Internet] [Thesis]. California State University, Long Beach; 2017. [cited 2018 Aug 19]. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10639011.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Capobianco VJ. Effect of slot height variation on the aerodynamic performance of a circulation control airfoil| A CFD analysis. [Thesis]. California State University, Long Beach; 2017. Available from: http://pqdtopen.proquest.com/#viewpdf?dispub=10639011

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Central Lancashire

19. Soltani, Hamidreza. Development and application of real-time and interactive software for complex system.

Degree: PhD, 2016, University of Central Lancashire

URL: http://clok.uclan.ac.uk/20443/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.727072

► Soft materials have attracted considerable interest in recent years for predicting the characteristics of phase separation and self-assembly in nanoscale structures. A popular method for… (more)

▼ Soft materials have attracted considerable interest in recent years for predicting the characteristics of phase separation and self-assembly in nanoscale structures. A popular method for demonstrating and simulating the dynamic behaviour of particles (e.g. particle tracking) and to consider effects of simulation parameters is cell dynamic simulation (CDS). This is a cellular computerisation technique that can be used to investigate different aspects of morphological topographies of soft material systems. The acquisition of quantitative data from particles is a critical requirement in order to obtain a better understanding and of characterising their dynamic behaviour. To achieve this objective particle tracking methods considering quantitative data and focusing on different properties and components of particles is essential. Despite the availability of various types of particle tracking used in experimental work, there is no method available to consider uniform computational data. In order to achieve accurate and efficient computational results for cell dynamic simulation method and particle tracking, two factors are essential: computing/calculating time-scale and simulation system size. Consequently, finding available computing algorithms and resources such as sequential algorithm for implementing a complex technique and achieving precise results is critical and rather expensive. Therefore, it is highly desirable to consider a parallel algorithm and programming model to solve time-consuming and massive computational processing issues. Hence, the gaps between the experimental and computational works and solving time consuming for expensive computational calculations need to be filled in order to investigate a uniform computational technique for particle tracking and significant enhancements in speed and execution times. The work presented in this thesis details a new particle tracking method for integrating diblock copolymers in the form of spheres with a shear flow and a novel designed GPU-based parallel acceleration approach to cell dynamic simulation (CDS). In addition, the evaluation of parallel models and architectures (CPUs and GPUs) utilising the mixtures of application program interface, OpenMP and programming model, CUDA were developed. Finally, this study presents the performance enhancements achieved with GPU-CUDA of approximately ~2 times faster than multi-threading implementation and 13~14 times quicker than optimised sequential processing for the CDS computations/workloads respectively.

Subjects/Keywords: Computational physics; Computer science not elsewhere classified

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Soltani, H. (2016). Development and application of real-time and interactive software for complex system. (Doctoral Dissertation). University of Central Lancashire. Retrieved from http://clok.uclan.ac.uk/20443/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.727072

Chicago Manual of Style (16^th Edition):

Soltani, Hamidreza. “Development and application of real-time and interactive software for complex system.” 2016. Doctoral Dissertation, University of Central Lancashire. Accessed August 19, 2018. http://clok.uclan.ac.uk/20443/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.727072.

MLA Handbook (7^th Edition):

Soltani, Hamidreza. “Development and application of real-time and interactive software for complex system.” 2016. Web. 19 Aug 2018.

Vancouver:

Soltani H. Development and application of real-time and interactive software for complex system. [Internet] [Doctoral dissertation]. University of Central Lancashire; 2016. [cited 2018 Aug 19]. Available from: http://clok.uclan.ac.uk/20443/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.727072.

Council of Science Editors:

Soltani H. Development and application of real-time and interactive software for complex system. [Doctoral Dissertation]. University of Central Lancashire; 2016. Available from: http://clok.uclan.ac.uk/20443/ ; http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.727072

University of South Florida

20. Mclaughlin, Keith. Development of Improved Models for Gas Sorption Simulation.

Degree: 2013, University of South Florida

URL: http://scholarcommons.usf.edu/etd/4916

► Computational chemistry offers one the ability to develop a better understanding of the complex physical and chemical interactions that are fundamental to macro- and mesoscopic… (more)

Subjects/Keywords: Computational Chemistry; Computational Physics; Many-Body Potential; Molecular Modeling; Molecular Physics; Chemistry; Condensed Matter Physics; Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Mclaughlin, K. (2013). Development of Improved Models for Gas Sorption Simulation. (Thesis). University of South Florida. Retrieved from http://scholarcommons.usf.edu/etd/4916

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Mclaughlin, Keith. “Development of Improved Models for Gas Sorption Simulation.” 2013. Thesis, University of South Florida. Accessed August 19, 2018. http://scholarcommons.usf.edu/etd/4916.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Mclaughlin, Keith. “Development of Improved Models for Gas Sorption Simulation.” 2013. Web. 19 Aug 2018.

Vancouver:

Mclaughlin K. Development of Improved Models for Gas Sorption Simulation. [Internet] [Thesis]. University of South Florida; 2013. [cited 2018 Aug 19]. Available from: http://scholarcommons.usf.edu/etd/4916.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Mclaughlin K. Development of Improved Models for Gas Sorption Simulation. [Thesis]. University of South Florida; 2013. Available from: http://scholarcommons.usf.edu/etd/4916

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Northeastern University

21. Zhang, Jingyun. Scanning probe microscopy and computational simulation of polymers and biopolymers.

Degree: PhD, Department of Physics, 2011, Northeastern University

URL: http://hdl.handle.net/2047/d20001024

► In this thesis, polymer and biopolymer structure and dynamics were studied with scanning probe microscopy and computational simulation. In part 1, chapters 1-4, an image… (more)

Subjects/Keywords: physics; molecular physics; theoretical physics; computational simulation; Scanning probe microscopy; Polymers; Biopolymers; Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Zhang, J. (2011). Scanning probe microscopy and computational simulation of polymers and biopolymers. (Doctoral Dissertation). Northeastern University. Retrieved from http://hdl.handle.net/2047/d20001024

Chicago Manual of Style (16^th Edition):

Zhang, Jingyun. “Scanning probe microscopy and computational simulation of polymers and biopolymers.” 2011. Doctoral Dissertation, Northeastern University. Accessed August 19, 2018. http://hdl.handle.net/2047/d20001024.

MLA Handbook (7^th Edition):

Zhang, Jingyun. “Scanning probe microscopy and computational simulation of polymers and biopolymers.” 2011. Web. 19 Aug 2018.

Vancouver:

Zhang J. Scanning probe microscopy and computational simulation of polymers and biopolymers. [Internet] [Doctoral dissertation]. Northeastern University; 2011. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/2047/d20001024.

Council of Science Editors:

Zhang J. Scanning probe microscopy and computational simulation of polymers and biopolymers. [Doctoral Dissertation]. Northeastern University; 2011. Available from: http://hdl.handle.net/2047/d20001024

University of North Texas

22. Hedlof, Ryan. Artificially Structured Boundary for Control and Confinement of Beams and Plasmas.

Degree: 2018, University of North Texas

URL: https://digital.library.unt.edu/ark:/67531/metadc1157511/

► An artificially structured boundary (ASB) produces a short-range, static electromagnetic field that can reflect charged particles. In the work presented, an ASB is considered to… (more)

Subjects/Keywords: plasma physics; computational physics; antimatter; Physics, Fluid and Plasma; Physics, Electricity and Magnetism

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Hedlof, R. (2018). Artificially Structured Boundary for Control and Confinement of Beams and Plasmas. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1157511/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Hedlof, Ryan. “Artificially Structured Boundary for Control and Confinement of Beams and Plasmas.” 2018. Thesis, University of North Texas. Accessed August 19, 2018. https://digital.library.unt.edu/ark:/67531/metadc1157511/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Hedlof, Ryan. “Artificially Structured Boundary for Control and Confinement of Beams and Plasmas.” 2018. Web. 19 Aug 2018.

Vancouver:

Hedlof R. Artificially Structured Boundary for Control and Confinement of Beams and Plasmas. [Internet] [Thesis]. University of North Texas; 2018. [cited 2018 Aug 19]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1157511/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Hedlof R. Artificially Structured Boundary for Control and Confinement of Beams and Plasmas. [Thesis]. University of North Texas; 2018. Available from: https://digital.library.unt.edu/ark:/67531/metadc1157511/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Kansas

23. Symons, Teresa Anne. photPARTY: Python Automated Square-Aperture Photometry.

Degree: MS, Physics & Astronomy, 2017, University of Kansas

URL: http://hdl.handle.net/1808/25830

► As CCD’s have drastically increased the amount of information recorded per frame, so too have they increased the time and effort needed to sift through… (more)

Subjects/Keywords: Astronomy; Computer science; Physics; astronomy; computational physics; photometry; python

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Symons, T. A. (2017). photPARTY: Python Automated Square-Aperture Photometry. (Masters Thesis). University of Kansas. Retrieved from http://hdl.handle.net/1808/25830

Chicago Manual of Style (16^th Edition):

Symons, Teresa Anne. “photPARTY: Python Automated Square-Aperture Photometry.” 2017. Masters Thesis, University of Kansas. Accessed August 19, 2018. http://hdl.handle.net/1808/25830.

MLA Handbook (7^th Edition):

Symons, Teresa Anne. “photPARTY: Python Automated Square-Aperture Photometry.” 2017. Web. 19 Aug 2018.

Vancouver:

Symons TA. photPARTY: Python Automated Square-Aperture Photometry. [Internet] [Masters thesis]. University of Kansas; 2017. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/1808/25830.

Council of Science Editors:

Symons TA. photPARTY: Python Automated Square-Aperture Photometry. [Masters Thesis]. University of Kansas; 2017. Available from: http://hdl.handle.net/1808/25830

Georgia Tech

24. Rajendar, Ashok. Multifluid Magnetohydrodynamic Investigation of the Global Dynamics of Saturn's Magnetosphere.

Degree: PhD, Earth and Atmospheric Sciences, 2015, Georgia Tech

URL: http://hdl.handle.net/1853/56222

► The dynamics of Saturn's magnetosphere are driven internally by the planet's strong magnetic field, rapid rotation rate, and inner-magnetosphere plasma source, and externally by the… (more)

▼ The dynamics of Saturn's magnetosphere are driven internally by the planet's strong magnetic field, rapid rotation rate, and inner-magnetosphere plasma source, and externally by the solar wind. We use a multifluid magnetohydrodynamic simulation of Saturn's magnetosphere to investigate the production and transport of new plasma, the dynamics of Saturn's magnetotail, and response to seasonal variation. Saturn's closely aligned magnetic dipole and rotational axes are inclined 26.7° relative to the plane of its orbit. As a result, the magnetospheric morphology is strongly influenced by the solar wind; the plasma sheet is deformed into a "basin" at solstice, with decreasing curvature as the planet approaches equinox. Internally, new water group plasma is produced by ionization of Saturn's distributed neutral cloud, while charge-exchange collisions between magnetospheric ions and neutrals result in a loss of momentum from the plasma. New plasma is accelerated towards corotation by the magnetic field, while centrifugal stresses cause it to move radially outward. In order to prevent runaway inflation of the magnetosphere, this plasma must eventually escape, either through the flanks or down the magnetotail. The Saturn multifluid model features three ion species (protons, water group ions, and a heavy tracer), allowing us to track the dynamics of each ion species, as well as the evolution of the electron pressure. We have modified the simulation to include neutral cloud interactions, specifically photoionization, electron impact ionization, and symmetric charge exchange, enabling simulation of mass-loading as a function of local plasma variables. Our 3D multifluid global simulation provides global context for in-situ observations, which, while valuable, only provide data from a single spatial location at a given time. We use this model to study the production and outflow of plasma in the inner magnetosphere, as well as the characteristics of inward-moving outer-magnetosphere injection fingers. We also investigate the impact of seasonal changes on the global magnetospheric configuration and dynamics, as well as the plasma production and transport processes in the inner and middle magnetosphere. Finally, we investigate the evolution of plasmoids and their possible role in removing inner magnetosphere plasma. We validate our results using data from the Cassini Plasma Spectrometer and Magnetometer instruments (CAPS and MAG). Advisors/Committee Members: Paty, Carol S. (advisor), Dufek, Josef D. (committee member), Simon, Sven (committee member), Walker, Mitchell L. R. (committee member), Wray, James J. (committee member).

Subjects/Keywords: Saturn; magnetosphere; plasma physics; planetary science; computational plasma physics; numerical modeling

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Rajendar, A. (2015). Multifluid Magnetohydrodynamic Investigation of the Global Dynamics of Saturn's Magnetosphere. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/56222

Chicago Manual of Style (16^th Edition):

Rajendar, Ashok. “Multifluid Magnetohydrodynamic Investigation of the Global Dynamics of Saturn's Magnetosphere.” 2015. Doctoral Dissertation, Georgia Tech. Accessed August 19, 2018. http://hdl.handle.net/1853/56222.

MLA Handbook (7^th Edition):

Rajendar, Ashok. “Multifluid Magnetohydrodynamic Investigation of the Global Dynamics of Saturn's Magnetosphere.” 2015. Web. 19 Aug 2018.

Vancouver:

Rajendar A. Multifluid Magnetohydrodynamic Investigation of the Global Dynamics of Saturn's Magnetosphere. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/1853/56222.

Council of Science Editors:

Rajendar A. Multifluid Magnetohydrodynamic Investigation of the Global Dynamics of Saturn's Magnetosphere. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/56222

University of Arizona

25. Freeman, Walter. Measuring the Nucleon Strangeness and Related Matrix Elements Using Lattice QCD .

Degree: 2011, University of Arizona

URL: http://hdl.handle.net/10150/202951

► We calculate the strange quark content of the nucleon, − <0|ss|0> using a novel method with the MILC lattice QCD gauge ensembles. The strangeness of… (more)

Subjects/Keywords: MILC; Nucleon strangeness; Quark condensate; Physics; Computational physics; Lattice QCD

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Freeman, W. (2011). Measuring the Nucleon Strangeness and Related Matrix Elements Using Lattice QCD . (Doctoral Dissertation). University of Arizona. Retrieved from http://hdl.handle.net/10150/202951

Chicago Manual of Style (16^th Edition):

Freeman, Walter. “Measuring the Nucleon Strangeness and Related Matrix Elements Using Lattice QCD .” 2011. Doctoral Dissertation, University of Arizona. Accessed August 19, 2018. http://hdl.handle.net/10150/202951.

MLA Handbook (7^th Edition):

Freeman, Walter. “Measuring the Nucleon Strangeness and Related Matrix Elements Using Lattice QCD .” 2011. Web. 19 Aug 2018.

Vancouver:

Freeman W. Measuring the Nucleon Strangeness and Related Matrix Elements Using Lattice QCD . [Internet] [Doctoral dissertation]. University of Arizona; 2011. [cited 2018 Aug 19]. Available from: http://hdl.handle.net/10150/202951.

Council of Science Editors:

Freeman W. Measuring the Nucleon Strangeness and Related Matrix Elements Using Lattice QCD . [Doctoral Dissertation]. University of Arizona; 2011. Available from: http://hdl.handle.net/10150/202951

University of Vienna

26. Liebetreu, Maximilian. Conformations and dynamics of polymers of different topologies under shear.

Degree: 2016, University of Vienna

URL: http://othes.univie.ac.at/43039/

►

Ziel der Masterarbeit ist die Bestimmung der Konformationen und dynamischen Moden von Polymeren unterschiedlicher Topologie in einem Scherung ausgesetzten Fluid. Das simulierte Fluid wird auf… (more)

▼

Ziel der Masterarbeit ist die Bestimmung der Konformationen und dynamischen Moden von Polymeren unterschiedlicher Topologie in einem Scherung ausgesetzten Fluid. Das simulierte Fluid wird auf charakteristische Eigenschaften getestet. Das Verhalten linearer, ringförmiger und vor allem 3-1-(Trefoil-)verknoteter Polymere in einem Scherung ausgesetzten Fluid wird analysiert. Die Simulation des Fluids erfolgt unter Berücksichtigung der Hydrodynamik, die Integration der Bewegungsgleichungen des Polymers folgt dem für die Molekulardynamik gebräuchlichen Velocity-Verlet-Algorithmus. Zur Berechnung des Fluids wird der Hybridansatz der Multi-Particle Collision Dynamics (MPCD) aufgesetzt, getestet und angewendet. Die Methode bietet eine effiziente und akkurate Kopplung der Polymerdynamik mit der Hydrodynamik des Lösungsmittels. Das Hauptaugenmerk liegt auf dem Zusammenhang zwischen Knotengröße und Winkel zwischen Knotenmittelpunkt und Hauptorientierungsachse relativ zum Polymerschwerpunkt, sowie auf der Bestimmung charakteristischer Formparameter unter Anwesenheit des Knotens im Vergleich mit Ringpolymeren ohne Knoten, jeweils in Abhängigkeit der Weissenbergzahl. Unsere Ergebnisse suggerieren, dass Knoten auf dem 3-1-verknoteten Ring bei hoher Weissenbergzahl eine Tendenz entwickeln, an einem von beiden Enden des Polymers lokalisiert zu sein, parallel zur Flussrichtung. Die mittlere Zahl Beads, welche Teil des Knotens sind, sinkt mit steigender Scherung. Zusätzlich zeigt sich, dass der 3-1-verknotete Ring im Bezug auf Formparameter schneller auf wachsende Scherung reagiert, als gewöhnliche Ringe mit derselben Anzahl von Beads.

The purpose of this Master's Thesis is the calculation of conformations and dynamic modes of polymers of different topologies embedded in a fluid under shear. The simulated fluid is tested for characteristic values. The behavior of linear, circular and, most importantly, 3-1 (trefoil) knotted polymers embedded in the sheared fluid is analysed. The fluid is simulated in agreement with hydrodynamics, the integration of the polymer's equations of motion obeys the Velocity-Verlet algorithm, which is commonly used for molecular dynamics. For reasons of efficiency, the hybrid approach of Multi-Particle Collision Dynamics (MPCD) is set up, tested and employed to compute the fluid. This method provides an efficient and accurate coupling of the polymer's molecular dynamics to the solvent's hydrodynamics. The focus lies on the correlation between knot size and angle between knot center of mass and first principal axis relative to the polymer's center of mass, as well as computation of characteristic shape parameters in presence of a knot in comparison to cyclic polymers without knots, each in dependency of Weissenberg number. We obtain evidence that for the 3-1-knotted ring at high Weissenberg number, knots develop a tendency to be located at either end of the polymer, aligned with the flow. We also find that the average number of beads on the knot decreases with increasing shear.…

Subjects/Keywords: 33.90 Physik in Beziehung zu anderen Fachgebieten; 33.79 Kondensierte Materie: Sonstiges; 33.69 Flüssigkeiten; Knoten / verknotete Polymere / Scherung / Scherfluss / Computergestützte Physik / Trefoil / Ringpolymer / Ring / Hydrodynamik / MPCD / Makromolekül; Knots / knotted polymers / shear / shear flow / computational physics / trefoil / ring polymer / ring / hydrodynamics / MPCD / macromolecule

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Liebetreu, M. (2016). Conformations and dynamics of polymers of different topologies under shear. (Thesis). University of Vienna. Retrieved from http://othes.univie.ac.at/43039/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Liebetreu, Maximilian. “Conformations and dynamics of polymers of different topologies under shear.” 2016. Thesis, University of Vienna. Accessed August 19, 2018. http://othes.univie.ac.at/43039/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Liebetreu, Maximilian. “Conformations and dynamics of polymers of different topologies under shear.” 2016. Web. 19 Aug 2018.

Vancouver:

Liebetreu M. Conformations and dynamics of polymers of different topologies under shear. [Internet] [Thesis]. University of Vienna; 2016. [cited 2018 Aug 19]. Available from: http://othes.univie.ac.at/43039/.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Liebetreu M. Conformations and dynamics of polymers of different topologies under shear. [Thesis]. University of Vienna; 2016. Available from: http://othes.univie.ac.at/43039/

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

27. Lima, Filipe Camargo Dalmatti Alves. Modelagem ab initio da interação proteína-carboidrato.

Degree: Mestrado, Física, 2010, University of São Paulo

URL: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-21102010-110913/ ;

►

A Frutalina é uma proteína tetramérica ligante de carboidratos obtida através de sementes Artocarpus incisa. Os interesses biomédicos da Frutalina estão em sua alta afnidade… (more)

▼

A Frutalina é uma proteína tetramérica ligante de carboidratos obtida através de sementes Artocarpus incisa. Os interesses biomédicos da Frutalina estão em sua alta afnidade de ligação por carboidratos presentes em algumas células tumorais específicas. Até agora, nenhum estudo teórico computacional foi realizado para investigar as características de ligação da Frutalina. Neste trabalho, através de um estudo multidisciplinar, investigamos as propriedades de ligação e óticas da Frutalina com carboidratos. Utilizamos um modelo-corte teórico, considerando apenas o sítio ativo de ligação com o carboidrato construído com o auxílio de docking molecular e mecânica molecular clássica. As energias de ligação são obtidas através de uma abordagem quântica ab initio all electron, dentro da Teoria do Funcional da Densidade (DFT), no espaço recíproco que combina o método Projector Augmented Waves (PAW) e a dinâmica molecular de Car-Parrinello (CP). Uma metodologia Hartree-Fock (HF) semi-empírica é utilizada para obter as propriedades óticas. A investigação deste problema muito complexo pode ser dividido em seis etapas principais: a) estudamos as propriedades estruturais da proteína para avaliar a sua mobilidade e escolhemos um conjunto de dados de raios-X para descrever o sistema; b) aplicamos a técnica de docking molecular para ligar quatro carboidratos ( alfa-metil-D-galactose, beta-D-galactose, O1-metil-manose e alfa-metil-D-glucopiranose) na proteína; c) otimizamos a geometria do sistema lectina-carboidrato utilizando mecânica molecular clássica; d) criamos o modelo-corte ; e) investigamos as propriedades óticas utilizando HF; f) estudamos as propriedades eletrônicas do sistema proteína-carboidrato e calculamos energias de ligação através do cálculo DFT. O modelo aqui proposto, além de apresentar uma adequada concordância com dados experimentais, abre a possibilidade de investigar propriedades eletrônicas através de uma abordagem quântica estado da arte na área de estrutura eletrônica.

Frutalin is a tetrameric carbohydrate-binding protein obtained from breadfruit seeds. Biomedical interest on Frutalin comes from the high afinity exhibited by these molecules toward carbohydrates expressed by specific tumor cells. So far, no theoretical computational studies have been carried out to investigate the binding characteristics of frutalin, which is probably due to the large number of atoms that should be considered for in silicon calculations. We investigate the binding of frutalin and optical properties with specific carbohydrate molecules using a theoretical cutmodel considering only the carbohydrate binding site. This model has been constructed with the aid of molecular docking and classical molecular mechanics. We use the ab initio all electron reciprocal space Projector Augmented Waves (PAW) method and the Car-Parrinello scheme as embodied in the CP-PAW code to obtain the binding energies. To evaluate the optical properties, we employed the Hartree-Fock Semi-empirical ZINDO method from the Materials Studio 4.0…

Advisors/Committee Members: Petrilli, Helena Maria.

Subjects/Keywords: Biofísica; Biophysics; Computational physics; Condensed matter physics; Física; Física computacional; Física da matéria condensada; Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Lima, F. C. D. A. (2010). Modelagem ab initio da interação proteína-carboidrato. (Masters Thesis). University of São Paulo. Retrieved from http://www.teses.usp.br/teses/disponiveis/43/43134/tde-21102010-110913/ ;

Chicago Manual of Style (16^th Edition):

Lima, Filipe Camargo Dalmatti Alves. “Modelagem ab initio da interação proteína-carboidrato.” 2010. Masters Thesis, University of São Paulo. Accessed August 19, 2018. http://www.teses.usp.br/teses/disponiveis/43/43134/tde-21102010-110913/ ;.

MLA Handbook (7^th Edition):

Lima, Filipe Camargo Dalmatti Alves. “Modelagem ab initio da interação proteína-carboidrato.” 2010. Web. 19 Aug 2018.

Vancouver:

Lima FCDA. Modelagem ab initio da interação proteína-carboidrato. [Internet] [Masters thesis]. University of São Paulo; 2010. [cited 2018 Aug 19]. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-21102010-110913/ ;.

Council of Science Editors:

Lima FCDA. Modelagem ab initio da interação proteína-carboidrato. [Masters Thesis]. University of São Paulo; 2010. Available from: http://www.teses.usp.br/teses/disponiveis/43/43134/tde-21102010-110913/ ;

University of California – San Diego

28. Kaardal, Joel Thomas. Decoding the computations of sensory neurons.

Degree: Physics, 2017, University of California – San Diego

URL: http://www.escholarship.org/uc/item/0fb2j6m7

► The nervous system encodes information about external stimuli through sophisticated computations performed by vast networks of sensory neurons. Since the space of all possible stimuli… (more)

Subjects/Keywords: Neurosciences; Computational physics; auditory cortex; biophysics; computational neuroscience; neural coding; receptive field; retina

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Kaardal, J. T. (2017). Decoding the computations of sensory neurons. (Thesis). University of California – San Diego. Retrieved from http://www.escholarship.org/uc/item/0fb2j6m7

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Kaardal, Joel Thomas. “Decoding the computations of sensory neurons.” 2017. Thesis, University of California – San Diego. Accessed August 19, 2018. http://www.escholarship.org/uc/item/0fb2j6m7.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Kaardal, Joel Thomas. “Decoding the computations of sensory neurons.” 2017. Web. 19 Aug 2018.

Vancouver:

Kaardal JT. Decoding the computations of sensory neurons. [Internet] [Thesis]. University of California – San Diego; 2017. [cited 2018 Aug 19]. Available from: http://www.escholarship.org/uc/item/0fb2j6m7.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Kaardal JT. Decoding the computations of sensory neurons. [Thesis]. University of California – San Diego; 2017. Available from: http://www.escholarship.org/uc/item/0fb2j6m7

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

UCLA

29. Crose, Marquis Grant. Multiscale Computational Fluid Dynamics Modeling: Parallelization and Application to Design and Control of Plasma-Enhanced Chemical Vapor Deposition of Thin Film Solar Cells.

Degree: Chemical Engineering, 2018, UCLA

URL: http://www.escholarship.org/uc/item/7c26z2d3

► Today, plasma-enhanced chemical vapor deposition (PECVD) remains the dominant processing method for the manufacture of silicon thin films due to inexpensive production and low operating… (more)

▼ Today, plasma-enhanced chemical vapor deposition (PECVD) remains the dominant processing method for the manufacture of silicon thin films due to inexpensive production and low operating temperatures. Nonetheless, thickness non-uniformity continues to prevent the deposition of high quality thin film layers across large wafer substrates; thickness deviations up to 20% are typical for 200 mm and above wafers. Regardless of industry, be it solar cell production or microelectronic devices, the demand for densely packed die with high quality creates a need for improved modeling and operational strategies. Over the past two decades, a number of research groups have built microscopic models for thin film growth, as well as macroscopic reactor models to approximate the gas phase reaction and transport phenomena present within PECVD systems. Unfortunately, many of the proposed modeling and simulation techniques have been overly simplified in order to reduce computational demands, or fail to capture both the macro- and microscopic domains simultaneously. In order to address persistent issues related to thickness non-uniformity in silicon processing, advanced multiscale models are needed.Motivated by these considerations, novel reactor modeling and operational control strategies are developed in this dissertation. Specifically, a macroscopic reactor scale model is presented which captures the creation of a radio frequency (RF) plasma, transport throughout the reactor domain, and thirty-four dominant plasma-phase reactions. In Chapters 2 and 3, the gas-phase dynamics are approximated using a first principles-based model, whereas the latter half of this dissertation relies on a computational fluid dynamics approach. At the microscopic scale, the complex particle interactions that define the growth of a-Si:H thin film layers are tracked using a hybrid kinetic Monte Carlo algorithm. These scales are linked via a dynamic boundary condition which is updated at the completion of each time step. A computationally efficient parallel programming scheme allows for significantly shortened computational times and solutions to previously infeasible system sizes. Transient batch deposition cycles using the aforementioned multiscale model provide new insight into the operation of PECVD systems; spatial non-uniformity in the concentration of SiH3 and H above the substrate surface is recognized as the primary mechanism responsible for non-uniform thin film product thicknesses. Two key modes are identified to address the aforementioned non-uniformity: (1) run-to-run control of the wafer substrate temperature through the adaptation of an exponentially-weighted moving average algorithm, and (2) the design of new CVD geometries which minimize spatial variations in the concentration of deposition species. These efforts have resulted in optimized PECVD showerhead designs and spatial temperature profiles which limit the thin film thickness non-uniformity to within 1% of the product specification.

Subjects/Keywords: Chemical engineering; Computational chemistry; Computational physics; Computational fluid dynamics; Multiscale modeling; Parallel programming; PECVD; Process Control

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Crose, M. G. (2018). Multiscale Computational Fluid Dynamics Modeling: Parallelization and Application to Design and Control of Plasma-Enhanced Chemical Vapor Deposition of Thin Film Solar Cells. (Thesis). UCLA. Retrieved from http://www.escholarship.org/uc/item/7c26z2d3

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Chicago Manual of Style (16^th Edition):

Crose, Marquis Grant. “Multiscale Computational Fluid Dynamics Modeling: Parallelization and Application to Design and Control of Plasma-Enhanced Chemical Vapor Deposition of Thin Film Solar Cells.” 2018. Thesis, UCLA. Accessed August 19, 2018. http://www.escholarship.org/uc/item/7c26z2d3.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

MLA Handbook (7^th Edition):

Crose, Marquis Grant. “Multiscale Computational Fluid Dynamics Modeling: Parallelization and Application to Design and Control of Plasma-Enhanced Chemical Vapor Deposition of Thin Film Solar Cells.” 2018. Web. 19 Aug 2018.

Vancouver:

Crose MG. Multiscale Computational Fluid Dynamics Modeling: Parallelization and Application to Design and Control of Plasma-Enhanced Chemical Vapor Deposition of Thin Film Solar Cells. [Internet] [Thesis]. UCLA; 2018. [cited 2018 Aug 19]. Available from: http://www.escholarship.org/uc/item/7c26z2d3.

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

Council of Science Editors:

Crose MG. Multiscale Computational Fluid Dynamics Modeling: Parallelization and Application to Design and Control of Plasma-Enhanced Chemical Vapor Deposition of Thin Film Solar Cells. [Thesis]. UCLA; 2018. Available from: http://www.escholarship.org/uc/item/7c26z2d3

Note: this citation may be lacking information needed for this citation format:
Not specified: Masters Thesis or Doctoral Dissertation

University of Colorado

30. Sharma, Ashesh. Advances in Design and Optimization Using Immersed Boundary Methods.

Degree: PhD, 2017, University of Colorado

URL: https://scholar.colorado.edu/asen_gradetds/190

► This thesis is concerned with topology optimization which provides engineers with a systematic approach to optimize the layout and geometry of a structure against… (more)

▼ This thesis is concerned with topology optimization which provides engineers with a systematic approach to optimize the layout and geometry of a structure against various design criteria. Traditional topology optimization uses density-based methods to capture topological changes in geometry. Density-based methods describe a structural layout using artificial elemental densities. To obtain a good resolution of the geometry, fine meshes are required. This however leads to large computational costs in 3D. Using coarser but practical meshes results in blurred structural boundaries and unreliable prediction of physical response along those boundaries. Using immersed boundary methods instead, such as the extended finite element method (XFEM), alleviates these issues. The XFEM provides clear description of the geometry, and approximation of the physical response along boundaries has been shown to converge to the approximation using body-fitted meshes. This thesis focuses on the use of XFEM for topology optimization. Design geometry in this thesis is tracked precisely using the level set method (LSM). The LSM-XFEM approach is used to solve variety of multiphysics design and optimization problems. However, being a relatively new field of study the LSM-XFEM approach continues to pose many interesting challenges limiting its applicability to topology optimization. The goal of this thesis is to present advances made towards making LSM-XFEM more viable and reliable for design and optimization of multiphysics problems. Specifically, i) The numerical behavior of XFEM-based shape sensitivities has not yet been investigated. This thesis presents a first-of-its kind study on the numerical behavior of shape sensitivities using the XFEM. ii) The matter of overestimation of stresses using the XFEM, a longstanding issue with no concrete resolution available in the literature, is addressed for robust stress-based optimization. iii) LSM-based topology optimization is known to suffer from slow design evolution resulting from localized sensitivities. A recently proposed concept of geometric primitives as design variables alleviates this issue. Literature on this concept has been restricted to single material problems using linear elasticity. Using the XFEM, this thesis extends the concept of geometric primitives as design variables to multiphase multiphysics problems in 3D. Advisors/Committee Members: Kurt K. Mautre, John A. Evans, Alireza Doostan, Carlos A. Felippa, Franck Vernerey.

Subjects/Keywords: computational mechanics; level set method; shape sensitivities; stress stabilization; topology optimization; XFEM; computational physics; Applied Mathematics; Engineering; Other Physics

Record Details Similar Records Cite « Share

❌

APA · Chicago · MLA · Vancouver · CSE | Export to Zotero / EndNote / Reference Manager

APA (6^th Edition):

Sharma, A. (2017). Advances in Design and Optimization Using Immersed Boundary Methods. (Doctoral Dissertation). University of Colorado. Retrieved from https://scholar.colorado.edu/asen_gradetds/190

Chicago Manual of Style (16^th Edition):

Sharma, Ashesh. “Advances in Design and Optimization Using Immersed Boundary Methods.” 2017. Doctoral Dissertation, University of Colorado. Accessed August 19, 2018. https://scholar.colorado.edu/asen_gradetds/190.

MLA Handbook (7^th Edition):

Sharma, Ashesh. “Advances in Design and Optimization Using Immersed Boundary Methods.” 2017. Web. 19 Aug 2018.

Vancouver:

Sharma A. Advances in Design and Optimization Using Immersed Boundary Methods. [Internet] [Doctoral dissertation]. University of Colorado; 2017. [cited 2018 Aug 19]. Available from: https://scholar.colorado.edu/asen_gradetds/190.

Council of Science Editors:

Sharma A. Advances in Design and Optimization Using Immersed Boundary Methods. [Doctoral Dissertation]. University of Colorado; 2017. Available from: https://scholar.colorado.edu/asen_gradetds/190

Open Access Theses and Dissertations