subject:(Statistical Nonlinear AND Soft Matter Physics)

Northeastern University

1. Halu, Arda. Dynamics of and on complex networks.

Degree: PhD, Department of Physics, 2014, Northeastern University

URL: http://hdl.handle.net/2047/d20004937

► Complex networks are dynamic, evolving structures that can host a great number of dynamical processes. In this thesis, we address current challenges regarding the dynamics… (more)

▼ Complex networks are dynamic, evolving structures that can host a great number of dynamical processes. In this thesis, we address current challenges regarding the dynamics of and dynamical processes on complex networks. First, we study complex network dynamics from the standpoint of network growth. As a quantitative measure of the complexity and information content of networks generated by growing network models, we define and evaluate their entropy rate. We propose stochastic growth models inspired by the duplication-divergence mechanism to generate epistatic interaction networks and find that they exhibit the property of monochromaticity as a result of their dynamical evolution. Second, we explore the dynamics of quantum mechanical processes on complex networks. We investigate the Bose-Hubbard model on annealed and quenched scale-free networks as well as Apollonian networks and show that their phase diagram changes significantly in the presence of complex topologies, depending on the second degree of the degree distribution and the maximal eigenvalue of the adjacency matrix. We then study the Jaynes-Cummings-Hubbard model on various complex topologies and demonstrate the importance of the maximal eigenvalue of the hopping matrix in determining the phase diagram of the model. Third, we investigate dynamical processes on interacting and multiplex networks. We study opinion dynamics in a simulated setting of two antagonistically interacting networks and recover the importance of connectivity and committed agents. We propose a multiplex centrality measure that takes into account the connectivity patterns within and across different layers and find that the dynamics of biased random walks on multiplex networks gives rise to a centrality ranking that is different from univariate centrality measures. Finally, we study the statistical mechanics of multilayered spatial networks and demonstrate the emergence of significant link overlap and improved navigability in multiplex and interacting spatial networks.

Subjects/Keywords: Network Science; Statistical Physics; Physics; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Halu, A. (2014). Dynamics of and on complex networks. (Doctoral Dissertation). Northeastern University. Retrieved from http://hdl.handle.net/2047/d20004937

Chicago Manual of Style (16^th Edition):

Halu, Arda. “Dynamics of and on complex networks.” 2014. Doctoral Dissertation, Northeastern University. Accessed January 25, 2020. http://hdl.handle.net/2047/d20004937.

MLA Handbook (7^th Edition):

Halu, Arda. “Dynamics of and on complex networks.” 2014. Web. 25 Jan 2020.

Vancouver:

Halu A. Dynamics of and on complex networks. [Internet] [Doctoral dissertation]. Northeastern University; 2014. [cited 2020 Jan 25]. Available from: http://hdl.handle.net/2047/d20004937.

Council of Science Editors:

Halu A. Dynamics of and on complex networks. [Doctoral Dissertation]. Northeastern University; 2014. Available from: http://hdl.handle.net/2047/d20004937

University of New Mexico

2. Chase, Matthew. Memory Effects in Brownian Motion, Random Walks under Confining Potentials, and Relaxation of Quantum Systems.

Degree: Physics & Astronomy, 2016, University of New Mexico

URL: https://digitalrepository.unm.edu/phyc_etds/106

► This dissertation is a report on a number of distinct topics in the field of non-equilibrium statistical mechanics including the evolution of classical as… (more)

Subjects/Keywords: Astrophysics and Astronomy; Physics; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Chase, M. (2016). Memory Effects in Brownian Motion, Random Walks under Confining Potentials, and Relaxation of Quantum Systems. (Doctoral Dissertation). University of New Mexico. Retrieved from https://digitalrepository.unm.edu/phyc_etds/106

Chicago Manual of Style (16^th Edition):

Chase, Matthew. “Memory Effects in Brownian Motion, Random Walks under Confining Potentials, and Relaxation of Quantum Systems.” 2016. Doctoral Dissertation, University of New Mexico. Accessed January 25, 2020. https://digitalrepository.unm.edu/phyc_etds/106.

MLA Handbook (7^th Edition):

Chase, Matthew. “Memory Effects in Brownian Motion, Random Walks under Confining Potentials, and Relaxation of Quantum Systems.” 2016. Web. 25 Jan 2020.

Vancouver:

Chase M. Memory Effects in Brownian Motion, Random Walks under Confining Potentials, and Relaxation of Quantum Systems. [Internet] [Doctoral dissertation]. University of New Mexico; 2016. [cited 2020 Jan 25]. Available from: https://digitalrepository.unm.edu/phyc_etds/106.

Council of Science Editors:

Chase M. Memory Effects in Brownian Motion, Random Walks under Confining Potentials, and Relaxation of Quantum Systems. [Doctoral Dissertation]. University of New Mexico; 2016. Available from: https://digitalrepository.unm.edu/phyc_etds/106

University of Tennessee – Knoxville

3. Holt, Adam Prillaman. The Effect of Attractive Polymer-Nanoparticle Interactions on the Local Segmental Dynamics of Polymer Nanocomposites.

Degree: 2016, University of Tennessee – Knoxville

URL: https://trace.tennessee.edu/utk_graddiss/3862

► Considerable progress has been made in understanding the miscibility and morphology of polymer nanocomposites (PNCs). However, to date, there is little understood concerning the modification… (more)

Subjects/Keywords: polymers; polymer nanocomposites; glass transition; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Holt, A. P. (2016). The Effect of Attractive Polymer-Nanoparticle Interactions on the Local Segmental Dynamics of Polymer Nanocomposites. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/3862

Chicago Manual of Style (16^th Edition):

Holt, Adam Prillaman. “The Effect of Attractive Polymer-Nanoparticle Interactions on the Local Segmental Dynamics of Polymer Nanocomposites.” 2016. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed January 25, 2020. https://trace.tennessee.edu/utk_graddiss/3862.

MLA Handbook (7^th Edition):

Holt, Adam Prillaman. “The Effect of Attractive Polymer-Nanoparticle Interactions on the Local Segmental Dynamics of Polymer Nanocomposites.” 2016. Web. 25 Jan 2020.

Vancouver:

Holt AP. The Effect of Attractive Polymer-Nanoparticle Interactions on the Local Segmental Dynamics of Polymer Nanocomposites. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2016. [cited 2020 Jan 25]. Available from: https://trace.tennessee.edu/utk_graddiss/3862.

Council of Science Editors:

Holt AP. The Effect of Attractive Polymer-Nanoparticle Interactions on the Local Segmental Dynamics of Polymer Nanocomposites. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2016. Available from: https://trace.tennessee.edu/utk_graddiss/3862

University of Western Ontario

4. Changizrezaei, Setarehalsadat. Simulation of Heterogeneous Colloidal Particles Immersed in Liquid Crystals.

Degree: 2016, University of Western Ontario

URL: https://ir.lib.uwo.ca/etd/3670

► This thesis describes an investigation of interactions between colloidal particles immersed in a liquid crystal. The presence of colloidal particles in the liquid crystal distorts… (more)

Subjects/Keywords: Liquid Crystal; Lattice Boltzmann; Condensed Matter Physics; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Changizrezaei, S. (2016). Simulation of Heterogeneous Colloidal Particles Immersed in Liquid Crystals. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/3670

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):

Changizrezaei, Setarehalsadat. “Simulation of Heterogeneous Colloidal Particles Immersed in Liquid Crystals.” 2016. Thesis, University of Western Ontario. Accessed January 25, 2020. https://ir.lib.uwo.ca/etd/3670.

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

MLA Handbook (7^th Edition):

Changizrezaei, Setarehalsadat. “Simulation of Heterogeneous Colloidal Particles Immersed in Liquid Crystals.” 2016. Web. 25 Jan 2020.

Vancouver:

Changizrezaei S. Simulation of Heterogeneous Colloidal Particles Immersed in Liquid Crystals. [Internet] [Thesis]. University of Western Ontario; 2016. [cited 2020 Jan 25]. Available from: https://ir.lib.uwo.ca/etd/3670.

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

Council of Science Editors:

Changizrezaei S. Simulation of Heterogeneous Colloidal Particles Immersed in Liquid Crystals. [Thesis]. University of Western Ontario; 2016. Available from: https://ir.lib.uwo.ca/etd/3670

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

Embry-Riddle Aeronautical University

5. Kitchen-McKinley, Samuel J. Variable Structure Feedback Control with Application to Spacecraft with Small Thrust Propulsion Systems.

Degree: PhD, Physical Sciences, 2017, Embry-Riddle Aeronautical University

URL: https://commons.erau.edu/edt/357

► Small spacecrafts requiring small propulsion systems are becoming more popular for low Earth orbit. It is important for these research satellites to have accurate… (more)

Subjects/Keywords: Aerospace Engineering; Engineering Physics; Propulsion and Power; Space Vehicles; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Kitchen-McKinley, S. J. (2017). Variable Structure Feedback Control with Application to Spacecraft with Small Thrust Propulsion Systems. (Doctoral Dissertation). Embry-Riddle Aeronautical University. Retrieved from https://commons.erau.edu/edt/357

Chicago Manual of Style (16^th Edition):

Kitchen-McKinley, Samuel J. “Variable Structure Feedback Control with Application to Spacecraft with Small Thrust Propulsion Systems.” 2017. Doctoral Dissertation, Embry-Riddle Aeronautical University. Accessed January 25, 2020. https://commons.erau.edu/edt/357.

MLA Handbook (7^th Edition):

Kitchen-McKinley, Samuel J. “Variable Structure Feedback Control with Application to Spacecraft with Small Thrust Propulsion Systems.” 2017. Web. 25 Jan 2020.

Vancouver:

Kitchen-McKinley SJ. Variable Structure Feedback Control with Application to Spacecraft with Small Thrust Propulsion Systems. [Internet] [Doctoral dissertation]. Embry-Riddle Aeronautical University; 2017. [cited 2020 Jan 25]. Available from: https://commons.erau.edu/edt/357.

Council of Science Editors:

Kitchen-McKinley SJ. Variable Structure Feedback Control with Application to Spacecraft with Small Thrust Propulsion Systems. [Doctoral Dissertation]. Embry-Riddle Aeronautical University; 2017. Available from: https://commons.erau.edu/edt/357

University of Western Ontario

6. Hopkins, Cameron C. Vibrating-wire Rheometry.

Degree: 2018, University of Western Ontario

URL: https://ir.lib.uwo.ca/etd/5584

► This thesis consists of two projects on the behaviour of a novel vibrating-wire rheometer and a third project studying the gelation dynamics of aqueous solutions… (more)

▼ This thesis consists of two projects on the behaviour of a novel vibrating-wire rheometer and a third project studying the gelation dynamics of aqueous solutions of Pluronic F127. In the first study, we use COMSOL to perform two-dimensional simulations of the oscillations of a wire in Newtonian and shear-thinning fluids. Our results show that the resonant behaviour of the wire agrees well with the theory of a wire vibrating in Newtonian fluids. In shear-thinning fluids, we find resonant behaviour similar to that in Newtonian fluids. In addition, we find that the shear-rate and viscosity in the fluid vary significantly in both space and time. We find that the resonant behaviour of the wire can be well described by the theory of a wire vibrating in a Newtonian fluid if the viscosity in the theory is set equal to the viscosity averaged over the circumference of the wire and over one period of the wire’s oscillation at the resonant frequency. In the second study, we present the design and operation of our vibrating-wire rheometer and use it to measure the properties of Newtonian and viscoelastic fluids. We find that our device can accurately measure small viscosities. In homogeneous polymer solutions, we find that the viscoelastic moduli measured using our device are consistent with measurements at lower frequencies using a shear rheometer. In addition, we find that our device can measure the microrheological properties of an aging Laponite clay suspension that is heterogeneous on the micron scale. In the third project, we study the gelation dynamics of aqueous solutions of Pluronic F127. Using shear rheometry we find that when slowly heating the solutions, they undergo a transition from sol to gel around room temperature, followed by a gel to sol transition at a higher temperature. Our results show that these transitions take place over a temperature range of a few degrees. When cooling the solutions, the reverse transitions occur over a larger range of temperature and the width in temperature of the gel phase is larger. At temperatures near the phase transitions, we find that the rheological relaxation time becomes very long.

Subjects/Keywords: Rheology; rheometry; viscometry; vibrating wire; complex fluids; Pluronic; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Hopkins, C. C. (2018). Vibrating-wire Rheometry. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/5584

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):

Hopkins, Cameron C. “Vibrating-wire Rheometry.” 2018. Thesis, University of Western Ontario. Accessed January 25, 2020. https://ir.lib.uwo.ca/etd/5584.

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

MLA Handbook (7^th Edition):

Hopkins, Cameron C. “Vibrating-wire Rheometry.” 2018. Web. 25 Jan 2020.

Vancouver:

Hopkins CC. Vibrating-wire Rheometry. [Internet] [Thesis]. University of Western Ontario; 2018. [cited 2020 Jan 25]. Available from: https://ir.lib.uwo.ca/etd/5584.

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

Council of Science Editors:

Hopkins CC. Vibrating-wire Rheometry. [Thesis]. University of Western Ontario; 2018. Available from: https://ir.lib.uwo.ca/etd/5584

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

Michigan Technological University

7. Qian, Ziwei. Effects of Ionic Liquid on Lithium Dendrite Growth.

Degree: MS, Department of Physics, 2018, Michigan Technological University

URL: https://digitalcommons.mtu.edu/etdr/745

► Lithium Dendrites, the microscopic fibers of lithium, often lead to a short circuit in lithium rechargeable batteries that may cause explosions and fires. However,… (more)

Subjects/Keywords: Lithium dendrite; ionic liquid; battery; electrodeposition; Monte Carlo; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Qian, Z. (2018). Effects of Ionic Liquid on Lithium Dendrite Growth. (Masters Thesis). Michigan Technological University. Retrieved from https://digitalcommons.mtu.edu/etdr/745

Chicago Manual of Style (16^th Edition):

Qian, Ziwei. “Effects of Ionic Liquid on Lithium Dendrite Growth.” 2018. Masters Thesis, Michigan Technological University. Accessed January 25, 2020. https://digitalcommons.mtu.edu/etdr/745.

MLA Handbook (7^th Edition):

Qian, Ziwei. “Effects of Ionic Liquid on Lithium Dendrite Growth.” 2018. Web. 25 Jan 2020.

Vancouver:

Qian Z. Effects of Ionic Liquid on Lithium Dendrite Growth. [Internet] [Masters thesis]. Michigan Technological University; 2018. [cited 2020 Jan 25]. Available from: https://digitalcommons.mtu.edu/etdr/745.

Council of Science Editors:

Qian Z. Effects of Ionic Liquid on Lithium Dendrite Growth. [Masters Thesis]. Michigan Technological University; 2018. Available from: https://digitalcommons.mtu.edu/etdr/745

Michigan Technological University

8. Shock, Cameron John. The Solvation Energy of Ions in a Stockmayer Fluid.

Degree: MS, Department of Physics, 2019, Michigan Technological University

URL: https://digitalcommons.mtu.edu/etdr/885

► The solvation of ions in polar solvents has been a long studied system since the early twentieth century. A common technique to calculate the… (more)

Subjects/Keywords: polymer; orientational polarization; electronic polarization; Onsager; Debye; dipole; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Shock, C. J. (2019). The Solvation Energy of Ions in a Stockmayer Fluid. (Masters Thesis). Michigan Technological University. Retrieved from https://digitalcommons.mtu.edu/etdr/885

Chicago Manual of Style (16^th Edition):

Shock, Cameron John. “The Solvation Energy of Ions in a Stockmayer Fluid.” 2019. Masters Thesis, Michigan Technological University. Accessed January 25, 2020. https://digitalcommons.mtu.edu/etdr/885.

MLA Handbook (7^th Edition):

Shock, Cameron John. “The Solvation Energy of Ions in a Stockmayer Fluid.” 2019. Web. 25 Jan 2020.

Vancouver:

Shock CJ. The Solvation Energy of Ions in a Stockmayer Fluid. [Internet] [Masters thesis]. Michigan Technological University; 2019. [cited 2020 Jan 25]. Available from: https://digitalcommons.mtu.edu/etdr/885.

Council of Science Editors:

Shock CJ. The Solvation Energy of Ions in a Stockmayer Fluid. [Masters Thesis]. Michigan Technological University; 2019. Available from: https://digitalcommons.mtu.edu/etdr/885

Virginia Commonwealth University

9. Ojaghlou, Neda. Adhesion at Solid/Liquid Interfaces.

Degree: PhD, Chemistry, 2019, Virginia Commonwealth University

URL: https://scholarscompass.vcu.edu/etd/6079

► The adhesion at solid/liquid interface plays a fundamental role in diverse fields and helps explain the structure and physical properties of interfaces, at the… (more)

▼ The adhesion at solid/liquid interface plays a fundamental role in diverse fields and helps explain the structure and physical properties of interfaces, at the atomic scale, for example in catalysis, crystal growth, lubrication, electrochemistry, colloidal system, and in many biological reactions. Unraveling the atomic structure at the solid/liquid interface is, therefore, one of the major challenges facing the surface science today to understand the physical processes in the phenomena such as surface coating, self-cleaning, and oil recovery applications. In this thesis, a variety of theory/computational methods in statistical physics and statistical mechanics are used to improve understanding of water adhesion at solid/liquid interfaces. In here, we addressed two separated, but interconnected problems: First, we consider water adhesion on fiber/surface, responsible for the emergence of droplet residue upon droplet detachment. In this project, we study the mechanism of water droplet detachment and retention of residual water on smooth hydrophilic fibers and surfaces using nonequilibrium molecular dynamics simulations. We investigate how the applied force affects the breakup of a droplet and how the minimal detaching force per unit mass decreases with droplet size. We extract scaling relations that allow extrapolation of our findings to larger length scales that are not directly accessible by molecular models. We find that the volume of the residue on a fiber varies nonmonotonically with the detaching force, reaching the maximal size at an intermediate force and associated detachment time. The strength of this force decreases with the size of the drop, while the maximal residue increases with the droplet volume, V, sub-linearly, in proportion to the V^2/3. Second, we address the adhesion on conducting graphene. We improved the graphene model by incorporating the conductivity of graphene sheet using the fluctuating charge technique of Constant Potential Molecular Dynamics (CPMD). We evaluated the wettability by measuring the contact angle of cylindrical water drops on a conducting graphene sheet. We found that the CA of a water droplet on a graphene sheet supported by water is lower than in the absence of water under graphene. Our calculations reveal effective attractions between partial charges of equal sign across the conducting graphene sheet. Attractive correlations are attributed to the formation of the highly localized image charges on carbon atoms between the partially charged sites of water molecules on both sides of graphene. By performing additional computations with nonpolar diiodomethane, we confirm that graphene transmits both polar and dispersive interactions. These findings are important in applications including sensors, fuel cell membranes, water filtration, and graphene-based electrode material to enhance the supercapacitor performance. A challenge for future work concerns dynamic polarization response of wetted graphene at alternating (AC) field condition. Advisors/Committee Members: Neda Ojaghlou.

Subjects/Keywords: Computational Engineering; Fluid Dynamics; Physical Chemistry; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Ojaghlou, N. (2019). Adhesion at Solid/Liquid Interfaces. (Doctoral Dissertation). Virginia Commonwealth University. Retrieved from https://scholarscompass.vcu.edu/etd/6079

Chicago Manual of Style (16^th Edition):

Ojaghlou, Neda. “Adhesion at Solid/Liquid Interfaces.” 2019. Doctoral Dissertation, Virginia Commonwealth University. Accessed January 25, 2020. https://scholarscompass.vcu.edu/etd/6079.

MLA Handbook (7^th Edition):

Ojaghlou, Neda. “Adhesion at Solid/Liquid Interfaces.” 2019. Web. 25 Jan 2020.

Vancouver:

Ojaghlou N. Adhesion at Solid/Liquid Interfaces. [Internet] [Doctoral dissertation]. Virginia Commonwealth University; 2019. [cited 2020 Jan 25]. Available from: https://scholarscompass.vcu.edu/etd/6079.

Council of Science Editors:

Ojaghlou N. Adhesion at Solid/Liquid Interfaces. [Doctoral Dissertation]. Virginia Commonwealth University; 2019. Available from: https://scholarscompass.vcu.edu/etd/6079

10. Olson, Christopher C. Designing Active Granular Squares.

Degree: 2016, University of Massachusetts

URL: https://scholarworks.umass.edu/masters_theses_2/369

► The goal of this thesis has been to find a means of i) designing an active square particle, and ii) continuously varying its degree… (more)

Subjects/Keywords: Active Matter; Granular Physics; Condensed Matter; Non-Equilibrium; Biological and Chemical Physics; Condensed Matter Physics; Other Physics; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Olson, C. C. (2016). Designing Active Granular Squares. (Thesis). University of Massachusetts. Retrieved from https://scholarworks.umass.edu/masters_theses_2/369

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):

Olson, Christopher C. “Designing Active Granular Squares.” 2016. Thesis, University of Massachusetts. Accessed January 25, 2020. https://scholarworks.umass.edu/masters_theses_2/369.

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

MLA Handbook (7^th Edition):

Olson, Christopher C. “Designing Active Granular Squares.” 2016. Web. 25 Jan 2020.

Vancouver:

Olson CC. Designing Active Granular Squares. [Internet] [Thesis]. University of Massachusetts; 2016. [cited 2020 Jan 25]. Available from: https://scholarworks.umass.edu/masters_theses_2/369.

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

Council of Science Editors:

Olson CC. Designing Active Granular Squares. [Thesis]. University of Massachusetts; 2016. Available from: https://scholarworks.umass.edu/masters_theses_2/369

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

University of Tennessee – Knoxville

11. Griffin, Philip James. Structural Dynamics and Charge Transport in Room Temperature Ionic Liquids.

Degree: 2014, University of Tennessee – Knoxville

URL: https://trace.tennessee.edu/utk_graddiss/2824

► Room temperature ionic liquids are an important class of materials due to their chemical tunability and numerous advantageous physicochemical properties. As a result, ionic liquids… (more)

▼ Room temperature ionic liquids are an important class of materials due to their chemical tunability and numerous advantageous physicochemical properties. As a result, ionic liquids are currently being investigated for use in a wide array of chemical and electrochemical applications. Despite their great potential, however, the relationship between the chemical structure and physicochemical properties of ionic liquids is not well understood. To this end, this dissertation presents experimental studies of the reorientational structural dynamics and charge transport properties of a variety of room temperature ionic liquids using quasielastic light scattering spectroscopy and broadband dielectric spectroscopy. Studies of a series of 1-butyl-3-methylimidazolium based ionic liquids, in which the anion was systematically varied, have revealed that the anion chemical structure has a significant impact on the structural dynamics and charge transport properties of ionic liquids. As the anion becomes larger and more asymmetrical, ionic mobility increases strongly as a result of an increased fluidity. Surprisingly, the mole fraction of free ions remains unaffected by the anion chemical structure. The influence of cation chemical structure on the transport properties of ionic liquids was explored in a homologous series of tetra-alkylammonium based ionic liquids. It was found that pronounced chemical heterogeneity causes ionic liquids to exhibit complex and strongly heterogeneous molecular dynamics. Furthermore, when aliphatic side-groups of cations occupy a large liquid volume fraction, both the ion mobility as well as the mole fraction of free ions were found to decrease strongly as a consequence of pronounced nanophase segregation. The transport properties of a novel carboxylic acid-tertiary amine based protic ionic liquid were also studied in this dissertation. The structural dynamics and charge transport mechanism in this protic ionic liquid are surprisingly very similar to the aprotic ionic liquids, despite the fundamental differences in the intrinsic charge carrier. Through these comparative studies, this dissertation not only provides a fundamental understanding of the unique dynamical properties of room temperature ionic liquids, but it also elucidates the complex interrelationship between key chemical structure variations and molecular transport properties of these important materials.

Subjects/Keywords: ionic liquids; glass transition; dynamics; charge transport; Materials Chemistry; Polymer and Organic Materials; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Griffin, P. J. (2014). Structural Dynamics and Charge Transport in Room Temperature Ionic Liquids. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/2824

Chicago Manual of Style (16^th Edition):

Griffin, Philip James. “Structural Dynamics and Charge Transport in Room Temperature Ionic Liquids.” 2014. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed January 25, 2020. https://trace.tennessee.edu/utk_graddiss/2824.

MLA Handbook (7^th Edition):

Griffin, Philip James. “Structural Dynamics and Charge Transport in Room Temperature Ionic Liquids.” 2014. Web. 25 Jan 2020.

Vancouver:

Griffin PJ. Structural Dynamics and Charge Transport in Room Temperature Ionic Liquids. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2014. [cited 2020 Jan 25]. Available from: https://trace.tennessee.edu/utk_graddiss/2824.

Council of Science Editors:

Griffin PJ. Structural Dynamics and Charge Transport in Room Temperature Ionic Liquids. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2014. Available from: https://trace.tennessee.edu/utk_graddiss/2824

University of Tennessee – Knoxville

12. Saadat, Amir. Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions.

Degree: 2016, University of Tennessee – Knoxville

URL: https://trace.tennessee.edu/utk_graddiss/4158

► Excluded Volume (EV) and Hydrodynamic Interactions (HI) play a central role in static and dynamic properties of macromolecules in solution under equilibrium and nonequilibrium settings.… (more)

▼ Excluded Volume (EV) and Hydrodynamic Interactions (HI) play a central role in static and dynamic properties of macromolecules in solution under equilibrium and nonequilibrium settings. The computational cost of incorporating HI in mesoscale Brownian dynamics (BD) simulations, particularly in the semidilute regime has motivated significant research aimed at development of high-fidelity and efficient techniques. In this study, I have developed several algorithms for the mesoscale bead-spring representation of a macromolecular solution in dilute and semidilute regimes. The Krylov subspace method enables fast calculation of single chain dynamics with simulation time scaling of O(Nb2) [order N subscript b squared], where Nb is the number of beads in the chain. For simulations of multichain systems, a matrix-free approach is implemented which leads to O(NlogN) scaling of simulation time, where N is the number of beads in the periodic box. The Krylov and predictor-corrector schemes are used to study the behavior of dilute solutions of high molecular weight flexible macromolecules, and in particular Polystyrene (PS). The influence of HI and EV on the extensional hardening of the macromolecular solutions is considered. It is demonstrated that the combination of HI and successive fine-graining results in a remarkable prediction of rheological properties of solutions containing 1.95, 3.9, and 10.2 million molecular weight PS. Further, a bead-spring model is developed to overcome the deficiencies of the current mesoscale worm-like chain models, i.e., to accurately describe the correlation along the backbone, segmental length, and the force-extension behavior even at the limit of 1 Kuhn step per spring. The new model is utilized to examine the relaxation and stretching behavior of linear and comb DNA molecules. The BD computational results are in good agreement with single molecule visualization experiments in a cross-slot device (planar extensional flow). For interacting multichain systems, the fidelity of the matrix-free algorithm is demonstrated by evaluating the asymptotic value of center of mass diffusivity at low concentrations and the radius of gyration as a function of number of beads in θ [theta] and good solvent conditions. Our results are consistent with blob theory, which is commonly used to describe the concentration dependence of polymer solution properties.

Subjects/Keywords: Stochastic Simulations; Mesoscopic Modeling; Extensional Rheology; DNA Dynamics; BDpack; Chemical Engineering; Computational Engineering; Fluid Dynamics; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Saadat, A. (2016). Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/4158

Chicago Manual of Style (16^th Edition):

Saadat, Amir. “Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions.” 2016. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed January 25, 2020. https://trace.tennessee.edu/utk_graddiss/4158.

MLA Handbook (7^th Edition):

Saadat, Amir. “Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions.” 2016. Web. 25 Jan 2020.

Vancouver:

Saadat A. Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2016. [cited 2020 Jan 25]. Available from: https://trace.tennessee.edu/utk_graddiss/4158.

Council of Science Editors:

Saadat A. Large Scale Brownian Dynamics Simulation of Dilute and Semidilute Polymeric Solutions. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2016. Available from: https://trace.tennessee.edu/utk_graddiss/4158

University of Colorado

13. Edelmaier, Christopher. Computational Modeling of Mitosis in Fission Yeast.

Degree: PhD, 2018, University of Colorado

URL: https://scholar.colorado.edu/phys_gradetds/237

► Mitosis ensures the proper segregation of chromosomes into daughter cells, which is accomplished by the mitotic spindle. During fission yeast mitosis, chromosomes establish bi-orientation as… (more)

Subjects/Keywords: computational; fission; mitosis; nonequilibrium; yeast; Biophysics; Cellular and Molecular Physiology; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Edelmaier, C. (2018). Computational Modeling of Mitosis in Fission Yeast. (Doctoral Dissertation). University of Colorado. Retrieved from https://scholar.colorado.edu/phys_gradetds/237

Chicago Manual of Style (16^th Edition):

Edelmaier, Christopher. “Computational Modeling of Mitosis in Fission Yeast.” 2018. Doctoral Dissertation, University of Colorado. Accessed January 25, 2020. https://scholar.colorado.edu/phys_gradetds/237.

MLA Handbook (7^th Edition):

Edelmaier, Christopher. “Computational Modeling of Mitosis in Fission Yeast.” 2018. Web. 25 Jan 2020.

Vancouver:

Edelmaier C. Computational Modeling of Mitosis in Fission Yeast. [Internet] [Doctoral dissertation]. University of Colorado; 2018. [cited 2020 Jan 25]. Available from: https://scholar.colorado.edu/phys_gradetds/237.

Council of Science Editors:

Edelmaier C. Computational Modeling of Mitosis in Fission Yeast. [Doctoral Dissertation]. University of Colorado; 2018. Available from: https://scholar.colorado.edu/phys_gradetds/237

University of Western Ontario

14. Antipova, Alena. Dynamics of Discs in a Nematic Liquid Crystal.

Degree: 2016, University of Western Ontario

URL: https://ir.lib.uwo.ca/etd/3785

► In this thesis, a new way of simulating a two-way coupling between a liquid crystal and an immersed object is proposed. It can be used… (more)

▼ In this thesis, a new way of simulating a two-way coupling between a liquid crystal and an immersed object is proposed. It can be used for objects of various geometries and can be expanded to be used for an object of any geometry. Additionally, a simple yet effective model was suggested for calculations of transmitted light through a nematic liquid crystal sample. This model allowed us to clarify the behavior of a ferromagnetic disc in a nematic liquid crystal observed in experiments and incorrectly interpreted at that time. Our simulations have demonstrated the following: in the absence of external forces and torques, discs with homeotropic (perpendicular) anchoring align with their surface normal parallel to the director of the nematic liquid crystal. In the presence of a weak magnetic field, a ferromagnetic disc will rotate to equilibrate the elastic torque due to the distortion of the nematic director and the magnetic torque. When the magnetic field rotates the disc so that the angle between normal to the surface of the disc and director of the liquid crystal becomes greater than 90 degrees, the disc flips around the axis perpendicular to the rotation axis, thus resolving the distortion in the liquid crystal. An analysis of this behavior was performed in Chapter 3. In particular, we look at the impact of the disc thickness, and conditions on the edges of the object, on defect creation and the flipping transition. We also analyze the importance of backflow (i.e. coupling of tensor order parameter with velocity field). We also study the same system under the action of fast rotating weak magnetic fields, that demonstrates a different behavior: the disc avoids flipping via creation of two symmetric defects on the sides. Some results on disc pairs are presented in Chapter 4. Interactions between discs, their motion and final position strongly depend on the distance between them, and the magnitude and angular velocity of the rotating magnetic field. Depending on the initial configuration of the system, different stable structures of discs result.

Subjects/Keywords: Liquid Crystals; Lattice Boltzmann; Colloids; Hydrodynamics; Molecular Dynamics; Condensed Matter Physics; Fluid Dynamics; Other Applied Mathematics; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Antipova, A. (2016). Dynamics of Discs in a Nematic Liquid Crystal. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/3785

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):

Antipova, Alena. “Dynamics of Discs in a Nematic Liquid Crystal.” 2016. Thesis, University of Western Ontario. Accessed January 25, 2020. https://ir.lib.uwo.ca/etd/3785.

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

MLA Handbook (7^th Edition):

Antipova, Alena. “Dynamics of Discs in a Nematic Liquid Crystal.” 2016. Web. 25 Jan 2020.

Vancouver:

Antipova A. Dynamics of Discs in a Nematic Liquid Crystal. [Internet] [Thesis]. University of Western Ontario; 2016. [cited 2020 Jan 25]. Available from: https://ir.lib.uwo.ca/etd/3785.

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

Council of Science Editors:

Antipova A. Dynamics of Discs in a Nematic Liquid Crystal. [Thesis]. University of Western Ontario; 2016. Available from: https://ir.lib.uwo.ca/etd/3785

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

University of Western Ontario

15. Mahagammulla Gamage, Shayamila N. Development of a 1-Dimensional Data Assimilation to Determine Temperature and Relative Humidity Combining Raman Lidar Backscatter Measurements And a Reanalysis Model.

Degree: 2019, University of Western Ontario

URL: https://ir.lib.uwo.ca/etd/6356

► Water vapor is the most dominant greenhouse gas in Earth's atmosphere. It is highly variable and its variations strongly depend on changes in temperature. Atmospheric… (more)

▼ Water vapor is the most dominant greenhouse gas in Earth's atmosphere. It is highly variable and its variations strongly depend on changes in temperature. Atmospheric water vapor can be expressed as relative humidity (RH), the ratio of the partial pressure of water vapor in the mixture to the equilibrium vapor pressure of water over a flat surface of pure water at a given temperature. Liquid water can exist as super-cooled water for temperatures between 0C to -38C. Thus, RH can be measured either relative to water (RHw) or to ice (RHi). RHi measurements are important in the upper tropospheric region, where the temperature is always less than 0C, to study ice supersaturation (ISS) and its relation to the formation of cirrus clouds. I present three studies all using a mathematical scheme called the optimal estimation method (OEM). The OEM is an inverse method that determines the most probable state consistent with the measurements and a priori knowledge. These studies use parts of a large set of existing measurements from the Raman Lidar for Meteorological Observations (RALMO) instrument located at the meteorological observatory in Payerne, Switzerland. I first develop an OEM retrieval for temperature using RALMO's two pure rotational Raman (PRR) channel measurements. Retrieved temperatures show excellent agreement with coincident balloon-borne radiosonde measurements. A second OEM scheme is introduced to retrieve RHw directly from RALMO measurements of back-scatter due to water vapor and nitrogen. I validate the OEM retrievals developed for temperature and RHw. I then combine the OEM-retrieved temperature and RHw with data from the European Centre for Medium-Range Weather Forecasts Re-analysis (ERA5) to compute a new and improved temperature and relative humidity product. The retrieval is enhanced by assimilating it with the ERA5 data. The quality of the RHw retrievals from the assimilated OEM scheme greatly improves over retrievals which use less accurate a priori information. Thirdly, I retrieve RHi to detect ISS layers. I find the frequency of ISS layers in the free troposphere over Payerne to be about 27% using 82.5 hours of measurements.

Subjects/Keywords: Optimal Estimation Method; Raman lidar; Rotational Raman temperature; UTLS; Water vapor mixing ratio; Relative humidity; Ice supersaturation; Atmospheric Sciences; Meteorology; Physics; Statistical Methodology; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Mahagammulla Gamage, S. N. (2019). Development of a 1-Dimensional Data Assimilation to Determine Temperature and Relative Humidity Combining Raman Lidar Backscatter Measurements And a Reanalysis Model. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/6356

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):

Mahagammulla Gamage, Shayamila N. “Development of a 1-Dimensional Data Assimilation to Determine Temperature and Relative Humidity Combining Raman Lidar Backscatter Measurements And a Reanalysis Model.” 2019. Thesis, University of Western Ontario. Accessed January 25, 2020. https://ir.lib.uwo.ca/etd/6356.

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

MLA Handbook (7^th Edition):

Mahagammulla Gamage, Shayamila N. “Development of a 1-Dimensional Data Assimilation to Determine Temperature and Relative Humidity Combining Raman Lidar Backscatter Measurements And a Reanalysis Model.” 2019. Web. 25 Jan 2020.

Vancouver:

Mahagammulla Gamage SN. Development of a 1-Dimensional Data Assimilation to Determine Temperature and Relative Humidity Combining Raman Lidar Backscatter Measurements And a Reanalysis Model. [Internet] [Thesis]. University of Western Ontario; 2019. [cited 2020 Jan 25]. Available from: https://ir.lib.uwo.ca/etd/6356.

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

Council of Science Editors:

Mahagammulla Gamage SN. Development of a 1-Dimensional Data Assimilation to Determine Temperature and Relative Humidity Combining Raman Lidar Backscatter Measurements And a Reanalysis Model. [Thesis]. University of Western Ontario; 2019. Available from: https://ir.lib.uwo.ca/etd/6356

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

Portland State University

16. Shaukat, Kamran. A study of Leslie model under stochastic environments.

Degree: MS(M.S.) in Physics, Physics, 1981, Portland State University

URL: http://pdxscholar.library.pdx.edu/open_access_etds/3112

► The prediction and analysis of changes in the numbers of biological populations rest on mathematical formulations of demographic events (births and deaths) classified by… (more)

Subjects/Keywords: Population – Mathematical models; Physics; Population Biology; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Shaukat, K. (1981). A study of Leslie model under stochastic environments. (Masters Thesis). Portland State University. Retrieved from http://pdxscholar.library.pdx.edu/open_access_etds/3112

Chicago Manual of Style (16^th Edition):

Shaukat, Kamran. “A study of Leslie model under stochastic environments.” 1981. Masters Thesis, Portland State University. Accessed January 25, 2020. http://pdxscholar.library.pdx.edu/open_access_etds/3112.

MLA Handbook (7^th Edition):

Shaukat, Kamran. “A study of Leslie model under stochastic environments.” 1981. Web. 25 Jan 2020.

Vancouver:

Shaukat K. A study of Leslie model under stochastic environments. [Internet] [Masters thesis]. Portland State University; 1981. [cited 2020 Jan 25]. Available from: http://pdxscholar.library.pdx.edu/open_access_etds/3112.

Council of Science Editors:

Shaukat K. A study of Leslie model under stochastic environments. [Masters Thesis]. Portland State University; 1981. Available from: http://pdxscholar.library.pdx.edu/open_access_etds/3112

University of Tennessee – Knoxville

17. Duranty, Edward Roy. The Effect of Composition and Architecture on Polymer Behavior in Homopolymer Blends and Inter-filament Bonding in 3D Printed Models.

Degree: 2015, University of Tennessee – Knoxville

URL: https://trace.tennessee.edu/utk_graddiss/3545

► This dissertation presents work that increases our understanding of the effects of composition and architecture on copolymer structure and dynamics and how they affect material… (more)

▼ This dissertation presents work that increases our understanding of the effects of composition and architecture on copolymer structure and dynamics and how they affect material diffusion between filaments in a 3D printed model. Copolymers are polymer chains made up of at least two different monomers. The ordering and arrangement of the two monomer species within a copolymer can have drastic effects on the behavior and properties of the copolymer. The first chapter of this dissertation examines how the copolymer composition affects the structure and dynamics of the chain in a homopolymer blend. This study used a modified Monte Carlo BFM to simulate random polystyrene(PS)-polymethymethacrylate(PMMA) copolymers in a PMMA matrix. The results suggest that the faster moving PS segments in the copolymer chain dominate the chain’s motion. However, concentration fluctuations in the local volume around segments of the chain ultimately slow the chain down. This work sheds light into why a randomly distributed copolymer will move faster than a di-block copolymer of the same monomer composition. The next project focused on the effect of copolymer architecture on the structure and dynamics of branched polymers in a homopolymer matrix using a Monte Carlo simulation. In these simulations, branched polymer consisted of a backbone and the side-chains being unlike monomer species. The number and the molecular weight of the branches was varied to study the effects of branch packing densities on homopolymer copolymer comb structure and motion. Additionally, the temperature varied to determine the effect of available thermal energy on each architectural copolymer configuration. The results of this project concluded that the structure and motion of a branched polymer are a result of the balance in the thermodynamic environment surrounding the copolymer. Finally, the effect of inter-filament heat and copolymer diffusion on inter-filament bonding in 3D printed part was examined. In this study the importance of thermal history in the print environment was determined quantitatively and its effect on the adhesion between acrylonitrile-butadiene-styrene (ABS) copolymer filaments was probed. Additionally, the interface between ABS filaments was improved using a chemical cross-linker. These studies provide insight into improving the mechanical strength of 3D printed parts.

Subjects/Keywords: copolymer dynamics; copolymer architecture; 3D printing; fused deposition modeling; Monte Carlo simulation; polymer; Materials Chemistry; Polymer Chemistry; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Duranty, E. R. (2015). The Effect of Composition and Architecture on Polymer Behavior in Homopolymer Blends and Inter-filament Bonding in 3D Printed Models. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/3545

Chicago Manual of Style (16^th Edition):

Duranty, Edward Roy. “The Effect of Composition and Architecture on Polymer Behavior in Homopolymer Blends and Inter-filament Bonding in 3D Printed Models.” 2015. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed January 25, 2020. https://trace.tennessee.edu/utk_graddiss/3545.

MLA Handbook (7^th Edition):

Duranty, Edward Roy. “The Effect of Composition and Architecture on Polymer Behavior in Homopolymer Blends and Inter-filament Bonding in 3D Printed Models.” 2015. Web. 25 Jan 2020.

Vancouver:

Duranty ER. The Effect of Composition and Architecture on Polymer Behavior in Homopolymer Blends and Inter-filament Bonding in 3D Printed Models. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2015. [cited 2020 Jan 25]. Available from: https://trace.tennessee.edu/utk_graddiss/3545.

Council of Science Editors:

Duranty ER. The Effect of Composition and Architecture on Polymer Behavior in Homopolymer Blends and Inter-filament Bonding in 3D Printed Models. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2015. Available from: https://trace.tennessee.edu/utk_graddiss/3545

University of Arkansas

18. Hillhouse, Brian David. Fatigue Performance and Shear Demand Distributions of Clustered Shear Connectors in Composite Bridge Girders.

Degree: MSCE, 2018, University of Arkansas

URL: https://scholarworks.uark.edu/etd/3059

► The current American Association of State Highway and Transportation Officials (AASHTO) Bridge Specifications assumes uniform shear flow demands at the steel-concrete interface of composite… (more)

Subjects/Keywords: Composite Bridge Girders; Fatigue Testing; Pressure Measurement Gauge; Shear Demands; Shear Studs; Civil Engineering; Construction Engineering and Management; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Hillhouse, B. D. (2018). Fatigue Performance and Shear Demand Distributions of Clustered Shear Connectors in Composite Bridge Girders. (Masters Thesis). University of Arkansas. Retrieved from https://scholarworks.uark.edu/etd/3059

Chicago Manual of Style (16^th Edition):

Hillhouse, Brian David. “Fatigue Performance and Shear Demand Distributions of Clustered Shear Connectors in Composite Bridge Girders.” 2018. Masters Thesis, University of Arkansas. Accessed January 25, 2020. https://scholarworks.uark.edu/etd/3059.

MLA Handbook (7^th Edition):

Hillhouse, Brian David. “Fatigue Performance and Shear Demand Distributions of Clustered Shear Connectors in Composite Bridge Girders.” 2018. Web. 25 Jan 2020.

Vancouver:

Hillhouse BD. Fatigue Performance and Shear Demand Distributions of Clustered Shear Connectors in Composite Bridge Girders. [Internet] [Masters thesis]. University of Arkansas; 2018. [cited 2020 Jan 25]. Available from: https://scholarworks.uark.edu/etd/3059.

Council of Science Editors:

Hillhouse BD. Fatigue Performance and Shear Demand Distributions of Clustered Shear Connectors in Composite Bridge Girders. [Masters Thesis]. University of Arkansas; 2018. Available from: https://scholarworks.uark.edu/etd/3059

University of Arkansas

19. Moore, Tyler Garrett. Directed Percolation and the Abstract Tile Assembly Model.

Degree: MS, 2013, University of Arkansas

URL: https://scholarworks.uark.edu/etd/765

► Self-assembly is a process by which simple components build complex structures through local interactions. Directed percolation is a statistical physical model for describing competitive… (more)

Subjects/Keywords: Applied sciences; Abstract tile assembly model; Percolation theory; Self assembly; Nanoscience and Nanotechnology; Numerical Analysis and Scientific Computing; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Moore, T. G. (2013). Directed Percolation and the Abstract Tile Assembly Model. (Masters Thesis). University of Arkansas. Retrieved from https://scholarworks.uark.edu/etd/765

Chicago Manual of Style (16^th Edition):

Moore, Tyler Garrett. “Directed Percolation and the Abstract Tile Assembly Model.” 2013. Masters Thesis, University of Arkansas. Accessed January 25, 2020. https://scholarworks.uark.edu/etd/765.

MLA Handbook (7^th Edition):

Moore, Tyler Garrett. “Directed Percolation and the Abstract Tile Assembly Model.” 2013. Web. 25 Jan 2020.

Vancouver:

Moore TG. Directed Percolation and the Abstract Tile Assembly Model. [Internet] [Masters thesis]. University of Arkansas; 2013. [cited 2020 Jan 25]. Available from: https://scholarworks.uark.edu/etd/765.

Council of Science Editors:

Moore TG. Directed Percolation and the Abstract Tile Assembly Model. [Masters Thesis]. University of Arkansas; 2013. Available from: https://scholarworks.uark.edu/etd/765

University of Western Ontario

20. Abeyasinghe, Pubuditha M. Calculating the Dimensionality of the Brain, and Other Applications of an Optimized Generalized Ising Model in Predicting Brain's Spontaneous Functions.

Degree: 2019, University of Western Ontario

URL: https://ir.lib.uwo.ca/etd/6124

► Understanding a system as complex as the human brain is a very demanding task. Directly working with structural and functional neuroimaging data has led to… (more)

▼ Understanding a system as complex as the human brain is a very demanding task. Directly working with structural and functional neuroimaging data has led to most of the understanding we have gained about the human brain. However, performing only the direct statistical comparisons on the empirical function and the structure does not fully explain the observed long-range functional correlations. Therefore, implementations of mathematical models to gain further understanding of the relationship between the structure and function of the brain is critical. Additionally, spontaneous functions of the brain can only be predicted using computer simulated models; which will be pivotal for studying the patients with accidental brain injuries. Therefore, this research aims to present an optimized computer simulated model not only to further understand the structure-function relationship of the brain but also to predict the functional changes when anatomy is altered. Based on prior work, 2-dimensional classical Ising model stands out among the other models in modeling the functions of the brain due to its simplicity. Hence, a 2-dimensional Ising model was simulated on a structural connectome (generalized Ising model) that acts as a proxy for the anatomical connectivity in the brain. Simulations allowed the prediction of functional connectivity using the structure, at criticality. It also enabled the introduction of a novel methodology to calculate the ”dimensionality” of the brain. Our results showed the dimensionality of a healthy brain is two when it is defined using the information flow in the brain. Further research illustrated the dependency of dimensionality on the diffusion tractography method used to obtain the structural connectome. It was also concluded that an optimized generalized Ising model has to be simulated using a structural connectome generated by deterministic tractography to acquire the best predictions of empirical function. Additional investigations into a more generalized version of the Ising model—Potts model with different number of spin states—illustrated that increasing the number of spin states does not increase the predictability. It also supported the hypothesis that the model could be simulating the digital nature of direct neural activity rather than the indirect activity measured by brain imaging.

Subjects/Keywords: Dimensionality of the brain; 2D classical Ising model; Generalized Ising model; Structure-function relationship of the brain; Tractography; Potts model; Computational Neuroscience; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Abeyasinghe, P. M. (2019). Calculating the Dimensionality of the Brain, and Other Applications of an Optimized Generalized Ising Model in Predicting Brain's Spontaneous Functions. (Thesis). University of Western Ontario. Retrieved from https://ir.lib.uwo.ca/etd/6124

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):

Abeyasinghe, Pubuditha M. “Calculating the Dimensionality of the Brain, and Other Applications of an Optimized Generalized Ising Model in Predicting Brain's Spontaneous Functions.” 2019. Thesis, University of Western Ontario. Accessed January 25, 2020. https://ir.lib.uwo.ca/etd/6124.

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

MLA Handbook (7^th Edition):

Abeyasinghe, Pubuditha M. “Calculating the Dimensionality of the Brain, and Other Applications of an Optimized Generalized Ising Model in Predicting Brain's Spontaneous Functions.” 2019. Web. 25 Jan 2020.

Vancouver:

Abeyasinghe PM. Calculating the Dimensionality of the Brain, and Other Applications of an Optimized Generalized Ising Model in Predicting Brain's Spontaneous Functions. [Internet] [Thesis]. University of Western Ontario; 2019. [cited 2020 Jan 25]. Available from: https://ir.lib.uwo.ca/etd/6124.

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

Council of Science Editors:

Abeyasinghe PM. Calculating the Dimensionality of the Brain, and Other Applications of an Optimized Generalized Ising Model in Predicting Brain's Spontaneous Functions. [Thesis]. University of Western Ontario; 2019. Available from: https://ir.lib.uwo.ca/etd/6124

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

University of New Mexico

21. Ierides, Anastasia Aemilia. Vibrational Relaxation Theory for Systems Embedded in Microscopically Specified Reservoirs.

Degree: Physics & Astronomy, 2018, University of New Mexico

URL: https://digitalrepository.unm.edu/phyc_etds/178

► This dissertation is a study of the theoretical framework of the practical as well as fundamental problem of the process of relaxation to equilibrium… (more)

▼ This dissertation is a study of the theoretical framework of the practical as well as fundamental problem of the process of relaxation to equilibrium of quantum mechanical systems. The fundamental aspect is concerned with the simultaneous occurrence of decoherence and population equilibration. The practical aspect deals with experimental observations of vibrational relaxation of molecules embedded in liquids or solids. The systems include, but are not limited to, the nondegenerate dimer and harmonic oscillator, in one case weak and in the other strong, interaction with a thermal bath. The time dependence of the energy and the temperature dependence of the relaxation rate are the specific observables addressed in this dissertation. The analysis is based on the method of generalized master equations (GMEs). The memory functions in the GME are derived from specified Hamiltonians with given, microscopically formulated, interactions with specific reservoirs. The theory is developed with the help of projections and coarse-graining operator techniques with the assumption of initial random phases. These memories are documented in the general sense in terms of the time-correlation function of the interaction potential which is the thermal average over bath states. For simple types of interaction potential, the memories can be further written in terms of components contributed separately by the system and bath. The bath contribution is an equilibrium thermal correlation function. The memories and bath correlation functions are used to calculate the time dependence of the energy of the system and the temperature dependence of the bath spectral function or relaxation rate of the system, respectively. Predictions include an interesting, perhaps unexpected, nonmonotonicity effect and oscillations of a relaxation memory with respect to temperature. The theory is briefly discussed in the context of observations of the relaxation of specified molecular-bath interactions done via pump-probe experiments. An interpolation formula for the time dependence of the energy of the relaxing molecule is developed on the basis of the half-Markoffian approximation and a result relating relaxation rates to hypergeometric functions is presented. The thesis also contains a research contribution, unrelated to its primary topic, concerning the macroscopic classical problem of the flow of granular materials. Advisors/Committee Members: V. M. Kenkre, Arash Mafi, James Thomas, Anil Prinja.

Subjects/Keywords: vibrational relaxation theory from microscopics; approach to thermal equilibrium; nonmonotonic temperature dependence; multiphonon interaction; single-phonon interaction; polaronic transformation; Condensed Matter Physics; Other Physics; Physics; Quantum Physics; Statistical, Nonlinear, and Soft Matter Physics

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APA (6^th Edition):

Ierides, A. A. (2018). Vibrational Relaxation Theory for Systems Embedded in Microscopically Specified Reservoirs. (Doctoral Dissertation). University of New Mexico. Retrieved from https://digitalrepository.unm.edu/phyc_etds/178

Chicago Manual of Style (16^th Edition):

Ierides, Anastasia Aemilia. “Vibrational Relaxation Theory for Systems Embedded in Microscopically Specified Reservoirs.” 2018. Doctoral Dissertation, University of New Mexico. Accessed January 25, 2020. https://digitalrepository.unm.edu/phyc_etds/178.

MLA Handbook (7^th Edition):

Ierides, Anastasia Aemilia. “Vibrational Relaxation Theory for Systems Embedded in Microscopically Specified Reservoirs.” 2018. Web. 25 Jan 2020.

Vancouver:

Ierides AA. Vibrational Relaxation Theory for Systems Embedded in Microscopically Specified Reservoirs. [Internet] [Doctoral dissertation]. University of New Mexico; 2018. [cited 2020 Jan 25]. Available from: https://digitalrepository.unm.edu/phyc_etds/178.

Council of Science Editors:

Ierides AA. Vibrational Relaxation Theory for Systems Embedded in Microscopically Specified Reservoirs. [Doctoral Dissertation]. University of New Mexico; 2018. Available from: https://digitalrepository.unm.edu/phyc_etds/178

University of Tennessee – Knoxville

22. Aranha, Michelle Patricia. Transport of water and ions through single-walled armchair carbon nanotubes: A molecular dynamics study.

Degree: 2017, University of Tennessee – Knoxville

URL: https://trace.tennessee.edu/utk_graddiss/4731

► The narrow hydrophobic interior of a carbon nanotube (CNT) poses a barrier to the transport of water and ions, and yet, unexpectedly, numerous experimental and… (more)

▼ The narrow hydrophobic interior of a carbon nanotube (CNT) poses a barrier to the transport of water and ions, and yet, unexpectedly, numerous experimental and simulation studies have confirmed fast water transport rates comparable to those seen in biological aquaporin channels. These outstanding features of high water permeability and high solute rejection of even dissolved ions that would typically require a lot of energy for separation in commercial processes makes carbon nanotubes an exciting candidate for desalination membranes. Extending ion exclusion beyond simple mechanical sieving by the inclusion of electrostatics via added functionality to the nanotube bears promise to not only reduce the energy requirement of the ion rejection process but to also lend the nanotube an added attribute of perm-selectivity. Confinement of water and ions in the nanotube leads to unique structure, dynamics, and electrostatic effects, which manifest as a result of discreteness of molecules, ion-ion interactions, and ion-specific interactions at nanoscale confinements that are not accounted for in continuumbased transport equations. Using Molecular dynamics (MD), an attempt has been made to provide a detailed molecular-level understanding of the structure, dynamics, and energetic aspects of the permeation mechanism as functions of CNT pore sizes, external solution concentrations, the number and nature of charges on the CNT wall, and external electric fields. Ion transport and electrolyte rejection rates are calculated from long-timescale MD simulations for the cases studied herein, and these are compared to the predictions of continuum theory. Additionally, ion conduction rates are indirectly calculated as functions of the energy barriers that are obtained by using umbrella sampling and free energy perturbation methods. The feasibility of using the thermodynamically-derived Donnan theory to make realistic predictions of co-ion concentrations in charged CNT-based nanoporous membranes with diameters less than 3 nm is discussed. Furthermore, the deviations from macroscopic ion transport predictions and their possible causes are highlighted. It is hoped that this work, when taken in conjunction with experimental studies, will not only help to extend the general continuum-based transport equations to cover nanoscale transport phenomena but will also help to improve the MD force-fields to enable predictions with greater accuracy.

Subjects/Keywords: carbon nanotubes; ion transport; molecular dynamics; artificial desalination membranes; nanofiltration; Donnan theory; Atomic, Molecular and Optical Physics; Biological and Chemical Physics; Biology and Biomimetic Materials; Membrane Science; Nanoscience and Nanotechnology; Statistical, Nonlinear, and Soft Matter Physics; Transport Phenomena

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

APA (6^th Edition):

Aranha, M. P. (2017). Transport of water and ions through single-walled armchair carbon nanotubes: A molecular dynamics study. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/4731

Chicago Manual of Style (16^th Edition):

Aranha, Michelle Patricia. “Transport of water and ions through single-walled armchair carbon nanotubes: A molecular dynamics study.” 2017. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed January 25, 2020. https://trace.tennessee.edu/utk_graddiss/4731.

MLA Handbook (7^th Edition):

Aranha, Michelle Patricia. “Transport of water and ions through single-walled armchair carbon nanotubes: A molecular dynamics study.” 2017. Web. 25 Jan 2020.

Vancouver:

Aranha MP. Transport of water and ions through single-walled armchair carbon nanotubes: A molecular dynamics study. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2017. [cited 2020 Jan 25]. Available from: https://trace.tennessee.edu/utk_graddiss/4731.

Council of Science Editors:

Aranha MP. Transport of water and ions through single-walled armchair carbon nanotubes: A molecular dynamics study. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2017. Available from: https://trace.tennessee.edu/utk_graddiss/4731

23. Casiano-Diaz, Emanuel. Quantum entanglement of one-dimensional spinless fermions.

Degree: MS, Physics, 2019, University of Vermont

URL: https://scholarworks.uvm.edu/graddis/1052

► The constituents of a quantum many-body system can be inextricably linked, a phenomenon known as quantum entanglement. Entanglement can be used as a resource… (more)

Subjects/Keywords: Entanglement; Fermions; Quantum; Other Physics; Quantum Physics; Statistical, Nonlinear, and Soft Matter Physics

…scale physics, not captured within the low energy TLL theory is responsible for this behavior…

3 more images…

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APA (6^th Edition):

Casiano-Diaz, E. (2019). Quantum entanglement of one-dimensional spinless fermions. (Thesis). University of Vermont. Retrieved from https://scholarworks.uvm.edu/graddis/1052

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):

Casiano-Diaz, Emanuel. “Quantum entanglement of one-dimensional spinless fermions.” 2019. Thesis, University of Vermont. Accessed January 25, 2020. https://scholarworks.uvm.edu/graddis/1052.

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

MLA Handbook (7^th Edition):

Casiano-Diaz, Emanuel. “Quantum entanglement of one-dimensional spinless fermions.” 2019. Web. 25 Jan 2020.

Vancouver:

Casiano-Diaz E. Quantum entanglement of one-dimensional spinless fermions. [Internet] [Thesis]. University of Vermont; 2019. [cited 2020 Jan 25]. Available from: https://scholarworks.uvm.edu/graddis/1052.

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

Council of Science Editors:

Casiano-Diaz E. Quantum entanglement of one-dimensional spinless fermions. [Thesis]. University of Vermont; 2019. Available from: https://scholarworks.uvm.edu/graddis/1052

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

24. Zuckerman, Daniel M. Statistical Biophysics Blog: A hello: The point of this blog.

Degree: 2015, Oregon Health Sciences University

URL: doi:10.6083/M4PG1R8X ; http://digitalcommons.ohsu.edu/etd/3937

Subjects/Keywords: molecular dynamics simulation; statistical mechanics; biophysics; Other Biochemistry, Biophysics, and Structural Biology; Physical Chemistry; Statistical, Nonlinear, and Soft Matter Physics

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

APA (6^th Edition):

Zuckerman, D. M. (2015). Statistical Biophysics Blog: A hello: The point of this blog. (Thesis). Oregon Health Sciences University. Retrieved from doi:10.6083/M4PG1R8X ; http://digitalcommons.ohsu.edu/etd/3937

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):

Zuckerman, Daniel M. “Statistical Biophysics Blog: A hello: The point of this blog.” 2015. Thesis, Oregon Health Sciences University. Accessed January 25, 2020. doi:10.6083/M4PG1R8X ; http://digitalcommons.ohsu.edu/etd/3937.

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

MLA Handbook (7^th Edition):

Zuckerman, Daniel M. “Statistical Biophysics Blog: A hello: The point of this blog.” 2015. Web. 25 Jan 2020.

Vancouver:

Zuckerman DM. Statistical Biophysics Blog: A hello: The point of this blog. [Internet] [Thesis]. Oregon Health Sciences University; 2015. [cited 2020 Jan 25]. Available from: doi:10.6083/M4PG1R8X ; http://digitalcommons.ohsu.edu/etd/3937.

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

Council of Science Editors:

Zuckerman DM. Statistical Biophysics Blog: A hello: The point of this blog. [Thesis]. Oregon Health Sciences University; 2015. Available from: doi:10.6083/M4PG1R8X ; http://digitalcommons.ohsu.edu/etd/3937

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

25. Zuckerman, Daniel M. Statistical Biophysics Blog: “Proof” of the Hill Relation Between Probability Flux and Mean First-Passage Time.

Degree: 2015, Oregon Health Sciences University

URL: doi:10.6083/M4Q81CKN ; http://digitalcommons.ohsu.edu/etd/3944

Subjects/Keywords: molecular dynamics; trajectories; first passage time; Biochemistry, Biophysics, and Structural Biology; Biological and Chemical Physics; Statistical, Nonlinear, and Soft Matter Physics

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

APA (6^th Edition):

Zuckerman, D. M. (2015). Statistical Biophysics Blog: “Proof” of the Hill Relation Between Probability Flux and Mean First-Passage Time. (Thesis). Oregon Health Sciences University. Retrieved from doi:10.6083/M4Q81CKN ; http://digitalcommons.ohsu.edu/etd/3944

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):

Zuckerman, Daniel M. “Statistical Biophysics Blog: “Proof” of the Hill Relation Between Probability Flux and Mean First-Passage Time.” 2015. Thesis, Oregon Health Sciences University. Accessed January 25, 2020. doi:10.6083/M4Q81CKN ; http://digitalcommons.ohsu.edu/etd/3944.

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

MLA Handbook (7^th Edition):

Zuckerman, Daniel M. “Statistical Biophysics Blog: “Proof” of the Hill Relation Between Probability Flux and Mean First-Passage Time.” 2015. Web. 25 Jan 2020.

Vancouver:

Zuckerman DM. Statistical Biophysics Blog: “Proof” of the Hill Relation Between Probability Flux and Mean First-Passage Time. [Internet] [Thesis]. Oregon Health Sciences University; 2015. [cited 2020 Jan 25]. Available from: doi:10.6083/M4Q81CKN ; http://digitalcommons.ohsu.edu/etd/3944.

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

Council of Science Editors:

Zuckerman DM. Statistical Biophysics Blog: “Proof” of the Hill Relation Between Probability Flux and Mean First-Passage Time. [Thesis]. Oregon Health Sciences University; 2015. Available from: doi:10.6083/M4Q81CKN ; http://digitalcommons.ohsu.edu/etd/3944

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

26. Zuckerman, Daniel M. Statistical Biophysics Blog: Everything is Markovian; nothing is Markovian.

Degree: 2015, Oregon Health Sciences University

URL: doi:10.6083/M4736QFT ; http://digitalcommons.ohsu.edu/etd/3957

Subjects/Keywords: molecular dynamics simulation; Markov model; non-Markovian behavior; Biological and Chemical Physics; Biophysics; Physical Chemistry; Statistical, Nonlinear, and Soft Matter Physics

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

APA (6^th Edition):

Zuckerman, D. M. (2015). Statistical Biophysics Blog: Everything is Markovian; nothing is Markovian. (Thesis). Oregon Health Sciences University. Retrieved from doi:10.6083/M4736QFT ; http://digitalcommons.ohsu.edu/etd/3957

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):

Zuckerman, Daniel M. “Statistical Biophysics Blog: Everything is Markovian; nothing is Markovian.” 2015. Thesis, Oregon Health Sciences University. Accessed January 25, 2020. doi:10.6083/M4736QFT ; http://digitalcommons.ohsu.edu/etd/3957.

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

MLA Handbook (7^th Edition):

Zuckerman, Daniel M. “Statistical Biophysics Blog: Everything is Markovian; nothing is Markovian.” 2015. Web. 25 Jan 2020.

Vancouver:

Zuckerman DM. Statistical Biophysics Blog: Everything is Markovian; nothing is Markovian. [Internet] [Thesis]. Oregon Health Sciences University; 2015. [cited 2020 Jan 25]. Available from: doi:10.6083/M4736QFT ; http://digitalcommons.ohsu.edu/etd/3957.

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

Council of Science Editors:

Zuckerman DM. Statistical Biophysics Blog: Everything is Markovian; nothing is Markovian. [Thesis]. Oregon Health Sciences University; 2015. Available from: doi:10.6083/M4736QFT ; http://digitalcommons.ohsu.edu/etd/3957

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

University of New Mexico

27. Prakash, Divya Jyoti. Ion Size Effects on the Properties of Charge Regulating Electric Double Layers.

Degree: Nanoscience and Microsystems, 2017, University of New Mexico

URL: https://digitalrepository.unm.edu/nsms_etds/53

► The behavior of charged interfaces formed in various systems like colloidal solution, fuel cells, battery, electro-deposition, catalysis is governed by the properties of electrical… (more)

Subjects/Keywords: electrical double layer; size effects; ion size; charge regulation; surface charge; shear plane; Biological and Chemical Physics; Catalysis and Reaction Engineering; Complex Fluids; Computational Engineering; Membrane Science; Nanoscience and Nanotechnology; Statistical, Nonlinear, and Soft Matter Physics

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

APA (6^th Edition):

Prakash, D. J. (2017). Ion Size Effects on the Properties of Charge Regulating Electric Double Layers. (Masters Thesis). University of New Mexico. Retrieved from https://digitalrepository.unm.edu/nsms_etds/53

Chicago Manual of Style (16^th Edition):

Prakash, Divya Jyoti. “Ion Size Effects on the Properties of Charge Regulating Electric Double Layers.” 2017. Masters Thesis, University of New Mexico. Accessed January 25, 2020. https://digitalrepository.unm.edu/nsms_etds/53.

MLA Handbook (7^th Edition):

Prakash, Divya Jyoti. “Ion Size Effects on the Properties of Charge Regulating Electric Double Layers.” 2017. Web. 25 Jan 2020.

Vancouver:

Prakash DJ. Ion Size Effects on the Properties of Charge Regulating Electric Double Layers. [Internet] [Masters thesis]. University of New Mexico; 2017. [cited 2020 Jan 25]. Available from: https://digitalrepository.unm.edu/nsms_etds/53.

Council of Science Editors:

Prakash DJ. Ion Size Effects on the Properties of Charge Regulating Electric Double Layers. [Masters Thesis]. University of New Mexico; 2017. Available from: https://digitalrepository.unm.edu/nsms_etds/53

28. Russell, Travis H. Composition Dependence of the Flory-Huggins Interaction Parameter in Polymer Blends: Structural and Thermodynamic Calculations.

Degree: 2014, University of Tennessee – Knoxville

URL: https://trace.tennessee.edu/utk_graddiss/2853

► Flory-Huggins Theory has been the basis for understanding polymer solvent and blended polymer thermodynamics for much of the last 60 years. Within this theory, a… (more)

▼ Flory-Huggins Theory has been the basis for understanding polymer solvent and blended polymer thermodynamics for much of the last 60 years. Within this theory, a parameter (χ) [chi] was included to quantify the enthalpic energy of dispersion between distinct components. Thin film self-assembly of polymer melts and block copolymers depends critically on this parameter, and in application, χ has generally been assumed to be independent of the concentrations of the individual components of the system. However, Small-Angle Neutron Scattering data on isotopic polymer blends, such as polyethylene and deuterated polyethylene, have shown a roughly parabolic concentration dependency for χ. Therefore, an investigation of this concentration dependency was undertaken from both thermodynamic (χT) [chi T] and structural (χS) [chi S] theories. Thermodynamic information was obtained through thermodynamic integration with χT defined using the original Flory-Huggins theory, and structural calculations for χS were based on the Random Phase Approximation of de Gennes. Comparison of the two theories revealed that χT and χS possess unique composition dependencies; however, via an expression developed within the Random Phase Approximation involving the second derivative of the Gibbs free energy function with respect to composition, χT can be transformed into χS while sacrificing some information related to system specificity. Having investigated the composition dependencies of χT and χS, simulations were then performed to address the effects of wavenumber selection and chain length on the observed composition dependencies of χT and χS. Lastly, simulations on a polymer melt and its corresponding diblock copolymer were completed to investigate the differences in the characteristics of their interaction parameter composition dependencies. This study was inspired due to a desire to extend the original Flory-Huggins Theory to include a composition dependency for χ, thereby producing more accurate morphological data for polymeric systems, and develop more precise methods for calculation of the interaction parameter in polymer systems.

Subjects/Keywords: polymer; interaction; thermodynamic; composition; dependence; parameter; Polymer Chemistry; Polymer Science; Statistical, Nonlinear, and Soft Matter Physics

…Gaussian statistical segment lengths of the deuterated and protonated polymer components and… …considered symmetric due to significant changes in the local Gaussian statistical segment length…

11 more images…

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APA (6^th Edition):

Russell, T. H. (2014). Composition Dependence of the Flory-Huggins Interaction Parameter in Polymer Blends: Structural and Thermodynamic Calculations. (Doctoral Dissertation). University of Tennessee – Knoxville. Retrieved from https://trace.tennessee.edu/utk_graddiss/2853

Chicago Manual of Style (16^th Edition):

Russell, Travis H. “Composition Dependence of the Flory-Huggins Interaction Parameter in Polymer Blends: Structural and Thermodynamic Calculations.” 2014. Doctoral Dissertation, University of Tennessee – Knoxville. Accessed January 25, 2020. https://trace.tennessee.edu/utk_graddiss/2853.

MLA Handbook (7^th Edition):

Russell, Travis H. “Composition Dependence of the Flory-Huggins Interaction Parameter in Polymer Blends: Structural and Thermodynamic Calculations.” 2014. Web. 25 Jan 2020.

Vancouver:

Russell TH. Composition Dependence of the Flory-Huggins Interaction Parameter in Polymer Blends: Structural and Thermodynamic Calculations. [Internet] [Doctoral dissertation]. University of Tennessee – Knoxville; 2014. [cited 2020 Jan 25]. Available from: https://trace.tennessee.edu/utk_graddiss/2853.

Council of Science Editors:

Russell TH. Composition Dependence of the Flory-Huggins Interaction Parameter in Polymer Blends: Structural and Thermodynamic Calculations. [Doctoral Dissertation]. University of Tennessee – Knoxville; 2014. Available from: https://trace.tennessee.edu/utk_graddiss/2853

29. Zuckerman, Daniel M. Statistical Biophysics Blog: What I have against (most) PMF Calculations.

Degree: 2017, Oregon Health Sciences University

URL: doi:10.6083/M4G44PT3 ; https://digitalcommons.ohsu.edu/etd/3976

Subjects/Keywords: free energy; molecular dynamics simulation; biomolecules; statistical mechanics; mechanism; kinetics; Biochemistry, Biophysics, and Structural Biology; Biological and Chemical Physics; Physical Chemistry; Statistical, Nonlinear, and Soft Matter Physics

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

APA (6^th Edition):

Zuckerman, D. M. (2017). Statistical Biophysics Blog: What I have against (most) PMF Calculations. (Thesis). Oregon Health Sciences University. Retrieved from doi:10.6083/M4G44PT3 ; https://digitalcommons.ohsu.edu/etd/3976

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):

Zuckerman, Daniel M. “Statistical Biophysics Blog: What I have against (most) PMF Calculations.” 2017. Thesis, Oregon Health Sciences University. Accessed January 25, 2020. doi:10.6083/M4G44PT3 ; https://digitalcommons.ohsu.edu/etd/3976.

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

MLA Handbook (7^th Edition):

Zuckerman, Daniel M. “Statistical Biophysics Blog: What I have against (most) PMF Calculations.” 2017. Web. 25 Jan 2020.

Vancouver:

Zuckerman DM. Statistical Biophysics Blog: What I have against (most) PMF Calculations. [Internet] [Thesis]. Oregon Health Sciences University; 2017. [cited 2020 Jan 25]. Available from: doi:10.6083/M4G44PT3 ; https://digitalcommons.ohsu.edu/etd/3976.

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

Council of Science Editors:

Zuckerman DM. Statistical Biophysics Blog: What I have against (most) PMF Calculations. [Thesis]. Oregon Health Sciences University; 2017. Available from: doi:10.6083/M4G44PT3 ; https://digitalcommons.ohsu.edu/etd/3976

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

30. Zuckerman, Daniel M. Statistical Biophysics Blog: FAQ on Trajectory Ensembles.

Degree: 2015, Oregon Health Sciences University

URL: http://digitalcommons.ohsu.edu/etd/3965

Subjects/Keywords: molecular dynamics simulation; statistical mechanics; trajectories; trajectory ensemble; equilibrium; rate constant; Biological and Chemical Physics; Biophysics; Physical Chemistry; Statistical, Nonlinear, and Soft Matter Physics; Structural Biology

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

APA (6^th Edition):

Zuckerman, D. M. (2015). Statistical Biophysics Blog: FAQ on Trajectory Ensembles. (Thesis). Oregon Health Sciences University. Retrieved from http://digitalcommons.ohsu.edu/etd/3965

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):

Zuckerman, Daniel M. “Statistical Biophysics Blog: FAQ on Trajectory Ensembles.” 2015. Thesis, Oregon Health Sciences University. Accessed January 25, 2020. http://digitalcommons.ohsu.edu/etd/3965.

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

MLA Handbook (7^th Edition):

Zuckerman, Daniel M. “Statistical Biophysics Blog: FAQ on Trajectory Ensembles.” 2015. Web. 25 Jan 2020.

Vancouver:

Zuckerman DM. Statistical Biophysics Blog: FAQ on Trajectory Ensembles. [Internet] [Thesis]. Oregon Health Sciences University; 2015. [cited 2020 Jan 25]. Available from: http://digitalcommons.ohsu.edu/etd/3965.

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

Council of Science Editors:

Zuckerman DM. Statistical Biophysics Blog: FAQ on Trajectory Ensembles. [Thesis]. Oregon Health Sciences University; 2015. Available from: http://digitalcommons.ohsu.edu/etd/3965

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

Open Access Theses and Dissertations