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Dept: Materials Science and Engineering

You searched for subject:( Molecular Dynamics). Showing records 1 – 30 of 46 total matches.

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1. Zhang, Hanyu. ANALYZING THE SHORT-RANGE ORDER OF METALLIC GLASS THROUGH X-RAY ABSORPTION FINE STRUCTURE (XAFS) SPECTROSCOPY.

Degree: M. Eng., Materials Science and Engineering, 2019, Case Western Reserve University School of Graduate Studies

 This project aims to see if using x-ray absorption fine structure (XAFS) spectroscopy as an experimental technique would be enough to decide on the validity… (more)

Subjects/Keywords: Materials Science; XAFS; Metallic Glass; Molecular Dynamics

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APA (6th Edition):

Zhang, H. (2019). ANALYZING THE SHORT-RANGE ORDER OF METALLIC GLASS THROUGH X-RAY ABSORPTION FINE STRUCTURE (XAFS) SPECTROSCOPY. (Masters Thesis). Case Western Reserve University School of Graduate Studies. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=case1554911796709215

Chicago Manual of Style (16th Edition):

Zhang, Hanyu. “ANALYZING THE SHORT-RANGE ORDER OF METALLIC GLASS THROUGH X-RAY ABSORPTION FINE STRUCTURE (XAFS) SPECTROSCOPY.” 2019. Masters Thesis, Case Western Reserve University School of Graduate Studies. Accessed October 18, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=case1554911796709215.

MLA Handbook (7th Edition):

Zhang, Hanyu. “ANALYZING THE SHORT-RANGE ORDER OF METALLIC GLASS THROUGH X-RAY ABSORPTION FINE STRUCTURE (XAFS) SPECTROSCOPY.” 2019. Web. 18 Oct 2019.

Vancouver:

Zhang H. ANALYZING THE SHORT-RANGE ORDER OF METALLIC GLASS THROUGH X-RAY ABSORPTION FINE STRUCTURE (XAFS) SPECTROSCOPY. [Internet] [Masters thesis]. Case Western Reserve University School of Graduate Studies; 2019. [cited 2019 Oct 18]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1554911796709215.

Council of Science Editors:

Zhang H. ANALYZING THE SHORT-RANGE ORDER OF METALLIC GLASS THROUGH X-RAY ABSORPTION FINE STRUCTURE (XAFS) SPECTROSCOPY. [Masters Thesis]. Case Western Reserve University School of Graduate Studies; 2019. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1554911796709215


Georgia Tech

2. Lee, Seung Geol. Structure-property relationship of hydrogel: molecular dynamics simulation approach.

Degree: PhD, Materials Science and Engineering, 2011, Georgia Tech

 We have used a molecular modeling of both random and blocky sequence hydrogel networks of poly(N-vinyl-2-pyrrolidone-co-2-hydroxyethyl methacrylate) (P(VP-co-HEMA)) with a composition of VP:HEMA = 37:13… (more)

Subjects/Keywords: NIPAAm; Mechanical properties; Transport properties; VP-co-HEMA; Hydrogels; Molecular dynamics simulation; Colloids; Nanogels; Molecular dynamics

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APA (6th Edition):

Lee, S. G. (2011). Structure-property relationship of hydrogel: molecular dynamics simulation approach. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/44844

Chicago Manual of Style (16th Edition):

Lee, Seung Geol. “Structure-property relationship of hydrogel: molecular dynamics simulation approach.” 2011. Doctoral Dissertation, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/44844.

MLA Handbook (7th Edition):

Lee, Seung Geol. “Structure-property relationship of hydrogel: molecular dynamics simulation approach.” 2011. Web. 18 Oct 2019.

Vancouver:

Lee SG. Structure-property relationship of hydrogel: molecular dynamics simulation approach. [Internet] [Doctoral dissertation]. Georgia Tech; 2011. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/44844.

Council of Science Editors:

Lee SG. Structure-property relationship of hydrogel: molecular dynamics simulation approach. [Doctoral Dissertation]. Georgia Tech; 2011. Available from: http://hdl.handle.net/1853/44844


Virginia Tech

3. Smith, Laura Anne Patrick. Atomistic Molecular Dynamics Studies of Grain Boundary Structure and Deformation Response in Metallic Nanostructures.

Degree: PhD, Materials Science and Engineering, 2014, Virginia Tech

 The research reported in this dissertation focuses on the response of grain boundaries in polycrystalline metallic nanostructures to applied strain using molecular dynamics simulations and… (more)

Subjects/Keywords: grain boundaries; molecular dynamics; nanocrystalline; molecular dynamics simulation; LAMMPS; mechanical response; strain rate; plastic strain; interatomic potentials

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APA (6th Edition):

Smith, L. A. P. (2014). Atomistic Molecular Dynamics Studies of Grain Boundary Structure and Deformation Response in Metallic Nanostructures. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/47802

Chicago Manual of Style (16th Edition):

Smith, Laura Anne Patrick. “Atomistic Molecular Dynamics Studies of Grain Boundary Structure and Deformation Response in Metallic Nanostructures.” 2014. Doctoral Dissertation, Virginia Tech. Accessed October 18, 2019. http://hdl.handle.net/10919/47802.

MLA Handbook (7th Edition):

Smith, Laura Anne Patrick. “Atomistic Molecular Dynamics Studies of Grain Boundary Structure and Deformation Response in Metallic Nanostructures.” 2014. Web. 18 Oct 2019.

Vancouver:

Smith LAP. Atomistic Molecular Dynamics Studies of Grain Boundary Structure and Deformation Response in Metallic Nanostructures. [Internet] [Doctoral dissertation]. Virginia Tech; 2014. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/10919/47802.

Council of Science Editors:

Smith LAP. Atomistic Molecular Dynamics Studies of Grain Boundary Structure and Deformation Response in Metallic Nanostructures. [Doctoral Dissertation]. Virginia Tech; 2014. Available from: http://hdl.handle.net/10919/47802


The Ohio State University

4. Askin, Joshua Wayne. Atomic-Level Simulation of Deformation in Nanocrystalline Materials and Metallic Glasses.

Degree: PhD, Materials Science and Engineering, 2011, The Ohio State University

  Structural materials show novel properties with decreasing microstructural feature size, particularly in the nanocrystalline regime to the amorphous limit of grain size reduction. These… (more)

Subjects/Keywords: Materials Science; Molecular Dynamics; Bulk Metallic Glass; Grain boundary; dislocation

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APA (6th Edition):

Askin, J. W. (2011). Atomic-Level Simulation of Deformation in Nanocrystalline Materials and Metallic Glasses. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1293725272

Chicago Manual of Style (16th Edition):

Askin, Joshua Wayne. “Atomic-Level Simulation of Deformation in Nanocrystalline Materials and Metallic Glasses.” 2011. Doctoral Dissertation, The Ohio State University. Accessed October 18, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1293725272.

MLA Handbook (7th Edition):

Askin, Joshua Wayne. “Atomic-Level Simulation of Deformation in Nanocrystalline Materials and Metallic Glasses.” 2011. Web. 18 Oct 2019.

Vancouver:

Askin JW. Atomic-Level Simulation of Deformation in Nanocrystalline Materials and Metallic Glasses. [Internet] [Doctoral dissertation]. The Ohio State University; 2011. [cited 2019 Oct 18]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1293725272.

Council of Science Editors:

Askin JW. Atomic-Level Simulation of Deformation in Nanocrystalline Materials and Metallic Glasses. [Doctoral Dissertation]. The Ohio State University; 2011. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1293725272


Georgia Tech

5. Dong, Xin. Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture.

Degree: PhD, Materials Science and Engineering, 2015, Georgia Tech

 Partially oriented polymeric structures such as semi-crystalline polymers and liquid crystalline polymers/elastomer cover a wide range of synthetic and natural polymeric materials. Owing to the… (more)

Subjects/Keywords: Semi-crystalline polymer; Liquid crystalline elastomer; Molecular dynamics; Azobenzene; Photoresponsive; Actuator

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APA (6th Edition):

Dong, X. (2015). Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/55506

Chicago Manual of Style (16th Edition):

Dong, Xin. “Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture.” 2015. Doctoral Dissertation, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/55506.

MLA Handbook (7th Edition):

Dong, Xin. “Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture.” 2015. Web. 18 Oct 2019.

Vancouver:

Dong X. Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture. [Internet] [Doctoral dissertation]. Georgia Tech; 2015. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/55506.

Council of Science Editors:

Dong X. Dependence of mechanical properties of partially oriented polymeric systems on chemical structure and molecular architecture. [Doctoral Dissertation]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/55506


Virginia Tech

6. Floyd, Niklas Paul. Energetics and Deformation Response of Random Grain Boundaries in FCC Nickel.

Degree: MS, Materials Science and Engineering, 2010, Virginia Tech

Molecular dynamics simulations are use to study the energetics and deformation response of random grain boundaries in polycrystalline Nickel. Computer generated samples of defect-free Ni… (more)

Subjects/Keywords: deformation; crack nucleation; molecular dynamics; nickel; random grain boundaries

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APA (6th Edition):

Floyd, N. P. (2010). Energetics and Deformation Response of Random Grain Boundaries in FCC Nickel. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/33001

Chicago Manual of Style (16th Edition):

Floyd, Niklas Paul. “Energetics and Deformation Response of Random Grain Boundaries in FCC Nickel.” 2010. Masters Thesis, Virginia Tech. Accessed October 18, 2019. http://hdl.handle.net/10919/33001.

MLA Handbook (7th Edition):

Floyd, Niklas Paul. “Energetics and Deformation Response of Random Grain Boundaries in FCC Nickel.” 2010. Web. 18 Oct 2019.

Vancouver:

Floyd NP. Energetics and Deformation Response of Random Grain Boundaries in FCC Nickel. [Internet] [Masters thesis]. Virginia Tech; 2010. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/10919/33001.

Council of Science Editors:

Floyd NP. Energetics and Deformation Response of Random Grain Boundaries in FCC Nickel. [Masters Thesis]. Virginia Tech; 2010. Available from: http://hdl.handle.net/10919/33001


Virginia Tech

7. Kuhr, Bryan Richard. Modeling the Role of Surfaces and Grain Boundaries in Plastic Deformation.

Degree: PhD, Materials Science and Engineering, 2017, Virginia Tech

 In this dissertation, simulation techniques are used to understand the role of surfaces and grain boundaries in the deformation response of metallic materials. This research… (more)

Subjects/Keywords: Molecular Dynamics; Grain Boundaries; FCC Metals; Plasticity; Deformation

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APA (6th Edition):

Kuhr, B. R. (2017). Modeling the Role of Surfaces and Grain Boundaries in Plastic Deformation. (Doctoral Dissertation). Virginia Tech. Retrieved from http://hdl.handle.net/10919/78704

Chicago Manual of Style (16th Edition):

Kuhr, Bryan Richard. “Modeling the Role of Surfaces and Grain Boundaries in Plastic Deformation.” 2017. Doctoral Dissertation, Virginia Tech. Accessed October 18, 2019. http://hdl.handle.net/10919/78704.

MLA Handbook (7th Edition):

Kuhr, Bryan Richard. “Modeling the Role of Surfaces and Grain Boundaries in Plastic Deformation.” 2017. Web. 18 Oct 2019.

Vancouver:

Kuhr BR. Modeling the Role of Surfaces and Grain Boundaries in Plastic Deformation. [Internet] [Doctoral dissertation]. Virginia Tech; 2017. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/10919/78704.

Council of Science Editors:

Kuhr BR. Modeling the Role of Surfaces and Grain Boundaries in Plastic Deformation. [Doctoral Dissertation]. Virginia Tech; 2017. Available from: http://hdl.handle.net/10919/78704


North Carolina State University

8. Schall, James David. Computational Modeling: Nanoindentation and An Ad Hoc Molecular Dynamics-Finite Difference Thermostat.

Degree: PhD, Materials Science and Engineering, 2004, North Carolina State University

 Due to anharmonicities in atomic interactions it is expected that the indentation modulus should very with pre-existing stress in the substrate. However, Tsui, Pharr and… (more)

Subjects/Keywords: EAM; thermostat; molecular dynamics; nanoindentation

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APA (6th Edition):

Schall, J. D. (2004). Computational Modeling: Nanoindentation and An Ad Hoc Molecular Dynamics-Finite Difference Thermostat. (Doctoral Dissertation). North Carolina State University. Retrieved from http://www.lib.ncsu.edu/resolver/1840.16/4344

Chicago Manual of Style (16th Edition):

Schall, James David. “Computational Modeling: Nanoindentation and An Ad Hoc Molecular Dynamics-Finite Difference Thermostat.” 2004. Doctoral Dissertation, North Carolina State University. Accessed October 18, 2019. http://www.lib.ncsu.edu/resolver/1840.16/4344.

MLA Handbook (7th Edition):

Schall, James David. “Computational Modeling: Nanoindentation and An Ad Hoc Molecular Dynamics-Finite Difference Thermostat.” 2004. Web. 18 Oct 2019.

Vancouver:

Schall JD. Computational Modeling: Nanoindentation and An Ad Hoc Molecular Dynamics-Finite Difference Thermostat. [Internet] [Doctoral dissertation]. North Carolina State University; 2004. [cited 2019 Oct 18]. Available from: http://www.lib.ncsu.edu/resolver/1840.16/4344.

Council of Science Editors:

Schall JD. Computational Modeling: Nanoindentation and An Ad Hoc Molecular Dynamics-Finite Difference Thermostat. [Doctoral Dissertation]. North Carolina State University; 2004. Available from: http://www.lib.ncsu.edu/resolver/1840.16/4344


Virginia Tech

9. French, Jarin C. Molecular Dynamics Studies of Anisotropy in Grain Boundary Energy and Mobility in UO₂.

Degree: MS, Materials Science and Engineering, 2019, Virginia Tech

 Energy needs in the world increase year after year. As part of the effort to address these increasing needs, an increasing effort is needed to… (more)

Subjects/Keywords: Grain boundary energy; Grain boundary mobility; Anisotropy; Uranium dioxide; Molecular dynamics

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APA (6th Edition):

French, J. C. (2019). Molecular Dynamics Studies of Anisotropy in Grain Boundary Energy and Mobility in UO₂. (Masters Thesis). Virginia Tech. Retrieved from http://hdl.handle.net/10919/89643

Chicago Manual of Style (16th Edition):

French, Jarin C. “Molecular Dynamics Studies of Anisotropy in Grain Boundary Energy and Mobility in UO₂.” 2019. Masters Thesis, Virginia Tech. Accessed October 18, 2019. http://hdl.handle.net/10919/89643.

MLA Handbook (7th Edition):

French, Jarin C. “Molecular Dynamics Studies of Anisotropy in Grain Boundary Energy and Mobility in UO₂.” 2019. Web. 18 Oct 2019.

Vancouver:

French JC. Molecular Dynamics Studies of Anisotropy in Grain Boundary Energy and Mobility in UO₂. [Internet] [Masters thesis]. Virginia Tech; 2019. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/10919/89643.

Council of Science Editors:

French JC. Molecular Dynamics Studies of Anisotropy in Grain Boundary Energy and Mobility in UO₂. [Masters Thesis]. Virginia Tech; 2019. Available from: http://hdl.handle.net/10919/89643


Georgia Tech

10. Lohse, Alexander Mark. Structure-Property Relationships from Molecular Simulation of Polymeric Matrix Composites.

Degree: PhD, Materials Science and Engineering, 2018, Georgia Tech

 The use of composite materials has risen significantly over the past several decades as many industries begin to take advantage of the high specific strength,… (more)

Subjects/Keywords: Molecular dynamics; Polymeric matrix composites; Covalent adaptable networks; ReaxFF; Carbon fiber

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APA (6th Edition):

Lohse, A. M. (2018). Structure-Property Relationships from Molecular Simulation of Polymeric Matrix Composites. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/61664

Chicago Manual of Style (16th Edition):

Lohse, Alexander Mark. “Structure-Property Relationships from Molecular Simulation of Polymeric Matrix Composites.” 2018. Doctoral Dissertation, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/61664.

MLA Handbook (7th Edition):

Lohse, Alexander Mark. “Structure-Property Relationships from Molecular Simulation of Polymeric Matrix Composites.” 2018. Web. 18 Oct 2019.

Vancouver:

Lohse AM. Structure-Property Relationships from Molecular Simulation of Polymeric Matrix Composites. [Internet] [Doctoral dissertation]. Georgia Tech; 2018. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/61664.

Council of Science Editors:

Lohse AM. Structure-Property Relationships from Molecular Simulation of Polymeric Matrix Composites. [Doctoral Dissertation]. Georgia Tech; 2018. Available from: http://hdl.handle.net/1853/61664


University of Florida

11. Barry, Peter. Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation.

Degree: PhD, Materials Science and Engineering, 2009, University of Florida

 Polytetrafluoroethylene (PTFE) is a polymer that has been widely exploited commercially as a result of its low friction, non-stick properties. The polymer has found usage… (more)

Subjects/Keywords: Atoms; Carbon; Coefficient of friction; Friction; Molecular chains; Molecules; Polymers; Simulations; Sliding; Violins; atomistic, dynamics, friction, molecular, ptfe, simulation, tribology

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APA (6th Edition):

Barry, P. (2009). Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0041118

Chicago Manual of Style (16th Edition):

Barry, Peter. “Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation.” 2009. Doctoral Dissertation, University of Florida. Accessed October 18, 2019. http://ufdc.ufl.edu/UFE0041118.

MLA Handbook (7th Edition):

Barry, Peter. “Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation.” 2009. Web. 18 Oct 2019.

Vancouver:

Barry P. Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2019 Oct 18]. Available from: http://ufdc.ufl.edu/UFE0041118.

Council of Science Editors:

Barry P. Elucidation of Atomic Scale Mechanisms for Polytetrafluoroethylene Tribology Using Molecular Dynamics Simulation. [Doctoral Dissertation]. University of Florida; 2009. Available from: http://ufdc.ufl.edu/UFE0041118

12. Li, Yao. Atomistic modeling of environmental aging of epoxy resins.

Degree: PhD, Materials Science and Engineering, 2012, Georgia Tech

 In this work, epoxy resins were modeled using all atom representations in nanoscale simulation boxes. Tetrafunctional epoxy and corresponding multifunctional amine were chosen as model… (more)

Subjects/Keywords: Molecular dynamics; Simulation; Epoxy; Epoxy resins; Aging; Molecular dynamics

…the metal surface, (a) before and (b) after Molecular Dynamics. [54… …bisphenol A fs femtosecond MD Molecular dynamics nm nanometer PA primary amine ps… …equilibrated using molecular dynamics and a suitable potential function, known as force field… …considered. The most popular methods include molecular mechanics (MM), molecular dynamics… …1.2.3 Molecular dynamics Molecular Dynamics (MD) is a simulation methodology based… 

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APA (6th Edition):

Li, Y. (2012). Atomistic modeling of environmental aging of epoxy resins. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/43633

Chicago Manual of Style (16th Edition):

Li, Yao. “Atomistic modeling of environmental aging of epoxy resins.” 2012. Doctoral Dissertation, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/43633.

MLA Handbook (7th Edition):

Li, Yao. “Atomistic modeling of environmental aging of epoxy resins.” 2012. Web. 18 Oct 2019.

Vancouver:

Li Y. Atomistic modeling of environmental aging of epoxy resins. [Internet] [Doctoral dissertation]. Georgia Tech; 2012. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/43633.

Council of Science Editors:

Li Y. Atomistic modeling of environmental aging of epoxy resins. [Doctoral Dissertation]. Georgia Tech; 2012. Available from: http://hdl.handle.net/1853/43633


Penn State University

13. Masser, Hanqing. Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy.

Degree: PhD, Materials Science and Engineering, 2013, Penn State University

 A molecular level understanding of the ion transport mechanism within polymer electrolytes is crucial to the further development for advanced energy storage applications. This can… (more)

Subjects/Keywords: infrared spectroscopy; ionomer; ion association states; dielectric; ion conduction; lithium ion; molecular dynamics

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APA (6th Edition):

Masser, H. (2013). Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/19351

Chicago Manual of Style (16th Edition):

Masser, Hanqing. “Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy.” 2013. Doctoral Dissertation, Penn State University. Accessed October 18, 2019. https://etda.libraries.psu.edu/catalog/19351.

MLA Handbook (7th Edition):

Masser, Hanqing. “Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy.” 2013. Web. 18 Oct 2019.

Vancouver:

Masser H. Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy. [Internet] [Doctoral dissertation]. Penn State University; 2013. [cited 2019 Oct 18]. Available from: https://etda.libraries.psu.edu/catalog/19351.

Council of Science Editors:

Masser H. Understanding Ion Association States and Molecular Dynamics Using Infrared Spectroscopy. [Doctoral Dissertation]. Penn State University; 2013. Available from: https://etda.libraries.psu.edu/catalog/19351


Penn State University

14. Castellanos Mantilla, Maria Monica. Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations.

Degree: PhD, Materials Science and Engineering, 2014, Penn State University

 Aggregation of therapeutic proteins is currently one of the major challenges in the bio-pharmaceutical industry, because aggregates could induce immunogenic responses and compromise the quality… (more)

Subjects/Keywords: protein aggregation; protein rheology; neutron scattering; monoclonal antibody; molecular dynamics; viscosity; yield stress

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APA (6th Edition):

Castellanos Mantilla, M. M. (2014). Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations. (Doctoral Dissertation). Penn State University. Retrieved from https://etda.libraries.psu.edu/catalog/23635

Chicago Manual of Style (16th Edition):

Castellanos Mantilla, Maria Monica. “Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations.” 2014. Doctoral Dissertation, Penn State University. Accessed October 18, 2019. https://etda.libraries.psu.edu/catalog/23635.

MLA Handbook (7th Edition):

Castellanos Mantilla, Maria Monica. “Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations.” 2014. Web. 18 Oct 2019.

Vancouver:

Castellanos Mantilla MM. Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations. [Internet] [Doctoral dissertation]. Penn State University; 2014. [cited 2019 Oct 18]. Available from: https://etda.libraries.psu.edu/catalog/23635.

Council of Science Editors:

Castellanos Mantilla MM. Aggregation in concentrated protein solutions: insights from rheology, neutron scattering and molecular simulations. [Doctoral Dissertation]. Penn State University; 2014. Available from: https://etda.libraries.psu.edu/catalog/23635


UCLA

15. Cunningham, Krystal. Reconstructing Ancient “Cobalt Blue” Technology from an Experimental and Theoretical Approach.

Degree: Materials Science and Engineering, 2019, UCLA

 One of the earliest examples of synthetic pigments is ‘cobalt blue’ or ‘Amarna blue’, which was produced in Egypt 3500 years ago during the New… (more)

Subjects/Keywords: Materials Science; Archaeology; Computational chemistry; Ancient Materials; Archaeology; Ceramics; Chemistry; Computations; Molecular Dynamics

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APA (6th Edition):

Cunningham, K. (2019). Reconstructing Ancient “Cobalt Blue” Technology from an Experimental and Theoretical Approach. (Thesis). UCLA. Retrieved from http://www.escholarship.org/uc/item/5jx104b9

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

Chicago Manual of Style (16th Edition):

Cunningham, Krystal. “Reconstructing Ancient “Cobalt Blue” Technology from an Experimental and Theoretical Approach.” 2019. Thesis, UCLA. Accessed October 18, 2019. http://www.escholarship.org/uc/item/5jx104b9.

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

MLA Handbook (7th Edition):

Cunningham, Krystal. “Reconstructing Ancient “Cobalt Blue” Technology from an Experimental and Theoretical Approach.” 2019. Web. 18 Oct 2019.

Vancouver:

Cunningham K. Reconstructing Ancient “Cobalt Blue” Technology from an Experimental and Theoretical Approach. [Internet] [Thesis]. UCLA; 2019. [cited 2019 Oct 18]. Available from: http://www.escholarship.org/uc/item/5jx104b9.

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

Council of Science Editors:

Cunningham K. Reconstructing Ancient “Cobalt Blue” Technology from an Experimental and Theoretical Approach. [Thesis]. UCLA; 2019. Available from: http://www.escholarship.org/uc/item/5jx104b9

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


Georgia Tech

16. Yoo, Hanjong. Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field.

Degree: MS, Materials Science and Engineering, 2015, Georgia Tech

 The power conversion efficiencies for the organic photovoltaic cells containing active layers of electron donors and acceptors are dependent of three morphological properties, namely the… (more)

Subjects/Keywords: Organic photovoltaics; Polymer; Organic materials; Molecular dynamics simulation; Force field; Coarse-grained model

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APA (6th Edition):

Yoo, H. (2015). Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/56226

Chicago Manual of Style (16th Edition):

Yoo, Hanjong. “Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field.” 2015. Masters Thesis, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/56226.

MLA Handbook (7th Edition):

Yoo, Hanjong. “Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field.” 2015. Web. 18 Oct 2019.

Vancouver:

Yoo H. Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field. [Internet] [Masters thesis]. Georgia Tech; 2015. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/56226.

Council of Science Editors:

Yoo H. Multi-scale modeling of poly(3-hexylthiophene) and [6,6]-phenyl-c61-butyric acid methyl ester using coarse grained force field derived from DFT based atomistic force field. [Masters Thesis]. Georgia Tech; 2015. Available from: http://hdl.handle.net/1853/56226

17. Shao, Chen. Molecular Dynamics Study of Heat Transfer between Dissimilar Materials.

Degree: PhD, Materials Science and Engineering, 2014, University of Michigan

 In this thesis, molecular dynamics (MD) simulations are used to understand heat transfer process between dissimilar materials. New MD force field parameters for copper phthalocyanine… (more)

Subjects/Keywords: Heat Transfer; Molecular Dynamics; CuPc; PVDF; Organic Materials; Materials Science and Engineering; Engineering

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APA (6th Edition):

Shao, C. (2014). Molecular Dynamics Study of Heat Transfer between Dissimilar Materials. (Doctoral Dissertation). University of Michigan. Retrieved from http://hdl.handle.net/2027.42/107093

Chicago Manual of Style (16th Edition):

Shao, Chen. “Molecular Dynamics Study of Heat Transfer between Dissimilar Materials.” 2014. Doctoral Dissertation, University of Michigan. Accessed October 18, 2019. http://hdl.handle.net/2027.42/107093.

MLA Handbook (7th Edition):

Shao, Chen. “Molecular Dynamics Study of Heat Transfer between Dissimilar Materials.” 2014. Web. 18 Oct 2019.

Vancouver:

Shao C. Molecular Dynamics Study of Heat Transfer between Dissimilar Materials. [Internet] [Doctoral dissertation]. University of Michigan; 2014. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/2027.42/107093.

Council of Science Editors:

Shao C. Molecular Dynamics Study of Heat Transfer between Dissimilar Materials. [Doctoral Dissertation]. University of Michigan; 2014. Available from: http://hdl.handle.net/2027.42/107093


The Ohio State University

18. Agrawal, Anupriya. Computational Study of Vanadate and Bulk Metallic Glasses.

Degree: PhD, Materials Science and Engineering, 2012, The Ohio State University

  The foundation of materials science is the structure-property relationship of materials. The structure of materials can be described at various length scales like macroscopic,… (more)

Subjects/Keywords: Condensed Matter Physics; Engineering; Materials Science; Metallurgy; Molecular Chemistry; Molecular Physics; Computational Materials Science; Molecular Dynamics; Bulk Metallic glasses; Deformation Behavior; Beryllium

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APA (6th Edition):

Agrawal, A. (2012). Computational Study of Vanadate and Bulk Metallic Glasses. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1345536954

Chicago Manual of Style (16th Edition):

Agrawal, Anupriya. “Computational Study of Vanadate and Bulk Metallic Glasses.” 2012. Doctoral Dissertation, The Ohio State University. Accessed October 18, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1345536954.

MLA Handbook (7th Edition):

Agrawal, Anupriya. “Computational Study of Vanadate and Bulk Metallic Glasses.” 2012. Web. 18 Oct 2019.

Vancouver:

Agrawal A. Computational Study of Vanadate and Bulk Metallic Glasses. [Internet] [Doctoral dissertation]. The Ohio State University; 2012. [cited 2019 Oct 18]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1345536954.

Council of Science Editors:

Agrawal A. Computational Study of Vanadate and Bulk Metallic Glasses. [Doctoral Dissertation]. The Ohio State University; 2012. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1345536954


University of Florida

19. Li, Yangzhong. Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials.

Degree: PhD, Materials Science and Engineering, 2014, University of Florida

 Nuclear energy is a sustainable and renewable energy source for the future. Thermal reactors and fast reactors in nuclear plants use uranium dioxide, UO2, or… (more)

Subjects/Keywords: Alloys; Atomic interactions; Atoms; Energy; Grain boundaries; Hardness; Oxygen; Simulations; Single crystals; Uranium; comb  – dynamics  – material  – molecular  – nuclear  – simulation

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APA (6th Edition):

Li, Y. (2014). Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0046618

Chicago Manual of Style (16th Edition):

Li, Yangzhong. “Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials.” 2014. Doctoral Dissertation, University of Florida. Accessed October 18, 2019. http://ufdc.ufl.edu/UFE0046618.

MLA Handbook (7th Edition):

Li, Yangzhong. “Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials.” 2014. Web. 18 Oct 2019.

Vancouver:

Li Y. Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials. [Internet] [Doctoral dissertation]. University of Florida; 2014. [cited 2019 Oct 18]. Available from: http://ufdc.ufl.edu/UFE0046618.

Council of Science Editors:

Li Y. Molecular Dynamics Simulation of Defected Structures by COMB and EAM Potentials. [Doctoral Dissertation]. University of Florida; 2014. Available from: http://ufdc.ufl.edu/UFE0046618


University of Florida

20. Chiu, Patrick. Computational Modeling of Atomistic Phenomena at the Interface.

Degree: PhD, Materials Science and Engineering, 2009, University of Florida

 As the design of devices and applications becomes increasing complex, the interfaces of advanced materials have a pervasive influence on a variety of engineered properties.… (more)

Subjects/Keywords: Adhesives; Atoms; Coefficient of friction; Counter rotation; Crosslinking; Grain boundaries; Micelles; Simulations; Sliding; Surfactants; dynamics, molecular, tribology

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APA (6th Edition):

Chiu, P. (2009). Computational Modeling of Atomistic Phenomena at the Interface. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0024892

Chicago Manual of Style (16th Edition):

Chiu, Patrick. “Computational Modeling of Atomistic Phenomena at the Interface.” 2009. Doctoral Dissertation, University of Florida. Accessed October 18, 2019. http://ufdc.ufl.edu/UFE0024892.

MLA Handbook (7th Edition):

Chiu, Patrick. “Computational Modeling of Atomistic Phenomena at the Interface.” 2009. Web. 18 Oct 2019.

Vancouver:

Chiu P. Computational Modeling of Atomistic Phenomena at the Interface. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2019 Oct 18]. Available from: http://ufdc.ufl.edu/UFE0024892.

Council of Science Editors:

Chiu P. Computational Modeling of Atomistic Phenomena at the Interface. [Doctoral Dissertation]. University of Florida; 2009. Available from: http://ufdc.ufl.edu/UFE0024892


Texas A&M University

21. Liu, Tung Yan. Atomistic Simulations of the Viscoelastic Response of a Model Single-Crystal Equiatomic Solid Solution.

Degree: MS, Materials Science and Engineering, 2018, Texas A&M University

 We use molecular dynamics simulations of cyclic deformation to investigate the viscoelastic response of two-component, defect-free, face-centered cubic equiatomic solid solutions (ESSs). Rather than simulate… (more)

Subjects/Keywords: Equiatomic solid solution; viscoelastic response; atomistic simulations; molecular dynamics; mechanical properties; concentrated alloys; linear viscoelasticity; Lennard Jones potential

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APA (6th Edition):

Liu, T. Y. (2018). Atomistic Simulations of the Viscoelastic Response of a Model Single-Crystal Equiatomic Solid Solution. (Masters Thesis). Texas A&M University. Retrieved from http://hdl.handle.net/1969.1/173339

Chicago Manual of Style (16th Edition):

Liu, Tung Yan. “Atomistic Simulations of the Viscoelastic Response of a Model Single-Crystal Equiatomic Solid Solution.” 2018. Masters Thesis, Texas A&M University. Accessed October 18, 2019. http://hdl.handle.net/1969.1/173339.

MLA Handbook (7th Edition):

Liu, Tung Yan. “Atomistic Simulations of the Viscoelastic Response of a Model Single-Crystal Equiatomic Solid Solution.” 2018. Web. 18 Oct 2019.

Vancouver:

Liu TY. Atomistic Simulations of the Viscoelastic Response of a Model Single-Crystal Equiatomic Solid Solution. [Internet] [Masters thesis]. Texas A&M University; 2018. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1969.1/173339.

Council of Science Editors:

Liu TY. Atomistic Simulations of the Viscoelastic Response of a Model Single-Crystal Equiatomic Solid Solution. [Masters Thesis]. Texas A&M University; 2018. Available from: http://hdl.handle.net/1969.1/173339


Georgia Tech

22. Gomberg, Joshua A. Data-driven PSP linkages for atomistic datasets.

Degree: PhD, Materials Science and Engineering, 2017, Georgia Tech

 For a variety of materials, atomic-scale modeling techniques are commonly employed as a means of investigating fundamental properties, including both structural and chemical responses. While… (more)

Subjects/Keywords: Grain boundaries; Materials informatics; Molecular dynamics; Pair correlation function; Principal component analysis; Process-structure-property linkage; Interatomic potentials; Multiscale modeling

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APA (6th Edition):

Gomberg, J. A. (2017). Data-driven PSP linkages for atomistic datasets. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/60125

Chicago Manual of Style (16th Edition):

Gomberg, Joshua A. “Data-driven PSP linkages for atomistic datasets.” 2017. Doctoral Dissertation, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/60125.

MLA Handbook (7th Edition):

Gomberg, Joshua A. “Data-driven PSP linkages for atomistic datasets.” 2017. Web. 18 Oct 2019.

Vancouver:

Gomberg JA. Data-driven PSP linkages for atomistic datasets. [Internet] [Doctoral dissertation]. Georgia Tech; 2017. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/60125.

Council of Science Editors:

Gomberg JA. Data-driven PSP linkages for atomistic datasets. [Doctoral Dissertation]. Georgia Tech; 2017. Available from: http://hdl.handle.net/1853/60125


North Carolina State University

23. Jang, Seonhee. Molecular Dynamics Simulations of Plastic Deformation in Nanocrystalline Metal and Alloy.

Degree: PhD, Materials Science and Engineering, 2007, North Carolina State University

 Nanocrystalline metals have different mechanical properties from conventional grain sized metals. Hardness and yield strength have been found to increase with decreasing grain size in… (more)

Subjects/Keywords: grain boundaries; dislocation; deformation; nanocrystalline; molecular dynamics simulations

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APA (6th Edition):

Jang, S. (2007). Molecular Dynamics Simulations of Plastic Deformation in Nanocrystalline Metal and Alloy. (Doctoral Dissertation). North Carolina State University. Retrieved from http://www.lib.ncsu.edu/resolver/1840.16/5086

Chicago Manual of Style (16th Edition):

Jang, Seonhee. “Molecular Dynamics Simulations of Plastic Deformation in Nanocrystalline Metal and Alloy.” 2007. Doctoral Dissertation, North Carolina State University. Accessed October 18, 2019. http://www.lib.ncsu.edu/resolver/1840.16/5086.

MLA Handbook (7th Edition):

Jang, Seonhee. “Molecular Dynamics Simulations of Plastic Deformation in Nanocrystalline Metal and Alloy.” 2007. Web. 18 Oct 2019.

Vancouver:

Jang S. Molecular Dynamics Simulations of Plastic Deformation in Nanocrystalline Metal and Alloy. [Internet] [Doctoral dissertation]. North Carolina State University; 2007. [cited 2019 Oct 18]. Available from: http://www.lib.ncsu.edu/resolver/1840.16/5086.

Council of Science Editors:

Jang S. Molecular Dynamics Simulations of Plastic Deformation in Nanocrystalline Metal and Alloy. [Doctoral Dissertation]. North Carolina State University; 2007. Available from: http://www.lib.ncsu.edu/resolver/1840.16/5086


University of Florida

24. Wohlwend, Jennifer. Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes.

Degree: PhD, Materials Science and Engineering, 2009, University of Florida

 SrTiO3 and its component oxides have been deposited on SrTiO3 (100) using molecular dynamics simulations. SrO thin films have been shown to grow in a… (more)

Subjects/Keywords: Adatoms; Anatase; Atoms; Molecular dynamics; Oxygen; Particle beams; Particle interactions; Simulations; Strontium titanates; Thin films; deposition, growth, morphology, simulation, srtio3

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APA (6th Edition):

Wohlwend, J. (2009). Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0024973

Chicago Manual of Style (16th Edition):

Wohlwend, Jennifer. “Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes.” 2009. Doctoral Dissertation, University of Florida. Accessed October 18, 2019. http://ufdc.ufl.edu/UFE0024973.

MLA Handbook (7th Edition):

Wohlwend, Jennifer. “Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes.” 2009. Web. 18 Oct 2019.

Vancouver:

Wohlwend J. Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes. [Internet] [Doctoral dissertation]. University of Florida; 2009. [cited 2019 Oct 18]. Available from: http://ufdc.ufl.edu/UFE0024973.

Council of Science Editors:

Wohlwend J. Computational Study of the Deposition of Metal-Oxide Thin Films on Strontium Titanate Morphology and Growth Modes. [Doctoral Dissertation]. University of Florida; 2009. Available from: http://ufdc.ufl.edu/UFE0024973


Georgia Tech

25. Tschopp, Mark Allen. Atomistic Simulations of Dislocation Nucleation in Single Crystals and Grain Boundaries.

Degree: PhD, Materials Science and Engineering, 2007, Georgia Tech

 The objective of this research is to use atomistic simulations to investigate dislocation nucleation from grain boundaries in face-centered cubic aluminum and copper. This research… (more)

Subjects/Keywords: Molecular dynamics; Dislocations; Grain boundary; Single crystal; Nucleation; Copper; Molecular dynamics Computer simulation; Nucleation; Grain boundaries; Dislocations in crystals

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APA (6th Edition):

Tschopp, M. A. (2007). Atomistic Simulations of Dislocation Nucleation in Single Crystals and Grain Boundaries. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/16239

Chicago Manual of Style (16th Edition):

Tschopp, Mark Allen. “Atomistic Simulations of Dislocation Nucleation in Single Crystals and Grain Boundaries.” 2007. Doctoral Dissertation, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/16239.

MLA Handbook (7th Edition):

Tschopp, Mark Allen. “Atomistic Simulations of Dislocation Nucleation in Single Crystals and Grain Boundaries.” 2007. Web. 18 Oct 2019.

Vancouver:

Tschopp MA. Atomistic Simulations of Dislocation Nucleation in Single Crystals and Grain Boundaries. [Internet] [Doctoral dissertation]. Georgia Tech; 2007. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/16239.

Council of Science Editors:

Tschopp MA. Atomistic Simulations of Dislocation Nucleation in Single Crystals and Grain Boundaries. [Doctoral Dissertation]. Georgia Tech; 2007. Available from: http://hdl.handle.net/1853/16239

26. Xu, Tao. The structure-property relation in nanocrystalline materials: a computational study on nanocrystalline copper by Monte Carlo and molecular dynamics simulations.

Degree: PhD, Materials Science and Engineering, 2009, Georgia Tech

 Nanocrystalline materials have been under extensive study in the past two decades. The reduction in grain size induces many abnormal behaviors in the properties of… (more)

Subjects/Keywords: Nanocrystalline; Monte Carlo; Molecular Dynamics; Strucutre-property; Nanocrystals; Microstructure; Molecular dynamics; Computer simulations; Monte Carlo method

…into the Voronoi structure and then relaxed by molecular dynamics simulations. Atoms in the… …random 2 orientation to each grain and need to be further relaxed by molecular dynamics… …property relation in nanocrystalline materials via Monte Carlo and molecular dynamic simulations… …of nano-crystalline materials using molecular dynamic simulation, especially the plastic… …nanostructured materials. For example, molecular dynamic simulations suggested that grain-boundary… 

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APA (6th Edition):

Xu, T. (2009). The structure-property relation in nanocrystalline materials: a computational study on nanocrystalline copper by Monte Carlo and molecular dynamics simulations. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/37108

Chicago Manual of Style (16th Edition):

Xu, Tao. “The structure-property relation in nanocrystalline materials: a computational study on nanocrystalline copper by Monte Carlo and molecular dynamics simulations.” 2009. Doctoral Dissertation, Georgia Tech. Accessed October 18, 2019. http://hdl.handle.net/1853/37108.

MLA Handbook (7th Edition):

Xu, Tao. “The structure-property relation in nanocrystalline materials: a computational study on nanocrystalline copper by Monte Carlo and molecular dynamics simulations.” 2009. Web. 18 Oct 2019.

Vancouver:

Xu T. The structure-property relation in nanocrystalline materials: a computational study on nanocrystalline copper by Monte Carlo and molecular dynamics simulations. [Internet] [Doctoral dissertation]. Georgia Tech; 2009. [cited 2019 Oct 18]. Available from: http://hdl.handle.net/1853/37108.

Council of Science Editors:

Xu T. The structure-property relation in nanocrystalline materials: a computational study on nanocrystalline copper by Monte Carlo and molecular dynamics simulations. [Doctoral Dissertation]. Georgia Tech; 2009. Available from: http://hdl.handle.net/1853/37108


University of Florida

27. Devine, Bryce. Development and Application of Reactive Potentials for the Atomistic Simulation of Material Surfaces and Interfaces.

Degree: PhD, Materials Science and Engineering, 2010, University of Florida

 DEVELOPMENT AND APPLICATION OF REACTIVE POTENTIALS FOR THE ATOMISTIC SIMULATION OF MATERIAL SURFACES AND INTERFACES By Bryce D. Devine August 2010 Chair: Susan Sinnott Major:… (more)

Subjects/Keywords: Approximation; Atomic interactions; Atoms; Electrons; Energy; Enthalpy; Ground state; Modeling; Oxides; Simulations; aluminum, ceramic, charge, comb, copper, deposition, dynamics, fluorocarbon, interfaces, metal, molecular, oxidation, oxide, potential, rebo, simulations, variable

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APA (6th Edition):

Devine, B. (2010). Development and Application of Reactive Potentials for the Atomistic Simulation of Material Surfaces and Interfaces. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0042144

Chicago Manual of Style (16th Edition):

Devine, Bryce. “Development and Application of Reactive Potentials for the Atomistic Simulation of Material Surfaces and Interfaces.” 2010. Doctoral Dissertation, University of Florida. Accessed October 18, 2019. http://ufdc.ufl.edu/UFE0042144.

MLA Handbook (7th Edition):

Devine, Bryce. “Development and Application of Reactive Potentials for the Atomistic Simulation of Material Surfaces and Interfaces.” 2010. Web. 18 Oct 2019.

Vancouver:

Devine B. Development and Application of Reactive Potentials for the Atomistic Simulation of Material Surfaces and Interfaces. [Internet] [Doctoral dissertation]. University of Florida; 2010. [cited 2019 Oct 18]. Available from: http://ufdc.ufl.edu/UFE0042144.

Council of Science Editors:

Devine B. Development and Application of Reactive Potentials for the Atomistic Simulation of Material Surfaces and Interfaces. [Doctoral Dissertation]. University of Florida; 2010. Available from: http://ufdc.ufl.edu/UFE0042144


University of Florida

28. Martinez, Jackelyn A. Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems.

Degree: PhD, Materials Science and Engineering, 2016, University of Florida

 Titanium nitride, a material system known for its high hardness, wear-resistance, corrosion resistance and extremely high melting temperature, has found widespread use in a variety… (more)

Subjects/Keywords: Atoms; Cost functions; Electrons; Energy; Mathematical independent variables; Molecules; Nitrogen; Oxides; Oxygen; Tin; carbon  – density  – development  – dynamics  – functional  – hydrogen  – molecular  – nitride  – nitrogen  – optimization  – oxide  – oxygen  – potential  – theory  – titanium

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APA (6th Edition):

Martinez, J. A. (2016). Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems. (Doctoral Dissertation). University of Florida. Retrieved from http://ufdc.ufl.edu/UFE0049877

Chicago Manual of Style (16th Edition):

Martinez, Jackelyn A. “Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems.” 2016. Doctoral Dissertation, University of Florida. Accessed October 18, 2019. http://ufdc.ufl.edu/UFE0049877.

MLA Handbook (7th Edition):

Martinez, Jackelyn A. “Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems.” 2016. Web. 18 Oct 2019.

Vancouver:

Martinez JA. Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems. [Internet] [Doctoral dissertation]. University of Florida; 2016. [cited 2019 Oct 18]. Available from: http://ufdc.ufl.edu/UFE0049877.

Council of Science Editors:

Martinez JA. Methodologies and Tools for the Development of Empirical Potentials with Application for Nitrogen-Containing Systems. [Doctoral Dissertation]. University of Florida; 2016. Available from: http://ufdc.ufl.edu/UFE0049877

29. Morrison, Rachel Louise. Understanding the Interaction between Grain Boundaries and Precipitates in Ni-Al Using Molecular Dynamics.

Degree: MSs, Materials Science and Engineering, 2018, Case Western Reserve University

 This thesis investigates the interaction between gamma' precipitates and grain boundaries in a Ni-Al system during deformation. This interaction is investigated using molecular dynamics, and… (more)

Subjects/Keywords: Materials Science; grain boundary sliding; nickel superalloys; molecular dynamics

…expertise relating to molecular dynamics and simulations, along with valuable advice about… …MD - Molecular Dynamics NIST - National Institute of Standards and Technology NPT… …in Ni-Al Using Molecular Dynamics Abstract by RACHEL L. MORRISON 0.1 Abstract This thesis… …deformation. This interaction is investigated using molecular dynamics, and γ0 /boundary… …Introduction The objective of this thesis is to use molecular dynamics (MD) simulations to… 

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APA (6th Edition):

Morrison, R. L. (2018). Understanding the Interaction between Grain Boundaries and Precipitates in Ni-Al Using Molecular Dynamics. (Masters Thesis). Case Western Reserve University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=case1531238038709938

Chicago Manual of Style (16th Edition):

Morrison, Rachel Louise. “Understanding the Interaction between Grain Boundaries and Precipitates in Ni-Al Using Molecular Dynamics.” 2018. Masters Thesis, Case Western Reserve University. Accessed October 18, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=case1531238038709938.

MLA Handbook (7th Edition):

Morrison, Rachel Louise. “Understanding the Interaction between Grain Boundaries and Precipitates in Ni-Al Using Molecular Dynamics.” 2018. Web. 18 Oct 2019.

Vancouver:

Morrison RL. Understanding the Interaction between Grain Boundaries and Precipitates in Ni-Al Using Molecular Dynamics. [Internet] [Masters thesis]. Case Western Reserve University; 2018. [cited 2019 Oct 18]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1531238038709938.

Council of Science Editors:

Morrison RL. Understanding the Interaction between Grain Boundaries and Precipitates in Ni-Al Using Molecular Dynamics. [Masters Thesis]. Case Western Reserve University; 2018. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=case1531238038709938


The Ohio State University

30. Riegner, David C. Molecular Dynamics Simulations of Metallic Glass Formation and Structure.

Degree: PhD, Materials Science and Engineering, 2016, The Ohio State University

 Metallic glasses, a class of metal alloys which lack a periodic crystal structure, exhibit exceptional property combinations not accessible by other classes of materials. In… (more)

Subjects/Keywords: Materials Science; molecular dynamics; metallic glass; simulation; GFA; coordination environment; short-range order; step height; Aluminum; Lanthanum; Copper; Zirconium; Titanium; EAM; potentials; Finnis-Sinclair; RAMPAGE

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APA (6th Edition):

Riegner, D. C. (2016). Molecular Dynamics Simulations of Metallic Glass Formation and Structure. (Doctoral Dissertation). The Ohio State University. Retrieved from http://rave.ohiolink.edu/etdc/view?acc_num=osu1471860872

Chicago Manual of Style (16th Edition):

Riegner, David C. “Molecular Dynamics Simulations of Metallic Glass Formation and Structure.” 2016. Doctoral Dissertation, The Ohio State University. Accessed October 18, 2019. http://rave.ohiolink.edu/etdc/view?acc_num=osu1471860872.

MLA Handbook (7th Edition):

Riegner, David C. “Molecular Dynamics Simulations of Metallic Glass Formation and Structure.” 2016. Web. 18 Oct 2019.

Vancouver:

Riegner DC. Molecular Dynamics Simulations of Metallic Glass Formation and Structure. [Internet] [Doctoral dissertation]. The Ohio State University; 2016. [cited 2019 Oct 18]. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1471860872.

Council of Science Editors:

Riegner DC. Molecular Dynamics Simulations of Metallic Glass Formation and Structure. [Doctoral Dissertation]. The Ohio State University; 2016. Available from: http://rave.ohiolink.edu/etdc/view?acc_num=osu1471860872

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