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You searched for subject:(Mixed glass former). Showing records 1 – 2 of 2 total matches.

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University of North Texas

1. Deng, Lu. Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications.

Degree: 2017, University of North Texas

Potential parameters that can handle multi-component oxide glass systems especially boron oxide are very limited in literature. One of the main goals of my dissertation is to develop empirical potentials to simulate multi-component oxide glass systems with boron oxide. Two approaches, both by introducing the composition dependent parameter feature, were taken and both led to successful potentials for boron containing glass systems after extensive testing and fitting. Both potential sets can produce reasonable glass structures of the multi-component oxide glass systems, with structure and properties in good agreement with experimental data. Furthermore, we have tested the simulation settings such as system size and cooling rate effects on the results of structures and properties of MD simulated borosilicate glasses. It was found that increase four-coordinated boron with decreasing cooling rate and system size above 1000 atoms is necessary to produce converged structure. Another application of the potentials is to simulate a six-component nuclear waste glass, international simple glass (ISG), which was for first time simulated using the newly developed parameters. Structural features obtained from simulations agree well with the experimental results. In addition, two series of sodium borosilicate and boroaluminosilicate glasses were simulated with the two sets of potentials to compare and evaluate their applicability and deficiency. Various analyses on the structures and properties such as pair distribution function, total correlation function, coordination number analysis, Qn distribution function, ring size distribution function, vibrational density of states and mechanical properties were performed. This work highlights the challenge of MD simulations of boron containing glasses and the capability of the new potential parameters that enable simulations of wide range of mixed former glasses to investigate new structure features and design of new glass compositions for various applications. Advisors/Committee Members: Du, Jincheng, Brostow, Witold, 1934-, Reidy, Richard F., Scharf, Thomas W., Xia, Zhenhai.

Subjects/Keywords: Molecular dynamics simulations;

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

APA (6th Edition):

Deng, L. (2017). Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications. (Thesis). University of North Texas. Retrieved from https://digital.library.unt.edu/ark:/67531/metadc1062909/

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):

Deng, Lu. “Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications.” 2017. Thesis, University of North Texas. Accessed September 21, 2020. https://digital.library.unt.edu/ark:/67531/metadc1062909/.

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

MLA Handbook (7th Edition):

Deng, Lu. “Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications.” 2017. Web. 21 Sep 2020.

Vancouver:

Deng L. Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications. [Internet] [Thesis]. University of North Texas; 2017. [cited 2020 Sep 21]. Available from: https://digital.library.unt.edu/ark:/67531/metadc1062909/.

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

Council of Science Editors:

Deng L. Molecular Dynamics Simulations of the Structure and Properties of Boron Containing Oxide Glasses: Empirical Potential Development and Applications. [Thesis]. University of North Texas; 2017. Available from: https://digital.library.unt.edu/ark:/67531/metadc1062909/

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

2. THIEU DUC THO. Ion Conduction Mechanisms In Fast Ion Conducting Oxide Glasses For Rechargeable Batteries.

Degree: 2010, National University of Singapore

Subjects/Keywords: Molecular dynamics simulation; Lithium ion conduction; Bond valence approach; Ion transport in glasses; Mixed glass former; Glass structure.

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

APA (6th Edition):

THO, T. D. (2010). Ion Conduction Mechanisms In Fast Ion Conducting Oxide Glasses For Rechargeable Batteries. (Thesis). National University of Singapore. Retrieved from http://scholarbank.nus.edu.sg/handle/10635/25836

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):

THO, THIEU DUC. “Ion Conduction Mechanisms In Fast Ion Conducting Oxide Glasses For Rechargeable Batteries.” 2010. Thesis, National University of Singapore. Accessed September 21, 2020. http://scholarbank.nus.edu.sg/handle/10635/25836.

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

MLA Handbook (7th Edition):

THO, THIEU DUC. “Ion Conduction Mechanisms In Fast Ion Conducting Oxide Glasses For Rechargeable Batteries.” 2010. Web. 21 Sep 2020.

Vancouver:

THO TD. Ion Conduction Mechanisms In Fast Ion Conducting Oxide Glasses For Rechargeable Batteries. [Internet] [Thesis]. National University of Singapore; 2010. [cited 2020 Sep 21]. Available from: http://scholarbank.nus.edu.sg/handle/10635/25836.

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

Council of Science Editors:

THO TD. Ion Conduction Mechanisms In Fast Ion Conducting Oxide Glasses For Rechargeable Batteries. [Thesis]. National University of Singapore; 2010. Available from: http://scholarbank.nus.edu.sg/handle/10635/25836

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

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