ProgramMaster Logo
Conference Tools for Materials Science & Technology 2020
Login
Register as a New User
Help
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting Materials Science & Technology 2020
Symposium Ceramics and Glasses Simulations and Machine Learning
Presentation Title Beyond the Average: Fluctuations in Glass-forming Systems
Author(s) Katelyn A. Kirchner, John C. Mauro
On-Site Speaker (Planned) Katelyn A. Kirchner
Abstract Scope The macroscopic properties of any material system are dictated by atomic structure. Within disordered structures, such as glass, long-range atomic arrangement is impossible to precisely predict; however, statistical mechanical modeling can be used to quantify the presence of topological fluctuations within these disordered structures to predict the performance of glass-forming systems. This work presents a general modeling approach to describe structural and topological fluctuations by linking statistical mechanics and topological constraint theory. The model is then used to explore how fluctuations within glass-forming systems impact the distribution of glass structural units, the ability of atoms to self-organize in adaptable network topologies, the thermodynamic properties of the system, heat capacity, and a glass-forming system’s ability to nucleate crystals.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Ab-initio and Reactive MD Simulations of Polymer Pyrolysis and Formation of Silicon-based Ceramics
Application of Natural Language Processing to Zeolites and Cementitious Materials
Beyond the Average: Fluctuations in Glass-forming Systems
Data, Materials and Disorder
De Novo Discovery of Nanoporous Structures with Tailored Sorption Isotherm by Machine Learning
Defect Formation and Self-diffusion in Alumina: Computational Approaches
Introductory Comments: Ceramics and Glasses Simulations and Machine Learning
JAX, M.D.: End-to-End Differentiable, Hardware Accelerated, Molecular Dynamics in Pure Python
The Energy Landscape Governs Brittle-to-Ductile Transitions in Glasses
The Role of Pore Pattern on The Ductility Enhancement of Crystalline Silicon Nitride Nanoporous Membranes
Theoretical Calculation of Formation Energies and Site Preference of Substitutional Divalent Cations in Carbonated Apatite
Verification of Mn Local Structure in Manganese Lithium Borate-based Glass by Computer Simulations and X-ray Absorption Spectroscopy

Questions about ProgramMaster? Contact programming@programmaster.org