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Meeting Materials Science & Technology 2020
Symposium Ceramics and Glasses Simulations and Machine Learning
Presentation Title The Energy Landscape Governs Brittle-to-Ductile Transitions in Glasses
Author(s) Longwen Tang, Mathieu Bauchy
On-Site Speaker (Planned) Mathieu Bauchy
Abstract Scope Based on their structure, non-crystalline phases can fail in a brittle or ductile fashion. However, the nature of the linkages between structure and propensity for ductility in disordered materials has remained elusive. Here, based on molecular dynamics simulations, we investigate the fracture of a Lennard-Jones system with varying degrees of disorder. We find that that structural disorder results in an increase in ductility. By applying the activation-relaxation technique (an accelerated sampling method to identify transition states), we show that the propensity for ductility is controlled by the topography of the energy landscape.

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

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