About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Bulk Metallic Glasses XX
|
Presentation Title |
The Physics of Elemental Ag and Binary Cu-Ag Glasses: First Order Glass Transition |
Author(s) |
Qi An, William L. Johnson, Konrad Samwer, Sydney L. Corona, William A. Goddard |
On-Site Speaker (Planned) |
Qi An |
Abstract Scope |
The glass transition is ubiquitous, while the nature of the glass state has been long been debated. Here, we examined elemental Ag and binary Cu-Ag liquids using molecular dynamics (MD) simulations from which the metastable glass state can be achieved in the simulation time scale of nanoseconds. Our MD simulations proof that the glass transition in these metallic liquids is a 1st order freezing transition from a high temperature liquid-like disordered phase (L-phase) to a heterogeneous, elastically rigid, low temperature solid-like phase (G-phase). The robust metastability of glass phase in the MD simulations enables us to apply thermodynamic principles to construct a glass-crystal-liquid phase diagram over a broad range of temperature. The L-phase and G-phase are further distinguished by the vibrational density of state, and mechanical response under shear deformation. The first order L-G transition is fundamentally linked to the emergence of long-range elasticity and elastic interactions in the glass. |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Phase Transformations, Solidification |