Universal correlation between the thermodynamic potentials and some physical quantities of metallic glasses as a function of cooling rate during molecular dynamics simulation

Ghaemi, M ; Sharif University of Technology | 2020

304 Viewed
  1. Type of Document: Article
  2. DOI: 10.1016/j.jnoncrysol.2020.119999
  3. Publisher: Elsevier B.V , 2020
  4. Abstract:
  5. The existence of universal semi-log linear relation between potential energy and cooling rate during the molecular dynamics simulations of metallic glasses for Cu-Zr system was formerly reported. For this purpose, different classes of metallic glasses are considered and the validity of this correlation is studied. It is shown that it holds for other thermodynamics potentials and some physical quantities like density and Wendt and Abraham parameter, too. This observation enables us to economically construct atomic scale metallic glass structures equivalent to very low cooling rates, more consistent to experimental works, not accessible using classic molecular simulations. © 2020 Elsevier B.V
  6. Keywords:
  7. Cooling rate ; Metallic glass ; Binary alloys ; Cooling ; Copper alloys ; Glass ; Metals ; Molecular dynamics ; Potential energy ; Statistical mechanics ; Zircaloy ; Cooling rates ; Different class ; Glass structure ; Linear relation ; Molecular dynamics simulations ; Molecular simulations ; Physical quantities ; Thermodynamic potentials
  8. Source: Journal of Non-Crystalline Solids ; Volume 536 , 2020
  9. URL: https://www.sciencedirect.com/science/article/abs/pii/S0022309320301162