Predictive modeling of Time-Temperature-Transformation diagram of metallic glasses based on atomistically-informed classical nucleation theory.

ABSTRACT: Theoretical prediction of glass forming ability (GFA) of metallic alloys is a key process in exploring metallic alloy compositions with excellent GFA and thus with the ability to form a large-sized bulk metallic glass. Molecular dynamics (MD) simulation is a promising tool to achieve a theoretical prediction. However, direct MD prediction continues to be challenging due to the time-scale limitation of MD. With respect to practical bulk metallic glass alloys, the time necessary for quenching at a typical cooling rate is five or more orders of magnitude higher than that at the MD time-scale. To overcome the time-scale issue, this study proposes a combined method of classical nucleation theory and MD simulations. The method actually allows to depict the time-temperature-transformation (TTT) d

SUBMITTER: Sato Y 

PROVIDER: S-EPMC5543070 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature