The first order L-G phase transition in liquid Ag and Ag-Cu alloys is driven by deviatoric strain

An undercooled liquid-phase (L-phase) can undergo a first order configurational phase transition to either crystal (X-phase) or metastable, configurationally heterogeneous, rigid glassy (G-phase). To investigate the underlying mechanism of L-G transition, we employ molecular dynamics simulations study G-phase formation in binary Cu-Ag system. We find that is driven by reduction local distortion energy arising from deviatoric strains liquid and demonstrate its distribution. Reduction contributes over 80% latent heat suggesting condensation spatially varying random elastic fields primarily responsible for transition. By applying this analysis crystallization elementary Ag, show strain dominant driving force L-X also case pure metal.