LLNL researchers are developing realistic, microstructure-aware, constitutive models that apply to phase transitions of interest, including the solidification of metals and alloys under rapid compressive deformation and phase transformations during shock loading. In such problems, changes in thermodynamic state occur on time-scales comparable to the kinetics of the transformation (nanoseconds to microseconds). By deriving phase-field energy functions directly from molecular dynamics simulations, they can study the microstructure and subsequent material response under the conditions of interest to LLNL. Shown here is phase-field modeling of solidification in a gold–nickel alloy.
Alloy Solidification Simulation