Determining the phase-field mobility of pure nickel based on molecular dynamics data

Аннотация

The temperature dependence of the interface mobility in the directed solidification of pure nickel has been obtained in a locally nonequilibrium phase-field model using optimization based on the results of modeling a plane interface by the method of molecular dynamics. Thermodynamic calculations of motive forces and solidification heat-release process are based on the real Gibbs potentials for nickel.