Atomistic and continuum modeling of dendritic solidification

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Phase-field modeling of microstructure evolution: Recent applications, perspectives and challenges (2021, methodology): “Looking at kinetic effects, the dependence of dendrite growth velocity with undercooling was predicted by a quantitative model [250] using MD-calculated parameters for interface energy [251, 252] and kinetic coefficient [253] and exhibited a remarkable agreement with experimental data measured in hi”
A smoothed particle hydrodynamics model for reactive transport and mineral precipitation in porous and fractured porous media (2007, methodology): “Promising multiscale techniques based on molecular dynamic simulations for inferring the parameters controlling crystal growth at the crystal-melt interfaces have been proposed [Hoyt et al., 2003].”
An introduction to phase-field modeling of microstructure evolution (2008, background): “Hoyt, Asta and Karma [169,170] determined from atomistic molecular dynamics simulations, the interfacial energy and mobility and their anisotropies for pure Ni, Au and Ag.”