A quantitative theory and atomistic simulation study on the soft-sphere crystal–melt interfacial properties. I. Kinetic coefficients

By employing non-equilibrium molecular dynamics (NEMD) simulations and time-dependent Ginzburg–Landau (TDGL) theory for solidification kinetics [Cryst. Growth Des. 20, 7862 (2020)], we predict the kinetic coefficients of FCC(100) crystal–melt interface (CMI) of soft-spheres modeled with an inverse-s...

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Veröffentlicht in:	The Journal of chemical physics 2024-08, Vol.161 (8)
Hauptverfasser:	Wang, Ya-Shen, Zhang, Xin, Liang, Zun, Liang, Hong-Tao, Yang, Yang, Laird, Brian B.
Format:	Artikel
Sprache:	eng
Schlagworte:	Algorithms Crystal growth Crystal lattices Face centered cubic lattice Interfacial properties Kinetic coefficients Lattice vibration Liquid phases Molecular dynamics Parameters Predictions Softness Solidification
Online-Zugang:	Volltext
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