Crystal growth kinetics of barium sulfide (BaS): insights from molecular dynamics and kinetic phase-field modeling
Abstract
The growth of the semiconductor compound barium sulfide (BaS) is being studied using atomistic methods and mesoscopic theoretical modeling. Material properties such as phase densities, enthalpies, specific latent heat, Gibbs free energy difference, liquid diffusion coefficient, interfacial free energies, and stiffness for different crystal faces of the crystal lattice of BaS are obtained by molecular dynamics (MD). The growth kinetics studied by the MD method show close to linear growth velocity dependence in the range of undercoolingΔT
Fields of Study & Subjects
Solidification and crystal growth phenomena
Crystallization and Solubility Studies
Metallurgical Processes and Thermodynamics
Publication details
- Journal / source
- Journal of Physics Condensed Matter
- Volume
- 38
- Issue
- 7
- Pages
- 075401–075401
- Publication date
- 6 February 2026
- Language
- EN