Enhancement and Verification of Quantitative Phase-Field Crystal Modeling using NASA-PSI Coarsening in Solid- Liquid Mixtures Experiments Data

The key objectives of this investigation were to develop 1) a binary Molecular Dynamics (MD) interatomic potential for Pb-Sn system, 2) Phase Field Crystal (PFC) models for coarsening of solid-liquid mixtures; 3) a highly-parallel semi-implicit spectral and operator splitting numerical algorithm to use on high performance computing facilities that will enable the necessary large-scale PFC simulations (comparable to CSLM data length-scale); (4) Data mining of NASA-PSI Coarsening in Solid-Liquid Mixtures (CSLM), CSLM-2, CSLM-2R, and CSLM-3 experiments and using them in series of simulations in the developed computational tool for enhancement and verification of the proposed modeling framework.