Modeling of Crystal Growth Processes

摘要: Publisher Summary This chapter provides an overview of the current practice modeling melt and solution crystal growth processes. The continuum transport equations describing these systems are reviewed, numerical strategies outlined, special challenges posed by discussed. At a microscopic scale tens nanometers or less, ab initio molecular dynamics (MD) methods employed to study atomic behavior crystallization. Molecular based on classical potentials able compute for much larger ensembles longer time scales. To simulate even length scales scales, kinetic Monte Carlo (KMC) method can be applied many systems. On macroscopic microns larger, describe physical phenomena. There various phenomena associated with that occur “meso-scale”, comprising hundreds nanometer occurring over long In case bulk growth, directly connects processing conditions outcomes. Since crystals usually incorporated into electronic, optical, optoelectronic devices, outcome is measured in terms properties relevant devices.