<i>CrystalGrower</i>: a generic computer program for Monte Carlo modelling of crystal growth
Adam Hill, Pablo Cubillas, James Gebbie-Rayet, Mollie Trueman, Nathan de Bruyn, Zulaikha al Harthi, Rachel J. S. Pooley, Martin P. Attfield, Vladislav A. Blatov, Davide Μ. Proserpio, Julian D. Gale, Duncan Akporiaye, Bjørnar Arstad, Michael W. Anderson
Abstract
permits the incorporation of screw dislocations with arbitrary Burgers vectors and also the investigation of internal point defects in crystals. The effect of growth modifiers can be addressed by selective poisoning of specific growth sites. The tool is designed for those interested in understanding and controlling the outcome of crystal growth through a deeper comprehension of the key controlling experimental parameters.
Topics & Concepts
Monte Carlo methodNanoscopic scaleIn silicoStatistical physicsCrystal habitCrystal (programming language)CrystallizationCrystal growthTopology (electrical circuits)Computer scienceMaterials sciencePhysicsCrystallographyChemistryNanotechnologyMathematicsThermodynamicsCombinatoricsStatisticsProgramming languageBiochemistryGeneCrystallization and Solubility Studiesnanoparticles nucleation surface interactionsCalcium Carbonate Crystallization and Inhibition