Molecular dynamics based kinetic Monte Carlo simulation for accelerated diffusion
Jacob P. Tavenner, Mikhail I. Mendelev, John W. Lawson
Topics & Concepts
Kinetic Monte CarloMolecular dynamicsStatistical physicsDiffusionMonte Carlo methodScale (ratio)Monte Carlo molecular modelingDynamic Monte Carlo methodComputer scienceComputational scienceComputational chemistryChemistryPhysicsThermodynamicsMathematicsMarkov chain Monte CarloStatisticsQuantum mechanicsHigh Temperature Alloys and CreepIntermetallics and Advanced Alloy PropertiesAdvanced Materials Characterization Techniques