Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework
Brendon Waters, Daniel S. Karls, Ilia Nikiforov, Ryan S. Elliott, Ellad B. Tadmor, Brandon Runnels
Topics & Concepts
Grain boundaryInteratomic potentialLattice (music)Multiplicative functionStatistical physicsLattice energyEnergy (signal processing)Measure (data warehouse)PhysicsMaterials scienceCondensed matter physicsComputer scienceChemistryMolecular dynamicsCrystallographyMathematicsCrystal structureData miningMathematical analysisQuantum mechanicsAcousticsMicrostructureMicrostructure and mechanical propertiesSemiconductor materials and interfacesSurface and Thin Film Phenomena