机译:Atomistic simulation and interatomic potential comparison in alpha-Al2O3: lattice, surface and extended-defects properties
Univ Lyon;
SISSA;
simulations; potential; molecular dynamics; alumina; VIRTUAL DIFFRACTION CHARACTERIZATION; MOLECULAR-DYNAMICS SIMULATIONS; CROSS-SLIP MECHANISM; STACKING-FAULTS; BASAL SLIP; AB-INITIO; SAPPHIRE ALPHA-AL2O3; ELASTIC-CONSTANTS; SINGLE-CRYSTALS; CORE STRUCTURE;