152 citations · 228 across the 3 of their papers we have counts for
3 papers
Data-driven Material Models for Atomistic Simulation
Mitchell A. Wood, Mary Alice Cusentino, Brian D. Wirth +1
The central approximation made in classical molecular dynamics simulation of materials is the interatomic potential used to calculate the forces on the atoms. Great effort and inge…
The role of stoichiometric vacancy periodicity in pressure-induced amorphization of the Ga2SeTe2 semiconductor alloy
Najeb Abdul-Jabbar, Bora Kalkan, Alastair MacDowell +3
We observe that pressure-induced amorphization of Ga2SeTe2 (a III-VI semiconductor) is directly influenced by the periodicity of its intrinsic defect structures. Specimens with per…
Displacement cascades and defects annealing in tungsten, Part I: defect database from molecular dynamics simulations
Wahyu Setyawan, Giridhar Nandipati, Kenneth J. Roche +3
Molecular dynamics simulations have been used to generate a comprehensive database of surviving defects due to displacement cascades in bulk tungsten. Twenty one data points of pri…