1.7k citations · 3.9k across the 18 of their papers we have counts for
18 papers
The AFLOW Fleet for Materials Discovery
Cormac Toher, Corey Oses, David Hicks +48
The traditional paradigm for materials discovery has been recently expanded to incorporate substantial data driven research. With the intent to accelerate the development and the d…
Grain boundary phases in bcc metals
T. Frolov, W. Setyawan, R. J. Kurtz +4
We report a computational discovery of novel grain boundary structures and multiple grain boundary phases in elemental bcc tungsten. While grain boundary structures created by the…
Object Kinetic Monte Carlo Simulations of Radiation Damage in Bulk Tungsten Part-II: With a PKA Spectrum Corresponding to 14-MeV Neutrons
Giridhar Nandipati, Wahyu Setyawan, Howard L. Heinisch +3
Object kinetic Monte Carlo was employed to study the effect of dose rate on the evolution of vacancy microstructure in polycrystalline tungsten under neutron bombardment. The evolu…
Cascade morphology transition in bcc metals
Wahyu Setyawan, Aaron P. Selby, Niklas Juslin +3
Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order…
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…
Displacement cascades and defects annealing in tungsten, Part II: Object kinetic Monte Carlo Simulation of Tungsten Cascade Aging
Giridhar Nandipati, Wahyu Setyawan, Howard L. Heinisch +3
We describe the results of object kinetic Monte Carlo (OKMC) simulations of the annealing of primary cascade damage in bulk tungsten using a comprehensive database of cascades obta…