74 citations · 227 across the 23 of their papers we have counts for
3 papers · 1 filter
Synergistic coupling in ab initio-machine learning simulations of dislocations
Petr Grigorev, Alexandra M. Goryaeva, Mihai-Cosmin Marinica +2
Ab initio simulations of dislocations are essential to build quantitative models of material strength, but the required system sizes are often at or beyond the limit of existing me…
Reaction-drift-diffusion models from master equations: application to material defects
Thomas D Swinburne, Danny Perez
We present a general method to produce well-conditioned continuum reaction-drift-diffusion equations directly from master equations on a discrete, periodic state space. We assume t…
Interstitialcy-based reordering kinetics of NiAl precipitates in irradiated Ni-based super alloys
Keyvan Ferasat, Thomas D. Swinburne, Peyman Saidi +3
Neutron irradiation tends to promote disorder in ordered alloys through the action of the thermal spikes that it generates, while simultaneously introducing point defects and defec…