147 citations · 798 across the 19 of their papers we have counts for
3 papers · 1 filter
Comprehensive understanding of H adsorption on MoO3 from systematic ab initio simulations
Yuji Ikeda, Deven Estes, Blazej Grabowski
During many of its applications (especially as a catalyst support material), MoO3 acts as a medium for hydrogen storage via hydrogen spillover (H atom donation from proton and elec…
Atomistic deformation behavior of single and twin crystalline Cu nanopillars with preexisting dislocations
Won-Seok Ko, Alexander Stukowski, Raheleh Hadian +7
Molecular dynamics simulations are performed to investigate the role of a coherent Σ3 (111) twin boundary on the plastic deformation behavior of Cu nanopillars. Our work reveals th…
Dissecting functional degradation in NiTi shape-memory-alloys containing amorphous regions via atomistic simulations
Won-Seok Ko, Won Seok Choi, Guanglong Xu +3
Molecular dynamics simulations are performed to provide a detailed understanding of the functional degradation of shape memory alloys at small scale. The origin of the experimental…