65 citations · 236 across the 8 of their papers we have counts for
10 papers · 1 filter
Dissolution and Recrystallization Behavior of Li3PS4 in Different Organic Solvents
Kerstin Wissel, Luise M. Riegger, Christian Schneider +9
Solid state batteries can be built based on thiophosphate electrolytes such as beta-Li3PS4. For the preparation of these electrolytes, various solvent-based routes have been report…
Atomistic simulations of the deformation behavior of an Nb nanowire embedded in a NiTi shape memory alloy
Jung Soo Lee, Won-Seok Ko, Blazej Grabowski
The influence of pre-strain and temperature on the superior properties exhibited by an Nb nanowire embedded in a NiTi shape memory alloy (SMA) are investigated via molecular dynami…
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…
A fast anharmonic free energy method with an application to vacancies in ZrC
Thomas A. Mellan, Andrew I. Duff, Blazej Grabowski +1
We propose an approach to calculate the anharmonic part of the volumetric-strain and temperature dependent free energy of a crystal. The method strikes an effective balance between…
Basal Slip in Laves Phases: the Synchroshear Dislocation
Julien Guénolé, Fatim-Zahra Mouhib, Liam Huber +2
Two different mechanisms have been reported in previous ab initio studies to describe basal slip in complex intermetallic Laves phases: synchroshear and undulating slip. To date, n…