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. 2022 Sep 19;15(18):6503. doi: 10.3390/ma15186503
GB grain boundary
STGBs symmetrical tilt grain boundaries
HDN heterogeneous dislocation nucleation
HE hydrogen embrittlement
IHE internal hydrogen embrittlement
EHE environmental hydrogen embrittlement
HEDE hydrogen-enhanced decohesion
HELP hydrogen enhanced localized plasticity
MD molecular dynamics
EAM embedded-atom method
LAMMPS large-scale atomic/molecular massively parallel simulator
NPT isothermal–isobaric ensemble
CNA common neighbor analysis
CSP centro-symmetry parameter
DXA dislocation extraction algorithm
OVITO open visualization tool