| 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 |