The evolution of lattice dislocations in metals can be induced by electric current. However,
the effect of electric current on the interaction between lattice dislocations and grain …

This review explores molecular dynamics simulations for studying radiation damage in
Tritium Producing Burnable Absorber Rod (TPBAR) materials, emphasizing the role of …

We present a new classical interatomic potential designed for simulation of the W-Mo-Nb
system. The angular-dependent format of the potential allows for reproduction of many …

Complexion transitions (CTs) of grain boundaries (GBs) have been a subject of extensive
discussions in the last years, but many aspects of this phenomenon are still unclear. Here …

We present classical atomistic study of hydrogen diffusion in α-Fe and γ-Fe in presence of
grain boundaries, surfaces or vacancies. Being pronounced traps for hydrogen, defects of …

Hydrogen is a clean fuel with numerous sources, yet the hydrogen industry is plagued by
hydrogen embrittlement (HE) issues during the storage, transportation, and usage of …

W-Ni-Fe tungsten heavy alloys (WHAs) are a kind of ductile phase toughened composites
that are becoming increasingly interesting as promising alternatives to monolithic tungsten …

Hydrogen embrittlement is a common failure phenomenon observed in metallic materials,
leading to cracking or fracturing when subjected to stress or load. The study of hydrogen …

Strain and defects significantly affect the diffusion and trap** of hydrogen (H), which plays
a critical role in the initiation of hydrogen embrittlement phenomena in α-iron. In this work …

Pair-functional potentials are generally used for metallic solids, whereas cluster potentials
are more appropriate for covalent solids; however, both face critical difficulties that cannot be …