The “void lattice” formed by periodic arrangements of voids, usually replicating the symmetry
and crystallographic orientation of the host matrix, is an interesting phenomenon in materials …

The mechanical behavior of tungsten under tensile deformation was investigated using
molecular dynamics simulations, with a focus on the effects of temperature, pressure, crystal …

We have systematically investigated the influence of carbon (C) impurity on the aggregation,
migration, and annihilation of neutron irradiation defects as well as the mechanical …

We investigated the influence of hydrogen (H) on the stability and mobility of small vacancy
clusters in tungsten (W) using the first-principles calculations. It is found that the presence of …

The hydrogen binding energy to vacancies or vacancy-carbon complexes in α-Fe under
uniaxial tensile strain was calculated using the density functional theory. The solution …

Utilizing first-principle calculations, this study elucidated the underlying mechanism of elastic
strains affecting the Li-ion diffusivity and conductivity in Li 3 OCl anti-perovskite solid-state …

A large number of vacancies can form in tungsten (W) when subjected to high-energy
plasma particle fluxes and greatly influence the mechanical properties. Based on …

Using the first-principles calculations and object kinetic Monte Carlo (OKMC) methods, we
systematically investigate the influence of tantalum (Ta) on the behaviors of rhenium (Re) in …

Owning to the factors of external mechanical loads and high heat flux deposition, various
degrees of strain or stress are inevitably introduced into the structural materials of nuclear …

Helium (He) is a typical impurity element and plays a crucial role in the microstructural
evolution in nuclear materials under irradiation. Here, we systematically investigate the …