Grain boundaries (GBs) profoundly influence the properties and performance of materials,
emphasizing the importance of understanding the GB structure and phase behavior. As …

Material strengthening and embrittlement are controlled by intrinsic interactions between
defects, such as grain boundaries (GBs), and impurity atoms that alter the observed …

This paper addresses the role of grain boundary slip transfer and thermally-activated
discrete dislocation plasticity in the redistribution of grain boundary stresses during cold …

Using atomistic simulations, we investigated the effects of Zn on Mg alloys to reveal the
mechanism underlying the good ductility and strong basal texture of Mg-Zn solid solutions at …

Magnesium, the lightest structural metal, has limited industrial application due to its poor
formability at room temperature. However, the mechanism for the effect of alloying elements …

Magnesium (Mg) and its alloys offer great potential for reducing vehicular mass and energy
consumption due to their inherently low densities. Historically, widespread applicability has …

This article investigated the impact of intergranular hydride precipitation on the mechanical
behavior of zirconium (Zr) bi-crystals using molecular dynamics (MD)-based simulations …

The harsh irradiation environment poses serious threat to the structural integrity of leading
candidate for plasma-facing materials, tungsten (W), in future nuclear fusion reactors. It is …

Understanding radiation performance of nanocrystalline Zr-based alloys is essential to
develop internal components and external cladding materials with self-healing capabilities …

In this study, we present atomistic mechanisms of 1/2 [111](1 1 0) edge dislocation
interactions with point defects (hydrogen and vacancies) and hydrogen solute atmospheres …