The point defect properties of body-centered cubic medium-entropy alloy NbZrTi were
studied by first-principles calculations. Due to severe lattice distortion, a significant portion of …

In-situ TEM observation and molecular dynamics simulation were used to investigate the
evolution of irradiation-induced dislocation loops and their interactions with the pre-existing …

Vibration-assisted grinding improves machining quality and efficiency over conventional
grinding, whereas its atomistic mechanism remains unclear. In this study, we investigated …

The chemical short-range order (CSRO) in a face-centered cubic equiatomic NiCoFeCrMn
high-entropy alloy was revealed directly from advanced transmission electron microscopy in …

Simulating collision cascades and radiation damage poses a long-standing challenge for
existing interatomic potentials, both in terms of accuracy and efficiency. Machine-learning …

The development of classical interatomic potential for iron is a quite demanding task with a
long history background. A new interatomic potential for simulation of iron was created with …

High-entropy alloys (HEAs) are a new type of multi-principal metal materials that exhibit
excellent mechanical properties, good thermal stability, and high corrosion resistance, with …

This review discusses atomistic modeling techniques used to simulate radiation damage in
crystalline materials. Radiation damage due to energetic particles results in the formation of …

The response of single crystals to increasing shock strength involves complex phase
transition processes from solid-solid to solid-liquid phases. However, it is not yet fully …

Coupling of multiple abrasive grains is crucial for the efficiency in the grinding process and
grinder design. Here the coupling effect in a double-grain model in vibration-assisted …