An abundance of defects would be inevitably generated during manufacturing and service in
high-entropy alloys (HEAs). However, the mechanical properties of the damaged HEAs with …

In this paper, an atomistic–continuum homogenization multiscale method is developed to
study the nonlinear behavior of heterogeneous nanomaterials. The atomistic representative …

Crystallographic orientation and grain size for monocrystalline and polycrystalline materials
respectively play a critical role in defining their mechanical behaviour under …

The mechanical behaviors around a crack tip for a system including both a crack and two tilt
grain boundaries under cyclic loading are examined using a molecular dynamics simulation …

This study focuses on investigating the dependency of fatigue nanomechanisms to the cyclic
loading mode and notch shape in single-crystal aluminum nanoplates by molecular …

A molecular dynamics analysis scheme is proposed to study nanoimprint processes by
considering the following effects: temperature, punch velocity, spring back, etc. The …

The interaction of nano-scale cracks with grain boundaries in α-Fe were studied using
symmetric tilt grain boundaries with [1 1 2¯] and [1¯ 1 0] tilt axis. For each tilt axis four types …

In this study, the molecular dynamics (MD) simulation technique is employed to investigate
the influence of nanowire diameter on the elastic properties of pure Cu and Pd as well as Cu …

The roles of interfaces and matrix grain size in the deformation and failure of polycrystalline
Cu–graphene nanolayered (PCuGNL) composites under shear loading are explored with …

Atomistic simulations and experimental nanoindentation tests were used to examine the
effect of vacancies on the inception of plastic deformation in Ni. Molecular dynamics have …