To understand the underlying mechanisms that control the mechanical properties of
nanostructured metals, an insight into the role of the grain boundary in dislocation-driven …

Grain boundaries (GBs) have a significant influence on the mechanical properties of metallic
materials. It has been a great challenge to describe dislocation interactions with various …

To fully understand the plastic deformation of metallic polycrystalline materials, the physical
mechanisms by which a dislocation interacts with a grain boundary must be identified …

Over the past decade, numerous efforts have sought to understand the influence of twin
boundaries on the behavior of polycrystalline materials. Early results suggested that twin …

The objective of this review article is to provide a concise discussion of atomistic modeling
efforts aimed at understanding the nanoscale behavior and the role of grain boundaries in …

A combination of experimental and molecular dynamics (MD) simulations is used to
investigate the interaction of dislocations with a selected grain boundary (GB) in bicrystalline …

Twin boundaries (TBs) constitute a special type of symmetric grain boundary (GB). TBs
influence plastic deformation in a complex manner. They not only act as dislocation …

Three newly identified cross-slip mechanisms from atomistic simulations of fcc crystals,
namely surface, bulk and intersection cross-slip types, were hierarchically informed into …

Coupled grain boundary motion was simulated in a three-dimensional nanocrystalline Al
grain boundary network using molecular dynamics. It is shown that, in spite of the triple …

Using molecular dynamics (MD) simulations, we studied the dislocation pileup–grain
boundary (GB) interactions. Two Σ11 asymmetrical tilt grain boundaries in Al are studied to …