Grain boundaries can undergo phase-like transitions, called complexion transitions, in
which their structure, composition, and properties change discontinuously as temperature …

This paper reviews findings on the anisotropy of the grain boundary energies. After
introducing the basic concepts, there is a discussion of fundamental models used to …

The synergy of multiple deformation mechanisms responsible for the excellent mechanical
properties attracts an increasing interest in CoCrNi medium entropy alloy (MEA). In this …

For decades, high susceptibility to intergranular corrosion and stress corrosion cracking is
the Achilles's heel for the 5xxx series Al alloys with high Mg (> 3 wt%) owing to precipitation …

We present a computational method for identifying partial and interfacial dislocations in
atomistic models of crystals with defects. Our automated algorithm is based on a discrete …

Additive manufacturing (AM) is of tremendous interest given its ability to realize complex,
non-traditional geometries in engineered structural materials. However, microstructures …

Grain boundary velocity has been believed to be correlated to curvature, and this is an
important relationship for modeling how polycrystalline materials coarsen during annealing …

The structure and energy of grain boundaries (GBs) are essential for predicting the
properties of polycrystalline materials. In this work, we use high-throughput density …

In crystalline materials, plastic deformation occurs by the motion of dislocations, and the
regions between individual crystallites, called grain boundaries, act as obstacles to …

Grain boundaries control a wide variety of bulk properties in polycrystalline materials, so
simulation methods like density functional theory are routinely used to study their structure …