Prediction of material performance in fusion reactor environments relies on computational
modelling, and will continue to do so until the first generation of fusion power plants come on …

Uniform tensile ductility (UTD) is crucial for the forming/machining capabilities of structural
materials. Normally, planar-slip induced narrow deformation bands localize the plastic …

High-entropy and medium-entropy alloys are presumed to have a configurational entropy as
high as that of an ideally mixed solid solution (SS) of multiple elements in near-equal …

Two approaches in materials physics have proven immensely successful in alloy design:
First, thermodynamic and kinetic descriptions for tailoring and processing alloys to achieve a …

Physical catalysts often have multiple sites where reactions can take place. One prominent
example is single-atom alloys, where the reactive dopant atoms can preferentially locate in …

In order to understand the role of chemical short-range order on deformation mechanisms in
FCC compositionally complex alloys, a random model alloy (Co30-Fe16. 67-Ni36. 67-Ti16 …

Multi–principal element alloys (MPEAs) containing three or more components in high
concentrations render a tunable chemical short-range order (SRO). Leveraging large-scale …

We discuss existing and new computational analysis techniques to classify local atomic
arrangements in large-scale atomistic computer simulations of crystalline solids. This article …

This article discusses computational analysis methods typically used in atomistic modeling
of crystalline materials and highlights recent developments that can provide better insights …

The strengthening effect of chemical short-range order (SRO) structure in CoCrNi medium-
entropy alloy (MEA) was investigated using molecular dynamics (MD) simulations of …