High-entropy alloys constitute a new class of materials that provide an excellent combination
of strength, ductility, thermal stability, and oxidation resistance. Although they have …

A grand challenge in materials research is to understand complex electronic correlation and
non-equilibrium atomic interactions, and how such intrinsic properties and dynamic …

Although there are only a few known examples of supported single-atom catalysts, they are
unique because they bridge the gap between homogeneous and heterogeneous catalysis. …

High-entropy alloys constitute a new class of materials whose very existence poses fundamental
questions regarding the physical principles underlying their unusual phase stability. …

We report the stacking fault energy (SFE) for a series of face-centered cubic (fcc) equiatomic
concentrated solid solution alloys (CSAs) derived as subsystems from the NiCoFeCrMn and …

A new approach to the calculation of the electronic structure of large systems within the local
density approximation is outlined. The electronic structure problem is formulated using real …

It has been shown that concentrated solid solution alloys possess unusual electronic,
magnetic, transport, mechanical and radiation-resistant properties that are directly related to …

The role of d electrons in determining distributions of formation and migration energies for
point defects in equiatomic NiCoCr and NiCoFeCr concentrated solid solution alloys (CSAs) …

Historically, alloy development with better radiation performance has been focused on
traditional alloys with one or two principal element(s) and minor alloying elements, where …

We report the results of molecular dynamics simulations of melting and premelting of single-walled
carbon nanotubes (SWNTs). We found that the traditional critical Lindemann …