This review addresses the method of explicit calculations of interatomic exchange
interactions of magnetic materials. This involves exchange mechanisms normally referred to …

Phase equilibria and thermodynamic properties in the Fe-Cr system have been reviewed
comprehensively based on experimental information and available computer simulations in …

While hydrogen pipelines have attracted increased attention, safety of the pipelines has
been a concern in terms of hydrogen embrittlement (HE) occurring upon hydrogen atom (H) …

A thermodynamic modeling of the Fe–Cr system down to 0 K is performed on the basis of
our recent comprehensive review of this binary system [W. Xiong, M. Selleby, Q. Chen, J …

We use first-principles calculations to study the effect of magnetic disorder and electron
correlations on the structural and thermodynamic properties of CrN. We illustrate the …

Radiation-enhanced precipitation of Cr-rich α′ in irradiated Fe-Cr alloys, which results in
hardening and embrittlement, depends on the irradiating particle and the displacement per …

We review recent developments in the field of first-principles simulations of magnetic
materials above the magnetic order–disorder transition temperature, focusing mainly on 3d …

The elastic properties of ferromagnetic Fe 1− x M x (M= Al, Si, V, Cr, Mn, Co, Ni, and Rh; 0≤
x≤ 0.1) random alloys in the body-centered-cubic (bcc) crystallographic phase have been …

Abstract The PBF-LB/M process is highly suitable for the additive manufacturing of complex
parts with precise geometrical accuracy using metallic powders. However, certain unknown …

This work is motivated by the need for large-scale simulations to extract physical information
on the iron-chromium system that is a binary model alloy for ferritic steels used or proposed …