66 citations · 146 across the 6 of their papers we have counts for
4 papers · 1 filter
Anomalous ideal tensile strength of ferromagnetic Fe and Fe-rich alloys
Xiaoqing Li, Stephan Schönecker, Jijun Zhao +2
Within the same failure mode, iron has the lowest ideal tensile strength among the transition metals crystallizing in the body-centered cubic structure. Here, we demonstrate that t…
Magnetic origin of chemical balance in alloyed Fe-Cr stainless steels: first-principles and Ising model study
E. Airiskallio, E. Nurmi, I. J. Väyrynen +5
Iron-chromium forms the basis of most of the stainless steel grades in the markets. Recently new insights into the physical and chemical properties of Fe-Cr based alloys have been…
Self-consistent supercell approach to alloys with local environment effects
Oleg E. Peil, Andrei V. Ruban, Börje Johansson
We present an efficient and accurate method for calculating electronic structure and related properties of random alloys with a proper treatment of local environment effects. The m…
Ab initio study of atomic ordering and spin-glass transition in dilute CuMn alloys
O. E. Peil, A. V. Ruban, B. Johansson
An archetypical spin-glass metallic alloy, Cu0.83Mn0.17, is studied by means of an ab-initio based approach. First-principles calculations are employed to obtain effective chemical…