A. V. Ursaeva, G. E. Ruzanova, A. A. Mirzoev, “Selection of optimal parameters for formation the most accurate model of BCC iron”, Vestn. Yuzhno-Ural. Gos. Un-ta. Ser. Matem. Mekh. Fiz., 2010, Issue 2,Pages <nobr>97

This article is cited in 6 papers

Physics

Selection of optimal parameters for formation the most accurate model of BCC iron

A. V. Ursaeva, G. E. Ruzanova, A. A. Mirzoev

South Ural State University

Abstract: First-principles modeling of the equilibrium structure and properties of BCC iron are carried out by WIEN2k code. Optimal parameters that allow forming the most accurate model are obtained.

Keywords: first-principles modeling, BCC iron.

UDC: 538.915

Received: 03.02.2010