Liquid-liquid phase transition: is it possible in Fe melts?
South-Ural State University, Physical Department, 454080 Chelyabinsk, Russia
In present work we present the results of ab initio molecular dynamics simulation of magnetic properties of liquid iron. This simulation has been performed using the computer package SIESTA for temperature range: 1833, 1873, 1923, 2023 K. Our focus is on possibility of magnetic liquid-liquid phase transition in iron melts.
© Owned by the authors, published by EDP Sciences, 2011