Magnetism driven the short range order formation in Fe-Si and Fe-Al alloys
Oleg I. Gorbatov, Yuri N. Gornostyrev, Andrey R. Kuznetsov, Andrei V. Ruban
PTM 2010, June 6-11, 2010, Avignon, France
Submitted in Solid state phenomenon
Short range order formation in dilute Fe-Si and Fe-Al alloys has been investigated in statistical thermodynamics simulations by Monte Carlo method with effective interactions deduced from first principles calculations for different global magnetic states. We find that the variation of the magnetic order from ferromagnetic to paramagnetic leads to significant changes in effective interactions and corresponding short range order parameters. It is shown that the B2 type of the short range order is formed above the Curie temperature while the D03 type of the short range order is preferred below TC.
Short range order (SRO) parameter in Fe-Si (left) and Fe-Al (right) alloys for different temperatures as below as well above Curie temperature.
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After cooling from 850°C SRO B2 type is dominate |
Relative volume of D03 phase increased after annealing at 450°C. |
