Effect of magnetism on short-range order formation in Fe-Si and Fe-Al alloys

• Short-range order formation in dilute Fe-Si and Fe-Al alloys has been investigated by statistical Monte Carlo simulations with effective interactions deduced from first principles calculations for different magnetic structures of bcc Fe. We find that the variation of the magnetic order from ferromagnetic to paramagnetic leads to significant changes in effective cluster interactions and, as follow, in short-range order parameters of alloys. It is shown in agreement with experiment the B2 type short-range order is formed above the Curie temperature, TC, while the D03 type short-range order is preferred below TC.

Ämnesord

TEKNIK OCH TEKNOLOGIER  -- Materialteknik (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Materials Engineering (hsv//eng)

Nyckelord

Induced magnetic anisotropy

Magnetism

Phase diagram

Short-range order

Effective cluster interactions

Effective interactions

Fe-Al alloys

First-principles calculation

Magnetic orders

Monte Carlo Simulation

Short range orders

Short-range order parameters

Alloys

Cerium alloys

Computer simulation

Crystal structure

Magnetic anisotropy

Monte Carlo methods

Paramagnetism

Phase diagrams

Phase transitions

Iron alloys

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