Interplay of Magnetic and Structural Properties of F.C.C.-Ni–Fe Alloys: Study of Statistical Thermodynamics and Kinetics by Means of Methods of Computer Simulation

Abstract

In a given review, focus is on those certain results of experimental and theoretical investigations of substitutional f.c.c.-Ni–Fe alloys, which concern the coexistence and interplay of atomic (‘chemical’) and magnetic orders. An attempt is performed to relate the symmetry–energy and configuration–entropy characteristics of spatial distribution of atomic subsystem of f.c.c.-Ni–Fe alloys with their magnetism (ferro-, ferri- and/or antiferromagnetic orders) and statistical interatomic correlations (of either short-range or long-range extents). A number of results of investigation by theoretical methods of equilibrium statistical thermodynamics of magnetic alloys are considered in details. In particular, the phase diagram, critical-point effects and phase transitions, etc. are analysed by means of the self-consistent-field and mean-field methods, the cluster-variation method, the Monte Carlo method, and ab initio calculations. Among the methods for investigation of kinetics of order–disorder and order–order phase transformations in magnetic alloys, the Onsager approach, the phase-field method, the kinetic Monte Carlo method, and the molecular dynamics method are critically considered. As shown, a consistent estimation of physical properties of f.c.c.-Ni–Fe alloys by the use of computational techniques and simulation is only possible by means of simultaneous and self-consistent study of atomic and magnetic subsystems with their significant mutual influence.

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