Issues »  Volume 11, Issue 3

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

I. V. Vernyhora$^{1,2}$, S. M. Bokoch$^{3,4}$, V. A. Tatarenko$^{2}$

$^1$Institute of Applied Physics, NAS of Ukraine, 58 Petropavlivska Str., 40000 Sumy, Ukraine
$^2$G.V. Kurdyumov Institute for Metal Physics, NAS of Ukraine, 36 Academician Vernadsky Blvd., UA-03142 Kyiv, Ukraine
$^3$Laboratoire Jean Kuntzmann, UMR 5224 CNRS, Tour IRMA, 51 rue des Mathematiques, B.P. 53, 38041 Grenoble Cedex 9, France
$^4$Paul-Drude-Institut für Festkörperelektronik, Hausvogteiplatz 5—7, 10117 Berlin, Germany

Received: 05.03.2010; final version - 20.09.2010. Download: PDF

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.

Keywords: f.c.c.-Ni–Fe alloys, order–disorder phase transformation, magnetic ordering, invar effect, computer modeling methods, self-consistent field approach, cluster variation method, Monte-Carlo method, ab initio calculation, phase field method, Onsager method, Monte-Carlo kinetic method, molecular dynamics.

PACS: 05.10.Ln, 61.72.Bb, 64.60.De, 75.30.-m, 75.40.Mg, 75.50.Bb, 81.30.-t

DOI: https://doi.org/10.15407/ufm.11.03.313

Citation: I. V. Vernyhora, S. M. Bokoch, and V. A. Tatarenko, 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, Usp. Fiz. Met., 11, No. 3: 313—368 (2010) (in Ukrainian), doi: 10.15407/ufm.11.03.313

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Cited By (1)
  1. I. V. Vernyhora, V. A. Tatarenko and S. M. Bokoch, ISRN Thermodynamics 2012, 1 (2012).

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