Statistical Thermodynamics of the Substitutional Short-Range Atomic Order and Kinematics of the Diffuse Scattering of Radiations in (Para)Magnetic F.C.C.-Ni–Fe Alloys

Bokoch, S. M.; Tatarenko, V. A.; Vernyhora, I. V.

doi:10.15407/ufm.13.03.269

Cited by 3 publications

(5 citation statements)

References 78 publications

(270 reference statements)

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“…(9) was suggested by A. Khachaturyan [7] with arguments of Fermi-Dirac-type equation. He used it in his method of concentration waves describing ordered binary structures (see also [12][13][14]). These equations may be rather effectively applied for the construction of equilibrium phase diagrams of binary and multicomponent alloys, but with important restriction of the universal rigid lattice.…”

Section: Steady-state Limit Of 3d-generalization Of the Martin's Modelmentioning

confidence: 99%

“…To check this prediction, we found x 0 , x 1 , x 2 by direct numeric simulation of fluctuations according to numeric solution of the Eqs. (13), (14). Results of simulation are shown in Fig.…”

Section: Fluctuations Of Concentration In Fcc Solid Solution With mentioning

confidence: 99%

“…In other words, we predict that in regular solution runs SKMF 2 KMC 0 runs , ( ) (1 ) . (1 ) ( 13) . C C k n M − = Numeric experiment confirms the above-described analytic theory, at least, for small positive and for any reasonable negative mixing energy (see Fig.…”

Section: Fluctuations Of Concentration In Fcc Solid Solution With mentioning

confidence: 99%

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Martin’s Kinetic Mean-Field Model Revisited—Frequency Noise Approach versus Monte Carlo

Гусак¹,

Zaporozhets²

2018

Metallofiz. Noveishie Tekhnol.

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Development of the non-linear kinetic mean-field model suggested by GeorgeMartin in 1990 is discussed. Its steady-state limit is shown to coincide with Khachaturyan's model. It is proved rigorously that Martin's model and its 3D version always provide decrease of free energy and are unable to model any overcoming of free-energy barrier, including nucleation. To enable nucleation processes within the mean-field models, the introduction of noise is necessary. Contrary to common way of noise introduction (noise of concentration), we introduce the noise of jump frequencies as a basic reason of fluctuations. The new method is called as Stochastic Kinetic Mean Field (SKMF). In this paper, we investigate and compare the dispersion and spatial correlations of concentration fluctuations by three methods-direct Monte Carlo simulation, numeric simulation by SKMF method, and analytic approximation within the scope of SKMF. Comparison confirms the correspondence of frequency noise to the averaging over finite number of Monte Carlo runs (over finite number of copies of the canonical ensemble).

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Section: Steady-state Limit Of 3d-generalization Of the Martin's Modelmentioning

confidence: 99%

Section: Fluctuations Of Concentration In Fcc Solid Solution With mentioning

confidence: 99%

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Martin’s Kinetic Mean-Field Model Revisited—Frequency Noise Approach versus Monte Carlo

Гусак¹,

Zaporozhets²

2018

Metallofiz. Noveishie Tekhnol.

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“…If we consider explicitly a mutual influence of the magnetic and atomic subsystems in the configuration-dependent part of free energy of a disordered alloy (see Eqs. ( 19)-( 22)), the KCM formula (36) stays valid [131], and it is not necessary to overestimate the statistical correlation influence and many-particle force interactions of substitutional atoms in magnetic alloy, at the same time, unreasonably neglecting the apparent magnetism of an alloy [50][51][52]57].…”

Section: ( )mentioning

confidence: 99%

“…( 15), (31), (32) and the KCM formula (36)). As a result, the orientational (azimuthal) dependence of diffuse-scattering intensities around the Bragg reflections (in the vicinity of 'fundamental' point Γ(0 0 0)) will be pronounced effect [131] (see also Fig. 4 and 6).…”

Section: ( )mentioning

confidence: 99%

Untitled

2010

Usp. Fiz. Met.

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Within the scope of the self-consistent-field (SCF) and mean-SCF (MSCF) approximations, static-concentration-waves and Matsubara-Kanzaki-Krivoglaz lattice statics methods, on the basis of state-of-the-art diffraction data concerning coherent and diffuse scattering of radiations in (dis)ordered f.c.c.-Ni-Fe alloys for various composition-temperature regions, and on the basis of data of independent magnetic measurements, the regular parameterization and estimation of 'pair-wise' interatomic interactions of the various nature (namely, 'direct' short-range 'electrochemical' and magnetic contributions as well as indirect long-range 'strain-induced' interaction) have been carried out taking into account their concentration and temperature dependences. As shown unfortunately, many of available 'electrochemical' interaction parameters obtained with use of the well-known ab initio and semi-phenomenological computational methodologies are limited in their applications for the statisticalthermodynamic analysis of f.c.c.-Ni-Fe alloys because most of them are contrary to the regularities of a 'mixing'-energy symmetry and, as a result, to the symmetries of observed L1 2 -Ni 3 Fe-, L1 0 -NiFe-or L1 2 -Fe 3 Ni-type ordered phas-Успехи физ. мет. / Usp. Fiz. Met. 2010, т. 11, сс. 413-460 Оттиски доступны непосредственно от издателя Фотокопирование разрешено только в соответствии с лицензией © 2010 ИМФ (Институт металлофизики им. Г. В. Курдюмова НАН Украины) Напечатано в Украине.

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