Phase field modelling of diffusion induced grain boundary migration in binary alloys.

Mukherjee, D.; Larsson, Henrik; Odqvist, Joakim

doi:10.1016/j.commatsci.2020.109914

Cited by 6 publications

(8 citation statements)

References 24 publications

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“…consistent with the observed features of DIGM in nearly all cases" [14]. The purpose of the present paper is to test this prediction on a real case, the binary Fe-Zn system, using a recently developed phase-field model for simulating DIGM by Mukherjee et al [19].…”

Section: Introductionsupporting

confidence: 56%

“…The model was described in detail in [19] for a hypothetical binary system. For the convenience of the reader, the main parts are repeated here for the Fe-Zn case.…”

Section: Phase-field Model For Digm In Fe-znmentioning

confidence: 99%

“…The term was proposed as an interaction between concentration and phase field variable by Cahn et al [14] and later modified by Mukherjee et al [19] to model DIGM in a hypothetical system, which for the Fe-Zn system can be written as:…”

Section: Governing Equationsmentioning

confidence: 99%

“…According to microprobe measurements in [23], the mole fraction Zn on the sample surface was close to the solubility limit for Zn, i.e., x Zn = 0.1. The initial microstructure was set up such that the grain boundary extends from the top of the surface to 10 µm below the surface, a schematic of such a setup was shown in our previous work [19].…”

Section: Simulation Setupmentioning

confidence: 99%

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Simulating Diffusion Induced Grain Boundary Migration in Binary Fe–Zn

Mukherjee

Larsson

Odqvist

2022

Metals

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A recently developed phase-field model for simulating diffusion-induced grain boundary migration (DIGM) is applied to binary Fe–Zn. The driving force for the boundary migration is assumed to come from the coherency strain energy mechanism suggested by Sulonen. The effect of the angle of the grain boundary with the surface on the velocity of the boundary migration is studied in detail. The simulation results compare favorably with experimental observations, such as the oscillatory motion of the grain boundary, velocity of the moving grain boundary during DIGM, and the maximum value of mole fraction of Zn at the surface after 20 h of heat treatment.

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Section: Introductionsupporting

confidence: 56%

“…The model was described in detail in [19] for a hypothetical binary system. For the convenience of the reader, the main parts are repeated here for the Fe-Zn case.…”

Section: Phase-field Model For Digm In Fe-znmentioning

confidence: 99%

Section: Governing Equationsmentioning

confidence: 99%

Section: Simulation Setupmentioning

confidence: 99%

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Simulating Diffusion Induced Grain Boundary Migration in Binary Fe–Zn

Mukherjee

Larsson

Odqvist

2022

Metals

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“…8 The numerical tools that are applied include ab initio solutions to the Schroodinger equation, fitting of effective many-body interaction potentials, molecular dynamics simulation, Monte Carlo simulation of defect evolution, phase-field modeling and quasicontinuum rate theory. [8][9][10][11][12][13][14][15] These methods are often very complex and have their limits of their applicability for modeling steels and alloys. 14 In iron crystals, carbon atoms are in interstitials and in the diffusion process they pass from one interstitial site to another.…”

Section: Introductionmentioning

confidence: 99%

Development of a statistical model for calculating the carbon diffusion parameters in iron and steels

Bobyr¹,

Loschkarev²,

Sharfnadel³

2022

MSEIJ

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Carbon diffusion in metals has received a lot of attention and has been the subject of intensive theoretical investigations in recent years. The purpose of this work is development a simple statistical model of the carbon atoms diffusion in the crystal lattice of metals and its application for calculating the diffusion coefficients of carbon atoms in iron and steel. The relationship between the diffusion flux of atoms and the gradient of their chemical potential, as required by non-equilibrium thermodynamics, is obtained from the basic principles of statistical thermodynamics. For a real solid solution of impurity atoms in a metal, an expression is found for the diffusion coefficient, the value of which depends on physical constants, the atomic weight of the solute, the square of the temperature and activity i-element in solid solution. The calculations have a good agreement with the known experimental data on the diffusion of carbon atoms in iron and steels and is higher than in classical atomic diffusion models. The activation energy of carbon diffusion in γ- phase of various steels has values close to 120 kJ. Proposed formula well describes the deviation of the carbon diffusion coefficient from the Arrhenius law at medium and high temperature.

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Phase Field Study of Discontinuous Precipitation in a Miscibility Gap System

Mukherjee,

Larsson,

Odqvist

2024

J. Phase Equilib. Diffus.

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A phase field model is developed to study the discontinuous (cellular) precipitation (DP) reaction in a hypothetical A-B miscibility gap system. Unlike previous treatments, the model employs an interaction energy term which couples the composition and the phase field variable to enable the necessary grain boundary movement. The influence of factors such as interaction energy, interfacial mobility and grain boundary diffusivity on the transformation rate and overall microstructure evolution are discussed.

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Phase field modelling of diffusion induced grain boundary migration in binary alloys.

Cited by 6 publications

References 24 publications

Simulating Diffusion Induced Grain Boundary Migration in Binary Fe–Zn

Simulating Diffusion Induced Grain Boundary Migration in Binary Fe–Zn

Development of a statistical model for calculating the carbon diffusion parameters in iron and steels

Phase Field Study of Discontinuous Precipitation in a Miscibility Gap System

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