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Mukherjee, DeepjyotiORCID iD iconorcid.org/0000-0002-8459-5405
Publications (7 of 7) Show all publications
Mukherjee, D., Larsson, H. & Odqvist, J. (2024). Phase Field Study of Discontinuous Precipitation in a Miscibility Gap System. Journal of Phase Equilibria and Diffusion, 45(6), 1079-1087
Open this publication in new window or tab >>Phase Field Study of Discontinuous Precipitation in a Miscibility Gap System
2024 (English)In: Journal of Phase Equilibria and Diffusion, ISSN 1547-7037, Vol. 45, no 6, p. 1079-1087Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
Springer Nature, 2024
Keywords
DIGM, discontinuous precipitation, grain boundary diffusion, phase field modeling, phase transformation
National Category
Metallurgy and Metallic Materials
Identifiers
urn:nbn:se:kth:diva-366311 (URN)10.1007/s11669-024-01155-2 (DOI)001318957200002 ()2-s2.0-85204680816 (Scopus ID)
Note

Not duplicate with DiVA 1693125

QC 20250707

Available from: 2025-07-07 Created: 2025-07-07 Last updated: 2025-07-07Bibliographically approved
Mukherjee, D., Larsson, H. & Odqvist, J. (2022). Simulating Diffusion Induced Grain Boundary Migration in Binary Fe-Zn. Metals, 12(10), Article ID 1632.
Open this publication in new window or tab >>Simulating Diffusion Induced Grain Boundary Migration in Binary Fe-Zn
2022 (English)In: Metals, ISSN 2075-4701, Vol. 12, no 10, article id 1632Article in journal (Refereed) Published
Abstract [en]

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.

Place, publisher, year, edition, pages
MDPI AG, 2022
Keywords
DIGM, binary, phase-field, strain energy, boundary, diffusion
National Category
Metallurgy and Metallic Materials
Identifiers
urn:nbn:se:kth:diva-321258 (URN)10.3390/met12101632 (DOI)000873128500001 ()2-s2.0-85140917879 (Scopus ID)
Note

QC 20221111

Available from: 2022-11-11 Created: 2022-11-11 Last updated: 2022-11-11Bibliographically approved
Mukherjee, D., Forslund, A., Höglund, L., Ruban, A. V., Larsson, H. & Odqvist, J. (2022). Towards predictive simulations of spinodal decomposition in Fe-Cr alloys. Computational materials science, 202, Article ID 110955.
Open this publication in new window or tab >>Towards predictive simulations of spinodal decomposition in Fe-Cr alloys
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2022 (English)In: Computational materials science, ISSN 0927-0256, E-ISSN 1879-0801, Vol. 202, article id 110955Article in journal (Refereed) Published
Abstract [en]

Simulations of spinodal decomposition in an Fe-36 wt%Cr alloy at 773 K are performed by solving the non -linear Cahn-Hilliard equation, and the results are compared with atom probe tomography measurements. The influence of gradient energy coefficient, atomic mobilities and initial structure on the kinetics of spinodal decomposition is studied. It is shown that a proper initial structure, accounting for the thermal history above the miscibility gap, is crucial and enables predictive simulations of spinodal decomposition in Fe-Cr alloys.

Place, publisher, year, edition, pages
Elsevier BV, 2022
Keywords
Spinodal decomposition, Monte-Carlo, DFT, APT, Radial distribution function, Gradient energy coefficient, Mobilities, Initial structure
National Category
Metallurgy and Metallic Materials
Identifiers
urn:nbn:se:kth:diva-306362 (URN)10.1016/j.commatsci.2021.110955 (DOI)000718888500004 ()2-s2.0-85118144953 (Scopus ID)
Note

QC 20211215

Available from: 2021-12-15 Created: 2021-12-15 Last updated: 2022-09-17Bibliographically approved
Mukherjee, D., Larsson, H. & Odqvist, J. (2020). Phase field modelling of diffusion induced grain boundary migration in binary alloys.. Computational materials science, 184, Article ID 109914.
Open this publication in new window or tab >>Phase field modelling of diffusion induced grain boundary migration in binary alloys.
2020 (English)In: Computational materials science, ISSN 0927-0256, E-ISSN 1879-0801, Vol. 184, article id 109914Article in journal (Refereed) Published
Abstract [en]

The Phase field method has been used to study Diffusion Induced Grain boundary Migration (DIGM) in binary alloys. Simulations are performed for a simple hypothetical binary substitutional solid solution. The model is developed by taking into account the elastic interactions arising due to changes in concentration across a grain boundary when solutes are diffusing along the grain boundary. This gives a coupling term in the Gibbs energy functional that acts as a driving force for grain boundary migration. Two different kinds of coupling terms are studied: one acting on both the abutting grains and the other acting on only one grain. The former gives a freedom of choice as to in which direction the grain boundary will move, and is considered more general, whereas the latter only moves in one direction, regardless of the shape of the grain boundary. The results from the model are in qualitative agreement with previous experimental studies.

Place, publisher, year, edition, pages
Elsevier BV, 2020
Keywords
DIGM, Interaction energy, Phase field, Grain boundary, Binary, Elastic strain, Shear modulus
National Category
Metallurgy and Metallic Materials
Research subject
Materials Science and Engineering
Identifiers
urn:nbn:se:kth:diva-282229 (URN)10.1016/j.commatsci.2020.109914 (DOI)000566887100002 ()2-s2.0-85088103773 (Scopus ID)
Funder
Swedish Foundation for Strategic Research, RMA-15-0062
Note

QC 20201105

Available from: 2020-11-05 Created: 2020-11-05 Last updated: 2022-10-03Bibliographically approved
Mukherjee, D., Larsson, H., Odqvist, J. & Dahlberg, C. F. O.Phase field modeling of discontinuous precipitation in (Ti,Zr)C.
Open this publication in new window or tab >>Phase field modeling of discontinuous precipitation in (Ti,Zr)C
(English)Manuscript (preprint) (Other academic)
Abstract [en]

Discontinuous precipitation at high temperatures in (Ti,Zr)C was modeled using the phase field method. The modelling was based on previous treatments of diffusion induced grain boundary migration and spinodal decomposition. A fair agreement with experimental observations was obtained. However, a more refined treatment of the effect of strain energy is left for future work.

Keywords
Cemented carbides, Miscibility-gap, Diffusion, Phase-field, Discontinuous Precipitation, Strain energy
National Category
Metallurgy and Metallic Materials
Identifiers
urn:nbn:se:kth:diva-317075 (URN)
Funder
Swedish Foundation for Strategic Research, RMA15-0062
Note

QCR 20220906

Available from: 2022-09-05 Created: 2022-09-05 Last updated: 2022-09-17Bibliographically approved
Mukherjee, D., Larsson, H. & Odqvist, J.Phase Field Study of Discontinuous Precipitation in a Miscibility Gap System.
Open this publication in new window or tab >>Phase Field Study of Discontinuous Precipitation in a Miscibility Gap System
(English)Manuscript (preprint) (Other academic)
Abstract [en]

A phase field model is developed to study the discontinuous (cellular) precipitation(DP) in a hypothetical A-B miscibility gap system. The model employs an interaction energy term which couples the mole fraction (xA) and the phase field variable (Φ) to study the mechanism behind the precipitation process. The term was used recently to model diffusion induced grain boundary migration in a hypothetical binary system Ref. Mukherjee et al. 2020. The interaction term suggests that strain energy develops after nucleation of DP strands at grain boundaries. The strands are observed to grow behind a moving grain boundary which favours one of the grains, thereby, taking the same orientation of the grain behind the growth front. The factors such as gradient energy coefficient (κ), the prefactor (K) from Hillert's expression for strain energy Ref. Hillert 1983, interfacial mobility (MΦ) and interface diffusion (F) are altered to study their influence on lamellar spacing.

Keywords
Discontinuous Precipitation, Phase-Field, Diffusion, Interface, Boundary, Miscibility-gap
National Category
Metallurgy and Metallic Materials
Research subject
Materials Science and Engineering
Identifiers
urn:nbn:se:kth:diva-317074 (URN)
Funder
Swedish Foundation for Strategic Research, RMA-15-0062
Note

QCR 20220906

Available from: 2022-09-05 Created: 2022-09-05 Last updated: 2022-09-17Bibliographically approved
Mukherjee, D., Larsson, H. & Odqvist, J.Simulating diffusion induced grain boundary migration in binary Fe-Zn.
Open this publication in new window or tab >>Simulating diffusion induced grain boundary migration in binary Fe-Zn
(English)Manuscript (preprint) (Other academic)
Abstract [en]

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.

Keywords
DIGM; Binary; Phase-Field; Strain Energy, Boundary, Diffusion
National Category
Metallurgy and Metallic Materials
Research subject
Materials Science and Engineering
Identifiers
urn:nbn:se:kth:diva-317072 (URN)
Funder
Swedish Foundation for Strategic Research, RMA-15-0062
Note

QCR 20220906

Available from: 2022-09-05 Created: 2022-09-05 Last updated: 2022-10-03Bibliographically approved
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ORCID iD: ORCID iD iconorcid.org/0000-0002-8459-5405

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