Microstructure dependence of diffusional transport

Jingzhi Zhu; Long Qing Chen; Jie Shen; Veena Tikare

doi:10.1016/S0927-0256(00)00123-3

Microstructure dependence of diffusional transport

Jingzhi Zhu, Long Qing Chen, Jie Shen, Veena Tikare

Research output: Contribution to journal › Article › peer-review

31 Scopus citations

Abstract

A simple and effective numerical method is proposed for simulating the temporal diffusive mass transport process through a microstructure with arbitrary complexity described by a phase-field approach. The mass diffusion through a given microstructure is modeled by a diffusion equation with a variable diffusion coefficient, which is solved by an efficient and accurate semi-implicit spectral method. It is shown that it is possible to extract the effective diffusion coefficient for any given microstructure from the temporal concentration profiles. The method is used to simulate the grain boundary diffusion in a single-phase polycrystalline grain structure and the heterogeneous diffusion in a two-phase microstructure with different diffusion coefficient in each phase. Results are compared with existing analytical theories and computer simulations.

Original language	English (US)
Pages (from-to)	37-47
Number of pages	11
Journal	Computational Materials Science
Volume	20
Issue number	1
DOIs	https://doi.org/10.1016/S0927-0256(00)00123-3
State	Published - 2001

All Science Journal Classification (ASJC) codes

General Computer Science
General Chemistry
General Materials Science
Mechanics of Materials
General Physics and Astronomy
Computational Mathematics

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10.1016/S0927-0256(00)00123-3

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title = "Microstructure dependence of diffusional transport",

abstract = "A simple and effective numerical method is proposed for simulating the temporal diffusive mass transport process through a microstructure with arbitrary complexity described by a phase-field approach. The mass diffusion through a given microstructure is modeled by a diffusion equation with a variable diffusion coefficient, which is solved by an efficient and accurate semi-implicit spectral method. It is shown that it is possible to extract the effective diffusion coefficient for any given microstructure from the temporal concentration profiles. The method is used to simulate the grain boundary diffusion in a single-phase polycrystalline grain structure and the heterogeneous diffusion in a two-phase microstructure with different diffusion coefficient in each phase. Results are compared with existing analytical theories and computer simulations.",

author = "Jingzhi Zhu and Chen, {Long Qing} and Jie Shen and Veena Tikare",

note = "Funding Information: The authors are grateful for the financial support from the Sandia National Laboratory and the National Science Foundation under Grant No. DMR 96-33719 and DMS 9721413. ",

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TY - JOUR

T1 - Microstructure dependence of diffusional transport

AU - Zhu, Jingzhi

AU - Chen, Long Qing

AU - Shen, Jie

AU - Tikare, Veena

N1 - Funding Information: The authors are grateful for the financial support from the Sandia National Laboratory and the National Science Foundation under Grant No. DMR 96-33719 and DMS 9721413.

PY - 2001

Y1 - 2001

N2 - A simple and effective numerical method is proposed for simulating the temporal diffusive mass transport process through a microstructure with arbitrary complexity described by a phase-field approach. The mass diffusion through a given microstructure is modeled by a diffusion equation with a variable diffusion coefficient, which is solved by an efficient and accurate semi-implicit spectral method. It is shown that it is possible to extract the effective diffusion coefficient for any given microstructure from the temporal concentration profiles. The method is used to simulate the grain boundary diffusion in a single-phase polycrystalline grain structure and the heterogeneous diffusion in a two-phase microstructure with different diffusion coefficient in each phase. Results are compared with existing analytical theories and computer simulations.

AB - A simple and effective numerical method is proposed for simulating the temporal diffusive mass transport process through a microstructure with arbitrary complexity described by a phase-field approach. The mass diffusion through a given microstructure is modeled by a diffusion equation with a variable diffusion coefficient, which is solved by an efficient and accurate semi-implicit spectral method. It is shown that it is possible to extract the effective diffusion coefficient for any given microstructure from the temporal concentration profiles. The method is used to simulate the grain boundary diffusion in a single-phase polycrystalline grain structure and the heterogeneous diffusion in a two-phase microstructure with different diffusion coefficient in each phase. Results are compared with existing analytical theories and computer simulations.

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JO - Computational Materials Science

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Microstructure dependence of diffusional transport

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