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Title: Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains

Abstract

Sintering is a widely used powder processing technique in industrial applications. During sintering, atoms migrate to decrease the energy of the system via two main mechanisms: coarsening and densification, both of which lead to significant morphological variation of the sintered microstructure. When simulating sintering dynamics, the phase-field method has been broadly utilized because of its convenience in tracking morphology evolution. When a large number of grains is involved, it is common to use the same order parameter to describe multiple grains that are not in direct contact with one another (in order to reduce the computational memory demands). However, with this treatment it is difficult to handle the rigid-body motion of individual grains during densification. In this work, an implementation scheme is introduced to overcome the challenge of calculating individual particle motion based on existing equations. It uses a grouping algorithm and sets a cutoff radius on each grain for calculating the particle velocity during densification. This method allows for the incorporation of the densification mechanism, which has been commonly ignored in previous work, into phase-field sintering models in three-dimensional simulations with a large number of particles/grains. Moreover, through combination with the smoothed boundary method, material properties of sintered microstructures,more » such as the effective diffusivity and Young’s modulus, can be calculated during the sintering processes.« less

Authors:
 [1];  [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Michigan State Univ., East Lansing, MI (United States)
Publication Date:
Research Org.:
Michigan State Univ., East Lansing, MI (United States)
Sponsoring Org.:
USDOE Office of Fossil Energy (FE)
OSTI Identifier:
1673775
Alternate Identifier(s):
OSTI ID: 1778361
Grant/Contract Number:  
FE0031672
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Computational Materials Science
Additional Journal Information:
Journal Volume: 186; Journal ID: ISSN 0927-0256
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Termuhlen, Robert, Chatzistavrou, Xanthippi, Nicholas, Jason D., and Yu, Hui-Chia. Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains. United States: N. p., 2020. Web. doi:10.1016/j.commatsci.2020.109963.
Termuhlen, Robert, Chatzistavrou, Xanthippi, Nicholas, Jason D., & Yu, Hui-Chia. Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains. United States. https://doi.org/10.1016/j.commatsci.2020.109963
Termuhlen, Robert, Chatzistavrou, Xanthippi, Nicholas, Jason D., and Yu, Hui-Chia. 2020. "Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains". United States. https://doi.org/10.1016/j.commatsci.2020.109963. https://www.osti.gov/servlets/purl/1673775.
@article{osti_1673775,
title = {Three-dimensional phase field sintering simulations accounting for the rigid-body motion of individual grains},
author = {Termuhlen, Robert and Chatzistavrou, Xanthippi and Nicholas, Jason D. and Yu, Hui-Chia},
abstractNote = {Sintering is a widely used powder processing technique in industrial applications. During sintering, atoms migrate to decrease the energy of the system via two main mechanisms: coarsening and densification, both of which lead to significant morphological variation of the sintered microstructure. When simulating sintering dynamics, the phase-field method has been broadly utilized because of its convenience in tracking morphology evolution. When a large number of grains is involved, it is common to use the same order parameter to describe multiple grains that are not in direct contact with one another (in order to reduce the computational memory demands). However, with this treatment it is difficult to handle the rigid-body motion of individual grains during densification. In this work, an implementation scheme is introduced to overcome the challenge of calculating individual particle motion based on existing equations. It uses a grouping algorithm and sets a cutoff radius on each grain for calculating the particle velocity during densification. This method allows for the incorporation of the densification mechanism, which has been commonly ignored in previous work, into phase-field sintering models in three-dimensional simulations with a large number of particles/grains. Moreover, through combination with the smoothed boundary method, material properties of sintered microstructures, such as the effective diffusivity and Young’s modulus, can be calculated during the sintering processes.},
doi = {10.1016/j.commatsci.2020.109963},
url = {https://www.osti.gov/biblio/1673775}, journal = {Computational Materials Science},
issn = {0927-0256},
number = ,
volume = 186,
place = {United States},
year = {2020},
month = {8}
}

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