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

Termuhlen, Robert; Chatzistavrou, Xanthippi; Nicholas, Jason D.; Yu, Hui-Chia

doi:10.1016/j.commatsci.2020.109963

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

Journal Article · Mon Aug 17 00:00:00 EDT 2020 · Computational Materials Science

DOI:https://doi.org/10.1016/j.commatsci.2020.109963· OSTI ID:1673775

Termuhlen, Robert ^[1]; Chatzistavrou, Xanthippi ^[1];

^[1];

^[1]

Michigan State Univ., East Lansing, MI (United States)

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.

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Research Organization:: Michigan State Univ., East Lansing, MI (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy (FE)

Grant/Contract Number:: FE0031672

OSTI ID:: 1673775

Alternate ID(s):: OSTI ID: 1778361

Journal Information:: Computational Materials Science, Vol. 186; ISSN 0927-0256

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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