PRISMS-PF: Equilibrium Shape for a Misfitting Precipitate

By Stephen DeWitt1; Nicole Shuman2; Susan P Gentry2

1. University of Michigan 2. University of California, Davis

Use the phase field method to determine the equilibrium shape of precipitate with misfit strain relative to the matrix.

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Version 1.1 - published on 25 Sep 2020

doi:10.21981/2S8H-JW85 cite this

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Abstract

This app calculates the equilibrium shape of a precipitate (particle) that has a misfit strain relative to the matrix it sits in. The calculation is performed using the phase field method using the PRISMS-PF framework (https://prisms-center.github.io/phaseField/). The app automatically measures the dimensions of the precipitate as well as the volume fraction. Users can see how these values change as they modify the components of the misfit strain, the elastic constants for the matrix and precipitate, and the interfacial energy.

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Credits

Tool Development: Stephen DeWitt (University of Michigan)

Simulation Optimization: Nicole Shuman (University of California, Davis)

Worksheet/Educational Materials: Susan Gentry (University of California, Davis), Mingwei Zhang (University of California, Davis)

 

Sponsored by

Stephen DeWitt acknowledges support from the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Materials Sciences and Engineering under Award #DE-SC0008637 as part of the Center for PRedictive Integrated Structural Materials Science (PRISMS Center) at University of Michigan.

Nicole Shuman acknowledges support from the National Science Foundation, Network for Computational Nanotechnology Cyberplatform, Award #EEC-1227110. 

References

Stephen DeWitt, et al., prisms-center/phaseField: PRISMS-PF (Version 2.1.1) (Version v2.1.1). Zenodo. http://doi.org/10.5281/zenodo.2583308 (2019)

Cite this work

Researchers should cite this work as follows:

  • Stephen DeWitt, Nicole Shuman, Susan P Gentry (2020), "PRISMS-PF: Equilibrium Shape for a Misfitting Precipitate," https://nanohub.org/resources/prismspfmisfit. (DOI: 10.21981/2S8H-JW85).

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