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Finite-Temperature Atomistic and Continuum Stress Fields of Coherent Precipitates with a Small Lattice Misfit

Published

Author(s)

Anas Abu-Odeh, James Warren

Abstract

An accurate description of elastic effects of coherent microstructures is necessary for the predictive modeling of microstructural evolution in many structural materials. To date, there has not been a demonstration on how continuum elasticity models are able to reproduce finite-temperature stress-fields and elastic energy estimates of coherent precipitates from atomistic simulations. We present a comparison of stress-fields of coherent precipitates in the BCC Fe-Cr system obtained from atomistic simulation data and from continuum elasticity modeling. The magnitude and topology of the stress-fields show good agreement between the two approaches, and we show the importance of elastic effects on the Gibbs-Thompson effect for this small lattice misfit system. We conclude with a discussion of potential complications of continuum modeling for systems with larger misfit.
Citation
Computational Materials Science

Citation

Abu-Odeh, A. and Warren, J. (2024), Finite-Temperature Atomistic and Continuum Stress Fields of Coherent Precipitates with a Small Lattice Misfit, Computational Materials Science (Accessed December 13, 2024)

Issues

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Created November 5, 2024, Updated November 7, 2024