Effect of elastic anisotropy and inhomogeneity on coring structure evolution in Pu-Ga alloys - Phase-field modeling

S. Y. Hu, M. I. Baskes, M. Stan, J. N. Mitchell, J. X. Zhang, Long-qing Chen

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

A coring structure in which δ (fcc) grains have Ga-rich cores with Ga-poor shells forms during the (bcc) to δ (fcc) phase transformations in Pu-Ga alloys. There are considerable differences between the diffusivities of Ga in and δ and a large and anisotropic stress field exists in the coring structure due to the large lattice mismatch between these two phases and strong elastic anisotropy. We developed a phase-field model for simulating the coring structure evolution in three dimensions, taking into account the inhomogeneities of both Ga diffusivity and elastic properties. It is shown that the elastic interactions among different oriented δ grains and diffusive Ga atoms affect Ga diffusion path, the coring structure, and the growth kinetics of the δ phase.

Original languageEnglish (US)
Pages (from-to)389-402
Number of pages14
JournalJournal of Computer-Aided Materials Design
Volume14
Issue number3
DOIs
StatePublished - Oct 1 2007

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Anisotropy
Lattice mismatch
Growth kinetics
Phase transitions
Atoms

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Computer Science Applications
  • Computational Theory and Mathematics

Cite this

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title = "Effect of elastic anisotropy and inhomogeneity on coring structure evolution in Pu-Ga alloys - Phase-field modeling",
abstract = "A coring structure in which δ (fcc) grains have Ga-rich cores with Ga-poor shells forms during the (bcc) to δ (fcc) phase transformations in Pu-Ga alloys. There are considerable differences between the diffusivities of Ga in and δ and a large and anisotropic stress field exists in the coring structure due to the large lattice mismatch between these two phases and strong elastic anisotropy. We developed a phase-field model for simulating the coring structure evolution in three dimensions, taking into account the inhomogeneities of both Ga diffusivity and elastic properties. It is shown that the elastic interactions among different oriented δ grains and diffusive Ga atoms affect Ga diffusion path, the coring structure, and the growth kinetics of the δ phase.",
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Effect of elastic anisotropy and inhomogeneity on coring structure evolution in Pu-Ga alloys - Phase-field modeling. / Hu, S. Y.; Baskes, M. I.; Stan, M.; Mitchell, J. N.; Zhang, J. X.; Chen, Long-qing.

In: Journal of Computer-Aided Materials Design, Vol. 14, No. 3, 01.10.2007, p. 389-402.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Effect of elastic anisotropy and inhomogeneity on coring structure evolution in Pu-Ga alloys - Phase-field modeling

AU - Hu, S. Y.

AU - Baskes, M. I.

AU - Stan, M.

AU - Mitchell, J. N.

AU - Zhang, J. X.

AU - Chen, Long-qing

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AB - A coring structure in which δ (fcc) grains have Ga-rich cores with Ga-poor shells forms during the (bcc) to δ (fcc) phase transformations in Pu-Ga alloys. There are considerable differences between the diffusivities of Ga in and δ and a large and anisotropic stress field exists in the coring structure due to the large lattice mismatch between these two phases and strong elastic anisotropy. We developed a phase-field model for simulating the coring structure evolution in three dimensions, taking into account the inhomogeneities of both Ga diffusivity and elastic properties. It is shown that the elastic interactions among different oriented δ grains and diffusive Ga atoms affect Ga diffusion path, the coring structure, and the growth kinetics of the δ phase.

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