Phase-field simulation of irradiated metals: Part I: Void kinetics

Paul C. Millett; Anter El-Azab; Srujan Rokkam; Michael Tonks; Dieter Wolf

doi:10.1016/j.commatsci.2010.10.034

Phase-field simulation of irradiated metals: Part I: Void kinetics

Paul C. Millett, Anter El-Azab, Srujan Rokkam, Michael Tonks, Dieter Wolf

Materials Research Institute (MRI)

Research output: Contribution to journal › Article › peer-review

58 Scopus citations

Abstract

We present a phase-field model of void formation and evolution in irradiated metals by spatially and temporally evolving vacancy and self-interstitial concentration fields. By incorporating a coupled set of Cahn-Hilliard and Allen-Cahn equations, the model captures the processes of point defect generation and recombination, annihilation of defects at sinks, as well as void nucleation and growth in the presence of grain boundaries. Illustrative results are presented that characterize the rate of void growth or shrinkage due to supersaturated vacancy or interstitial concentrations, void nucleation and growth kinetics due to cascade-induced defect production, as well as void denuded and peak zones adjacent to grain boundaries.

Original language	English (US)
Pages (from-to)	949-959
Number of pages	11
Journal	Computational Materials Science
Volume	50
Issue number	3
DOIs	https://doi.org/10.1016/j.commatsci.2010.10.034
State	Published - Jan 1 2011

All Science Journal Classification (ASJC) codes

Computer Science(all)
Chemistry(all)
Materials Science(all)
Mechanics of Materials
Physics and Astronomy(all)
Computational Mathematics

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abstract = "We present a phase-field model of void formation and evolution in irradiated metals by spatially and temporally evolving vacancy and self-interstitial concentration fields. By incorporating a coupled set of Cahn-Hilliard and Allen-Cahn equations, the model captures the processes of point defect generation and recombination, annihilation of defects at sinks, as well as void nucleation and growth in the presence of grain boundaries. Illustrative results are presented that characterize the rate of void growth or shrinkage due to supersaturated vacancy or interstitial concentrations, void nucleation and growth kinetics due to cascade-induced defect production, as well as void denuded and peak zones adjacent to grain boundaries.",

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AU - Millett, Paul C.

AU - El-Azab, Anter

AU - Rokkam, Srujan

AU - Tonks, Michael

AU - Wolf, Dieter

PY - 2011/1/1

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N2 - We present a phase-field model of void formation and evolution in irradiated metals by spatially and temporally evolving vacancy and self-interstitial concentration fields. By incorporating a coupled set of Cahn-Hilliard and Allen-Cahn equations, the model captures the processes of point defect generation and recombination, annihilation of defects at sinks, as well as void nucleation and growth in the presence of grain boundaries. Illustrative results are presented that characterize the rate of void growth or shrinkage due to supersaturated vacancy or interstitial concentrations, void nucleation and growth kinetics due to cascade-induced defect production, as well as void denuded and peak zones adjacent to grain boundaries.

AB - We present a phase-field model of void formation and evolution in irradiated metals by spatially and temporally evolving vacancy and self-interstitial concentration fields. By incorporating a coupled set of Cahn-Hilliard and Allen-Cahn equations, the model captures the processes of point defect generation and recombination, annihilation of defects at sinks, as well as void nucleation and growth in the presence of grain boundaries. Illustrative results are presented that characterize the rate of void growth or shrinkage due to supersaturated vacancy or interstitial concentrations, void nucleation and growth kinetics due to cascade-induced defect production, as well as void denuded and peak zones adjacent to grain boundaries.

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