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

105 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 2011

All Science Journal Classification (ASJC) codes

General Computer Science
General Chemistry
General Materials Science
Mechanics of Materials
General Physics and Astronomy
Computational Mathematics

Access to Document

10.1016/j.commatsci.2010.10.034

Cite this

@article{5b6d4ec80cce4930b76f5cd8a1f23c9e,

title = "Phase-field simulation of irradiated metals: Part I: Void kinetics",

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.",

author = "Millett, \{Paul C.\} and Anter El-Azab and Srujan Rokkam and Michael Tonks and Dieter Wolf",

note = "Funding Information: This work was supported through the INL Laboratory Directed Research and Development program under DOE Idaho Operations Office Contract No. DE-AC07-051D14517V. We also acknowledge support from the DOE/BES funded Computational Materials Science Network (CMSN) project on “Multi-scale simulation of thermo-mechanical processes in irradiated fission-reactor materials.” The authors also gratefully acknowledge technical support from the INL High-Performance Computing group.",

year = "2011",

month = jan,

doi = "10.1016/j.commatsci.2010.10.034",

language = "English (US)",

volume = "50",

pages = "949--959",

journal = "Computational Materials Science",

issn = "0927-0256",

publisher = "Elsevier B.V.",

number = "3",

}

TY - JOUR

T1 - Phase-field simulation of irradiated metals

T2 - Part I: Void kinetics

AU - Millett, Paul C.

AU - El-Azab, Anter

AU - Rokkam, Srujan

AU - Tonks, Michael

AU - Wolf, Dieter

N1 - Funding Information: This work was supported through the INL Laboratory Directed Research and Development program under DOE Idaho Operations Office Contract No. DE-AC07-051D14517V. We also acknowledge support from the DOE/BES funded Computational Materials Science Network (CMSN) project on “Multi-scale simulation of thermo-mechanical processes in irradiated fission-reactor materials.” The authors also gratefully acknowledge technical support from the INL High-Performance Computing group.

PY - 2011/1

Y1 - 2011/1

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.

UR - https://www.scopus.com/pages/publications/78650687312

UR - https://www.scopus.com/pages/publications/78650687312#tab=citedBy

U2 - 10.1016/j.commatsci.2010.10.034

DO - 10.1016/j.commatsci.2010.10.034

M3 - Article

AN - SCOPUS:78650687312

SN - 0927-0256

VL - 50

SP - 949

EP - 959

JO - Computational Materials Science

JF - Computational Materials Science

IS - 3

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this