TY - JOUR
T1 - How to apply the phase field method to model radiation damage
AU - Tonks, Michael R.
AU - Cheniour, Amani
AU - Aagesen, Larry
N1 - Publisher Copyright:
© 2018 Elsevier B.V.
PY - 2018/5
Y1 - 2018/5
N2 - The phase field (PF) method provides a valuable means of predicting radiation induced microstructure evolution of domains ranging roughly from 100 nm to 100 μm in size and for lengths of time ranging from microseconds to years, depending on the rate of diffusion. In this work we summarize how to apply the PF method to modeling radiation damage. We begin by summarizing the PF method, and discuss the numerical solution of the PF equations. We then summarize approaches for representing the free energy of defects within a material. Next, three PF approaches for representing extended defects are discussed: the Wheeler, Boettinger, and McFadden model, the Kim, Kim, Suzuki model, and the Grand Potential model. We use a simple 1D void growth problem to compare the predictions of these models, as well as their computational expense. We end by describing how defect generation, recombination and annihilation at sinks can be described by the PF method, as well as discussing modifications required to model nucleation.
AB - The phase field (PF) method provides a valuable means of predicting radiation induced microstructure evolution of domains ranging roughly from 100 nm to 100 μm in size and for lengths of time ranging from microseconds to years, depending on the rate of diffusion. In this work we summarize how to apply the PF method to modeling radiation damage. We begin by summarizing the PF method, and discuss the numerical solution of the PF equations. We then summarize approaches for representing the free energy of defects within a material. Next, three PF approaches for representing extended defects are discussed: the Wheeler, Boettinger, and McFadden model, the Kim, Kim, Suzuki model, and the Grand Potential model. We use a simple 1D void growth problem to compare the predictions of these models, as well as their computational expense. We end by describing how defect generation, recombination and annihilation at sinks can be described by the PF method, as well as discussing modifications required to model nucleation.
KW - Computational nuclear materials
KW - Phase field method
KW - Radiation damage
UR - http://www.scopus.com/inward/record.url?scp=85042630905&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2018.02.007
DO - 10.1016/j.commatsci.2018.02.007
M3 - Article
AN - SCOPUS:85042630905
SN - 0927-0256
VL - 147
SP - 353
EP - 362
JO - Computational Materials Science
JF - Computational Materials Science
ER -