Point defect dynamics in bcc metals

Journal Article · Tue Feb 01 04:00:00 EST 2005 · Physical Review. B, Condensed Matter and Materials Physics

DOI:https://doi.org/10.1103/PhysRevB.71.064109· OSTI ID:20665121

Rottler, Joerg; Srolovitz, David J; Car, Roberto ^[1]

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1. Princeton Institute for the Science and Technology of Materials (PRISM), Princeton University, Princeton, New Jersey 08544 (United States)

We present an analysis of the time evolution of self-interstitial atom and vacancy (point defect) populations in pure bcc metals under constant irradiation flux conditions. Mean-field rate equations are developed in parallel to a kinetic Monte Carlo (kMC) model. When only considering the elementary processes of defect production, defect migration, recombination and absorption at sinks, the kMC model and rate equations are shown to be equivalent and the time evolution of the point defect populations is analyzed using simple scaling arguments. We show that the typically large mismatch of the rates of interstitial and vacancy migration in bcc metals can lead to a vacancy population that grows as the square root of time. The vacancy cluster size distribution under both irreversible and reversible attachment can be described by a simple exponential function. We also consider the effect of highly mobile interstitial clusters and apply the model with parameters appropriate for vanadium and {alpha}-iron.

• OSTI ID: 20665121
• Journal Information: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 6 Vol. 71; ISSN 1098-0121
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ABSORPTION
BCC LATTICES
CRYSTALS
DIFFUSION
INTERSTITIALS
IRON-ALPHA
IRRADIATION
MEAN-FIELD THEORY
MONTE CARLO METHOD
RADIATION EFFECTS
RECOMBINATION
SINKS
VACANCIES
VANADIUM