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Proceedings Paper

Computer simulation of copper precipitation in alpha-Fe under neutron irradiation
Author(s): Evgeni E. Zhurkin; Olga Ya. Khrushcheva; Yaroslav A. Berdnikov
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Paper Abstract

In this contribution we report on our studies of the behavior of copper as one of the typical substitutional impurities in rector vessel steels under neutron irradiation using methods of computer simulation in atomic scale. The properties of alpha-iron with small amount of copper impurity were studied with Metropolis Monte-Carlo method applied for canonical ensemble at constant pressure. For exclusion of boundary effects we considered simulation boxes with periodic boundary conditions. Initial distribution of copper substitutional impurity was chosen uniformly all over the box volume. It was shown, that at both reactor and room temperatures copper has a tendency to form precipitates in pure iron. If we introduce in the simulation box radiation defects, formed by PKA cascades, copper atoms also tend to precipitate, forming stable complexes with vacancy clusters. After introducing an edge dislocation in the simulation box (Burgers vector is 1/2 <100>) the segregation of copper into the area of a dislocation core is observed.

Paper Details

Date Published: 18 February 2002
PDF: 7 pages
Proc. SPIE 4627, Fifth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (18 February 2002); doi: 10.1117/12.456251
Show Author Affiliations
Evgeni E. Zhurkin, St. Petersburg State Technical Univ. (Russia)
Olga Ya. Khrushcheva, St. Petersburg State Technical Univ. (Russia)
Yaroslav A. Berdnikov, St. Petersburg State Technical Univ. (Russia)


Published in SPIE Proceedings Vol. 4627:
Fifth International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering

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