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Proceedings Paper

Vacancy clusters in alpha-iron
Author(s): Alexander I. Melker; Dmitrii B. Mizandrontsev
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Paper Abstract

The method of molecular dynamics is used to compute the binding energies of different configurations of vacancy clusters in (alpha) -iron. Calculations are performed with the help of long-range oscillating pair potentials found on the basis of a model pseudopotential approach. For improving the convergence of the lattice sums, a space window is introduced. It is found that in the range from divacancy to 27-vacancy various atomic configurations are formed which can be considered as nuclei of dislocation loops, voids, and new-type crystal lattices. Nickel addition to (alpha) -iron leads to increase in the binding energy of mobile vacancy clusters. The increase is accompanied by dimensional transition with the resulting formation of immobile clusters.

Paper Details

Date Published: 25 January 2000
PDF: 7 pages
Proc. SPIE 4064, Third International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering, (25 January 2000); doi: 10.1117/12.375426
Show Author Affiliations
Alexander I. Melker, St. Petersburg State Technical Univ. (Russia)
Dmitrii B. Mizandrontsev, St. Petersburg State Technical Univ. (Russia)


Published in SPIE Proceedings Vol. 4064:
Third International Workshop on Nondestructive Testing and Computer Simulations in Science and Engineering
Alexander I. Melker, Editor(s)

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