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Radiation Effects Volume 57, 1981 - Issue 3
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Original Articles

Boundary conditions and point defect computer simulation

K. M. Miller Central Electricity Generating Board, Berkeley Nuclear Laboratories, Berkeley, Gloucestershire, GL13 9PB, U.K.
Pages 93-98 | Received 12 Jun 1980, Published online: 05 Oct 2010
 
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Abstract

Three physically distinct boundary conditions have been previously used in the real space computer simulation of point defects. The difference between them is discussed and their effect on vacancy formation energy is investigated.

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