Configurations of close-packed clusters of substitutional point defects in crystals

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Abstract
A theoretical study is described of the possible crystallographic configurations of small groups of either vacancies or solutes in which each point defect has at least one other point defect in a nearest-neighbour position. The number of cluster configurations that may arise for a given number of point defects depends critically on the crystal structure and in some cases a large number of types is possible each with a group of crystallographically equivalent variants. General procedures for describing and classifying these configurations are discussed. Clusters of three and four defects in all possible single lattice structures and in some important double lattice structures are enumerated. The relationships which exist between configurations in different lattices are emphasized and possible extensions and applications of the analysis are discussed. In particular the results provide a basis for a study of the nucleation of extended crystal defects using computer simulation techniques.