Dominik Rogula (eds.)'s Nonlocal Theory of Material Media PDF

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41 In many cases periodic boundaries may be used realistically so that the model is effectively infinite in extent. Alternatively it may be adequate to use rigid boundaries, allowing any volume changes to be made between different rel~xation sequences. In some cases it may be necessary to use flexible elastic boundaries which may relax to take up changes of shape withip the computational cell. In all cases a mantle of atoms must effectively surround the relaxing crystallite so that atoms at or near the boundary have a full complement of 31 Defects in Crystalline Media neighbours.

Geometrical theories provide only a general framewerk in terms of which the detailed properties of crystal defects may be investigated. Cbntinuum theories give this detailed information for long range effects but have difficulty in providing adequate information for the important short range phenomena such as 27 Defects in Crystalline Media nucleation, combination and dissociation of defects. To investigate these intimate properties of defects the discrete nature of the structure of the core regions of the defects needs to be taken into account.

TheoPy of Dislocations, McGraw-Hill, New York, 1968. 8. , TheoPy of CPystaZ Dislocations, Clarendon, Oxford 1967. 45 Defects in Crystalline Media 9. , The Direct Observation of Dislocations, Academic Press, New York, 1964. 10. , Configurations of close-packed cluster of substitutional point defects in crystals, Phil. , 11. ~. 379, 1975. , Close packed clusters of five substitutional point defects in cubic crystals, Crystal Lattice Defects, 12. 2• 239, 1978. G. , Enumeration of migration, growth and contraction mechanisms for close-packed clusters of vacancies in fcc crystals, J.

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