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- W2034947564 abstract "Information about the types and rapidity of defect jumps can be obtained from molecular dynamic simulations in which defects are either introduced into the starting configuration or are generated spontaneously as the simulation evolves in time. The former method has been used to study the recombination of interstitials and vacancies in NaCl and AgCl. The latter method has been used to study Frenkel defect formation and migration on the anion sub-lattice in SrCl2. As the melting point is approached there is considerable activity on the anion sub-lattice, involving the continual formation, migration and annihilation of Frenkel defects. Associated with this, the radial distribution function, the individual ion displacements, and the moments of the distribution of ion displacements, all show a gradual change from crystal-like to liquid-like behaviour." @default.
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- W2034947564 date "1985-08-01" @default.
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- W2034947564 title "Molecular dynamics simulation of defect motion" @default.
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- W2034947564 doi "https://doi.org/10.1016/0378-4363(85)90152-4" @default.
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