Molecular dynamics studies of melting : I. dislocation density and the pair distribution function

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Abstract
The dislocation theory of melting has been investigated by means of a pseudostatic computational model, in which random dislocations were generated according to the elastic equations, allowance being made for relaxations in the core regions. It is found that when the dislocation density reaches a certain value, a liquid-like pair distribution function is obtained. The model also gives an estimate of the formation volume of an ‘average dislocation’. Furthermore, the model gives a reasonable value for the volume expansion of melting, at a saturation density of dislocations corresponding to the beginning of core overlap.

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