Abstract
A new sequential method of amorphous structure simulation which does not use the hard sphere approximation is proposed. Every atom added is presented with a prescribed potential from the beginning. A method of direct minimization of cluster energy was used for generation and relaxation of the model structure. Two different empirical potentials of Morse and Bullough were used for a search for the effect of potential shape on the features of simulated structures. Two 800-atomic clusters of amorphous copper were constructed using these potentials. For both models, all structure-dependent characteristics were calculated. The long-range attraction of a Morse potential resulted in a more dense, compressed structure, while the more complicated shape of a Bullough potential resulted in another form of the pair correlation function. Also it is shown that the structure of short-range order in both cases is nearly the same and distributions of microstrains differ markedly.
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