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An interatomic potential for nickel is developed that is based on an empirical tight-binding approach. The model reproduces accurately the energy-volume diagram of nickel polytypes obtained from ab initio calculations. To test the transferability of the model to different atomic environments, we performed molecular-dynamics simulations to study the structures of some nickel clusters. The results obtained are in good agreement with those obtained from experiments.
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Chenglin Luo (1998) studied this question.
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