The melting transition of Ni7 and Ni7H as modeled by a semi-empirical potential
作者： E Curotto , David L Freeman , Bin Chen , J.D Doll
DOI: 10.1016/S0009-2614(98)00991-9
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摘要: Abstract A systematic investigation of the melting properties Ni 7 and H is presented. Classical Monte Carlo simulation methods modified by j-walking are used. Melting takes place at 100 ± 20 K heat capacity peak ∼400 wide for both systems. Using structural comparison techniques, quantitative isomer distributions as function temperature determined without quenching. The addition one atom hydrogen does not visibly increase `mobility' finite nickel substrate.
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