Abstract
Pair distribution functions and constant-volume heat capacities ofliquid copper, silver and nickel have been calculated by molecular dynamicssimulations with four different versions of the embedded-atom method (EAM)model, namely, the versions of Johnson, Mei, Cai and Pohlong.The simulated structural properties with the four potential modelsshow reasonable agreement with experiments and have little difference witheach other, while the calculated heat capacities with the different EAM versionsshow remarkable discrepancies. Detailed analyses of the energy of the liquidmetallic system show that, to predict successfully the heat capacity,an EAM model should match the state equation first proposed by Rose.
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