A molecular dynamics study of the thermodynamic properties of liquid Ni using the Voter and Chen version of the embedded atom model

摘要

Using the Voter and Chen version of the embedded atom model, we performed molecular dynamics simulations to compute the thermodynamic properties of liquid Ni up to 3000 K, i.e., well above the melting temperature. Our results show good general agreement with available experimental data. Comparison between simulated and experimental heat capacities requires subtraction from the latter of the electronic contribution, which for liquid transition metals is usually an order of magnitude greater than for simple metals. (C) 1998 American Institute of Physics. [References: 32]