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• W2027156911 startingPage "134101" @default.
• W2027156911 abstract "We extend the recently proposed Z method of estimating the melting temperature from a complete liquid and propose a modified Z method to calculate the melting temperature from a solid-liquid coexistence state. With the simulation box of rectangular parallelepiped, an initial structure of perfect lattice can run in the microcanonical ensemble to achieve steady solid-liquid coexistence state. The melting pressure and temperature are estimated from the coexistence state. For the small system with 1280 atoms, the simulation results show that the melting curve of copper has a good agreement with the experiments and is identical in accuracy with the results of the two-phase coexistence method with 24 000 atoms in the literature. Moreover, the method is conceptually simpler than the two-phase coexistence method." @default.
• W2027156911 created "2016-06-24" @default.
• W2027156911 creator A5005064985 @default.
• W2027156911 creator A5025740357 @default.
• W2027156911 creator A5038368084 @default.
• W2027156911 creator A5061717675 @default.
• W2027156911 date "2013-04-07" @default.
• W2027156911 modified "2023-09-26" @default.
• W2027156911 title "Modified Z method to calculate melting curve by molecular dynamics" @default.
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• W2027156911 doi "https://doi.org/10.1063/1.4798225" @default.
• W2027156911 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23574202" @default.
• W2027156911 hasPublicationYear "2013" @default.
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