Calculation of melting curve of aluminum under pressure through molecular dynamics simulations
JX Li and ZQ Han, ADVANCED DESIGN TECHNOLOGY, 421, 151-155 (2012).
The melting curve is an important thermodynamic property in studies of solid-liquid phase transitions. It can be calculated via molecular dynamics simulations. We simulated the melting process of pure Al with three methods, the heat-until-it-melts (HUM) method, the two-phase method and the hysteresis method. The results calculated via HUM method is approximately 20% higher than experiment data while the results calculated via two-phase method and hysteresis method are in good agreement with experiment data.
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