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Calculation of Melting Curve of Aluminum under Pressure through Molecular Dynamics Simulations

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Abstract:

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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Advanced Design Technology, ICAMMP 2011 View Preview

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Periodical:

Advanced Materials Research (Volume 421)

Pages:

151-155

DOI:

https://doi.org/10.4028/www.scientific.net/AMR.421.151

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Online since:

December 2011

Authors:

Jin Xi Li, Zhi Qiang Han

Keywords:

Aluminum (Al), Melting Curve, Molecular Dynamics (MD) Simulation, Pressure

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© 2012 Trans Tech Publications Ltd. All Rights Reserved

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