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Molecular dynamics study of melting curve, entropy of fusion and solid–liquid interfacial energy of cobalt under pressure

✍ Scribed by Zhang, Wen-jin; Peng, Yu-feng; Liu, Zhong-li

Book ID
121474512
Publisher
Elsevier Science
Year
2014
Tongue
English
Weight
699 KB
Volume
440
Category
Article
ISSN
0921-4526

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✍ Frédéric Leroy; Daniel J. V. A. dos Santos; Florian Müller-Plathe 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 244 KB

## Abstract A method to compute the interfacial excess free energy of systems where a liquid phase is interacting with a solid phase is presented. The calculations are carried out by means of molecular dynamics simulations. The algorithm is based on a thermodynamic integration scheme that reversibl