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Solid-liquid interfacial free energy

✍ Scribed by L. Gránásy; M. Tegze; A. Ludwig

Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
255 KB
Volume
133
Category
Article
ISSN
0921-5093

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✦ Synopsis

The solid-liquid interfacial free energy has been estimated by a broken-bond model modified to take the entropy loss of the liquid in contact with the crystal into account. The predictions for f.c.c., h.c.p., b.c.c., diamond and s.c. structures are compared with experimental data from supercooling and dihedral angle measurements.

📜 SIMILAR VOLUMES

Interfacial Excess Free Energies of Soli
Interfacial Excess Free Energies of Solid–Liquid Interfaces by Molecular Dynamics Simulation and Thermodynamic Integration
✍ 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