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Molecular dynamics simulation of liquid-solid transition. Microdynamics of condensation nucleus growth

✍ Scribed by B. Borštnik; A. Ažman

Publisher
Elsevier Science
Year
1972
Tongue
English
Weight
178 KB
Volume
14
Category
Article
ISSN
0009-2614

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📜 SIMILAR VOLUMES

Molecular dynamics simulation of the liq
Molecular dynamics simulation of the liquid-solid transition. The dynamical properties of the liquid-solid interface
✍ B. Borštnik; A. Ažman 📂 Article 📅 1975 🏛 Elsevier Science 🌐 English ⚖ 237 KB

A numerical rxlculation based on the molecular dynamics method is described and the dynamical chaacteristics oi the interracial layer between the liquid and solid phases are studied. Special initial and boundary conditions have been used. The chmxcterirtic vibrations and the anisotropy

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