The miscibility of CuxAg1−xI using a Tersoff potential
| Autor: | Amel Laref, H. Aourag, Ali Zaoui, M. Certier, W. Sekkal |
|---|---|
| Rok vydání: | 2000 |
| Předmět: |
Materials science
Monte Carlo method Thermodynamics Condensed Matter Physics Radial distribution function Miscibility Molecular dynamics symbols.namesake symbols Physical chemistry General Materials Science Electrical and Electronic Engineering Cohesive energy Simulation methods Debye model Solid solution |
| Zdroj: | Superlattices and Microstructures. 28:55-66 |
| ISSN: | 0749-6036 |
| DOI: | 10.1006/spmi.1999.0782 |
| Popis: | Simulation methods have been used to study the miscibility ofCuxAg1 − xI based on a Tersoff potential. Monte Carlo calculations show that CuxAg1 − xI is a complete solid solution. This result agrees well with experiments using NMR and X-ray diffractions methods. Structural, elastic and thermodynamic properties are also predicted at 0.25, 0.5 and 0.75 using molecular dynamics simulations. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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