A modified Stillinger–Weber empirical potential for boron nitride
| Autor: | Won Ha Moon, Ho Jung Hwang |
|---|---|
| Rok vydání: | 2005 |
| Předmět: |
Specific heat
Chemistry Physics::Optics General Physics and Astronomy Thermodynamics Surfaces and Interfaces General Chemistry Condensed Matter Physics Thermal expansion Surfaces Coatings and Films Condensed Matter::Materials Science Molecular dynamics chemistry.chemical_compound Boron nitride Condensed Matter::Superconductivity Physics::Atomic and Molecular Clusters Physical chemistry Constant (mathematics) |
| Zdroj: | Applied Surface Science. 239:376-380 |
| ISSN: | 0169-4332 |
| DOI: | 10.1016/j.apsusc.2004.05.284 |
| Popis: | We have proposed the parameters of the Stillinger–Weber potential for boron nitride. The structural properties and the elastic constant of boron nitride have been investigated using molecular-dynamics simulation. The thermodynamics properties, such as thermal expansion coefficient and specific heat, have also been calculated. These results are in agreement with other theoretical data and experiments. This shows the availability of this potential to investigate physical properties of boron nitride. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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