Technique of Heat Capacity Calculation of Solid Body Lattice Using Interatomic Potential
Solid body lattice heat capacity calculation technique is proposed. Lattice energy is determined using the one-atom energy, which is calculated as a sum of potential energies of atom interactions with its neighbors (more than 30 coordination spheres are taken into account). Considering heat expansio...
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| Hlavní autor: | |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Sumy State University
2012-06-01
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| Edice: | Журнал нано- та електронної фізики |
| Témata: | |
| On-line přístup: | http://jnep.sumdu.edu.ua/download/numbers/2012/2/articles/jnep_2012_V4_02035.pdf |
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