First-principles calculations of elastic, phonon and thermodynamic properties of W
| Autor: | Cheng-An Liu, Chang-Ying Yuan, Fen Luo, Xiu-Lu Zhang, Ling-Cang Cai, Zhi-Cheng Guo |
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| Rok vydání: | 2016 |
| Předmět: |
010302 applied physics
Materials science Condensed matter physics Phonon Biophysics Thermodynamics 02 engineering and technology 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences High pressure 0103 physical sciences Thermal equation Density functional theory Physical and Theoretical Chemistry 0210 nano-technology Molecular Biology |
| Zdroj: | Molecular Physics. 114:3430-3436 |
| ISSN: | 1362-3028 0026-8976 |
| DOI: | 10.1080/00268976.2016.1234653 |
| Popis: | We investigate the elastic properties, lattice dynamical, thermal equation of state and thermodynamic properties of bcc phase W under high pressure using density functional theory. The calculated h... |
| Databáze: | OpenAIRE |
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