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First-Principles Molecular Dynamics Calculations of the Equation of State for Tantalum
The equation of state of tantalum (Ta) has been investigated to 100 GPa and 3,000 K using the first-principles molecular dynamics method. A large volume dependence of the thermal pressure of Ta was revealed from the analysis of our data. A significant temperature dependence of the calculated effecti...
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Formato: | Texto |
Lenguaje: | English |
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Molecular Diversity Preservation International (MDPI)
2009
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2790112/ https://www.ncbi.nlm.nih.gov/pubmed/20057949 http://dx.doi.org/10.3390/ijms10104342 |