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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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Detalles Bibliográficos
Autor principal: Ono, Shigeaki
Formato: Texto
Lenguaje:English
Publicado: Molecular Diversity Preservation International (MDPI) 2009
Materias:
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