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- W2031569250 abstract "In the framework of density functional theory, static properties and phonon spectra of beryllium have been calculated under high compression (for pressures up to 4 Mbar) for two solid phases: hexagonal compact (hcp) and body‐centered cubic (bcc). The melting curve and some isotherms in the liquid phase have been calculated using quantum molecular dynamics. The coupling of these theoretical data to a quasi‐harmonic approach (phonon moments) allows us to suggest a new theoretical phase diagram and to build a multiphase equation of state (EOS) valid in a large range of pressure and temperature. The resulting Hugoniot curves as well as the evolution of the longitudinal sound speed with both pressure and temperature are in good agreement with available experimental data." @default.
- W2031569250 created "2016-06-24" @default.
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- W2031569250 date "2008-01-01" @default.
- W2031569250 modified "2023-10-18" @default.
- W2031569250 title "MULTIPHASE EQUATION OF STATE AND STRENGTH PROPERTIES OF BERYLLIUM FROM AB INITIO AND QUANTUM MOLECULAR DYNAMICS CALCULATIONS." @default.
- W2031569250 doi "https://doi.org/10.1063/1.2833295" @default.
- W2031569250 hasPublicationYear "2008" @default.
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