Equation of state for shock-compressed porous molybdenum from first-principles mean-field potential calculations
msra(2007)
Abstract
The Hugoniot curves for shock-compressed molybdenum with initial porosities
of 1.0, 1.26, 1.83, and 2.31 are theoretically investigated. The method of
calculations combines the first-principles treatment for zero- and
finite-temperature electronic contribution and the mean-field-potential
approach for the ion-thermal contribution to the total free energy. Our
calculated results reproduce the Hugoniot properties of porous molybdenum quite
well. At low porosity, in particular, the calculations show a complete
agreement with the experimental measurements over the full range of data. For
the two large porosity values of 1.83 and 2.31, our results are well in accord
with the experimental data points up to the particle velocity of 3.5 km/s, and
tend to overestimate the shock-wave velocity and Hugoniot pressure when further
increasing the particle velocity. In addition, the temperature along the
principal Hugoniot is also extensively investigated for porous molybdenum.
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Key words
materials science,mean field,statistical mechanics,first principle,equation of state,free energy,shock wave
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