Theory for Isentropic Compression of Ta

ORAL

Abstract

In high-pressure isentropic compression experiments (ICE), the pressure is dominated by the cold curve. In order to obtain an accurate semi-empirical cold curve for Ta, we calculate the thermal pressure from {\em ab initio} phonon and electronic excitation spectra. The cold curve is then inferred from ultrasonic and shock data to pressures in the 2-3 Mbar range, and extended to higher pressures using electronic structure calculations. We predict the principal isentrope to 5 Mbar on this basis. We also make estimates of the contribution of shear strength, both directly and via dissipation of plastic work, in Mbar-range ICE.

Authors

  • C.W. Greeff

    • Los Alamos National Laboratory
  • Sven Rudin

    • Los Alamos National Laboratory
  • Scott Crockett

    • Los Alamos National Laboratory
  • John Wills

    • Los Alamos National Laboratory