SEARCH

SEARCH BY CITATION

Keywords:

  • Isentropic compression;
  • deuterium;
  • ab initio molecular dynamics

Abstract

In this work we present our calculations of the compression isentrope of deuterium. We use an ab initio molecular dynamics approach to compute pressure and internal energy of dense deuterium in the range of temperatures 293–25000 K and densities 0.9–4.3 g/cm3. We then restore the isentrope and compare the results with experimental data and other theories. The position of the calculated isentrope slightly depends on the initial point and agrees with the low-pressure part and the highest-pressure point of the measurements. However, we do not observe the density jump registered experimentally at P ≈ 130 GPa (© 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim)