Abstract
We have performed simulations of the principal deuterium Hugoniot curve using coupled electron-ion Monte Carlo calculations. Using highly accurate quantum Monte Carlo methods for the electrons, we study the region of maximum compression along the Hugoniot, where the system undergoes a continuous transition from a molecular fluid to a monatomic fluid. We include all relevant physical corrections so that a direct comparison to experiment can be made. Around 50 GPa we find a maximum compression of 4.85. This compression is approximately 5.5% higher than previous theoretical predictions and 15% higher than the most accurate experimental data. Thus first-principles simulations encompassing the most advanced techniques are in disagreement with the results of the best experiments.
Original language | English (US) |
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Article number | 045301 |
Journal | Physical review letters |
Volume | 115 |
Issue number | 4 |
DOIs | |
State | Published - Jul 22 2015 |
ASJC Scopus subject areas
- General Physics and Astronomy