Journal
PHYSICAL REVIEW LETTERS
Volume 102, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.015701
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Funding
- NSERC
- ACEnet
- IRM
- LLNL
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We report results of first-principles molecular dynamics simulations, which predict a first-order phase transition from molecular to polymeric liquid nitrogen. The liquid-liquid phase boundary is near 88 GPa along the 2000 K isotherm and has a critical point between 4000 and 5000 K and 50 to 75 GPa. At higher temperatures, molecular nitrogen undergoes temperature-driven dissociation to an atomic liquid. The nature of the liquid-liquid transition and the structure of the new polymeric phase are characterized, and ways to experimentally confirm our findings are proposed.
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