Quantum molecular dynamics simulations of thermophysical properties of fluid ethane

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Zhang, Yujuan; Wang, Cong; Zheng, Fawei; Zhang, Ping;
(2012)
  • Related identifiers: doi: 10.1103/PhysRevE.86.061111
  • Subject: Condensed Matter - Statistical Mechanics | Physics - Plasma Physics | Condensed Matter - Materials Science
    arxiv: Physics::Chemical Physics | Astrophysics::Earth and Planetary Astrophysics

We have performed first-principles molecular-dynamics simulations based on density-functional theory to study the thermophysical properties of ethane under extreme conditions. We present new results for the equation of state of fluid ethane in the warm dense region. The... View more
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