Volume 109, Number 3, February 2015
|Number of page(s)||5|
|Section||Condensed Matter: Structural, Mechanical and Thermal Properties|
|Published online||19 February 2015|
A new evidence of first-order phase transition for hydrogen at 3000 K
1 Department of Physics, Southwest University - Chongqing 400715, China
2 Institute of High Pressure Physics, Southwest Jiaotong University - Chengdu 610031, China
3 Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, China Academy of Engineering Physics - Mianyang 621900, China
Received: 26 October 2014
Accepted: 21 January 2015
The molecular-dynamics simulations based on density functional theory have been explored to study the properties of warm dense hydrogen in the density range and temperature between 1000 and 3000 K. We find clear evidence of pressure discontinuity at the isotherm of 3000 K by large-scale simulations, which also confirm the first-order nature of this transition. It indicates that the molecular liquid phase is unexpectedly stable, and the temperature of transition towards an atomic liquid phase is much higher than previously predicted. A new transition line has been located in the phase diagram.
PACS: 64.70.Ja – Liquid-liquid transitions / 64.10.+h – General theory of equations of state and phase equilibria / 71.30.+h – Metal-insulator transitions and other electronic transitions
© EPLA, 2015
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