Melting of Lithium Hydride under Pressure
Authors:
- 22 October 2003
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 91 (17) , 175502
Abstract
We have computed the melting line of lithium hydride up to 200 GPa using the two-phase simulation technique coupled with first-principles molecular dynamics. Our predicted melting temperature at high pressures varies slowly with compression, ranging from 2000 to 2450 K at 50–200 GPa pressures. The compressed fluid close to the melting line retains the ionic character of the low pressure molten state, while at higher temperatures dynamical hydrogen clustering processes are observed, which are accompanied by changes in the electronic structure.Keywords
This publication has 24 references indexed in Scilit:
- Raman Spectroscopy of Hot Dense HydrogenPhysical Review Letters, 2003
- Use of a Wave Reverberation Technique to Infer the Density Compression of Shocked Liquid Deuterium to 75 GPaPhysical Review Letters, 2003
- Ab initiomelting curve of the fcc phase of aluminumPhysical Review B, 2002
- Optical studies of solid hydrogen to 320 GPa and evidence for black hydrogenNature, 2002
- Phase Diagram of Carbon Dioxide: Evidence for a New Associated PhasePhysical Review Letters, 2001
- Theoretical search for the CrB-type high-pressure phase in LiH, NaH, KH and RbHPhysica B: Condensed Matter, 1999
- Equation of state ofandfrom x-ray diffraction to 94 GPaPhysical Review B, 1998
- Ab InitioMolecular Dynamics Study of First-Order Phase Transitions: Melting of SiliconPhysical Review Letters, 1995
- First-principles calculation of the shock-wave equation of state of isotopic lithium hydridesPhysical Review B, 1989
- High-pressure studies of NaH to 54 GPaPhysical Review B, 1987