High pressure melting of MgO
- 1. Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, PO Box 919-102, China Academy of Engineering Physics, Mianyang 621900 (China): Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China): Department of Physics, Lanzhou Teachers College, Lanzhou 730070 (China)
- 2. School of Mathematics and Physics, Lanzhou Jiaotong University, Lanzhou 730070 (China)
- 3. Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, PO Box 919-102, China Academy of Engineering Physics, Mianyang 621900 (China)
- 4. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065 (China)
Description
The high pressure melting curve of MgO is simulated by using the constant temperature and pressure molecular dynamics method combined with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction at high pressure and high temperature. It is shown that the simulated molar volume of MgO is very successful in reproducing accurately the recent experimental data over wide pressure ranges. The pressure dependence of the simulated high pressure melting temperature of MgO is in good agreement with the latest theoretical data. The simulated high pressure melting curve of MgO up to lower mantle pressure, being rather steep at lower pressures, rapidly flattens on increasing pressure. At the core-mantle boundary pressure of 135 GPa MgO melts at 7500 K, which is significantly higher than the extrapolations of the currently available experimental data derived by Zerr and Boehler
Additional details
Identifiers
- DOI
- 10.1016/j.physleta.2005.12.065;
- PII
- S0375-9601(05)01946-8;
Publishing Information
- Journal Title
- Physics Letters. A
- Journal Volume
- 353
- Journal Issue
- 2-3
- Journal Page Range
- p. 221-225
- ISSN
- 0375-9601
- CODEN
- PYLAAG
INIS
- Country of Publication
- Netherlands
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 37068769
- Subject category
- S36: MATERIALS SCIENCE;
- Descriptors DEI
- EXTRAPOLATION; MAGNESIUM OXIDES; MELTING POINTS; MOLECULAR DYNAMICS METHOD; PRESSURE DEPENDENCE; PRESSURE RANGE GIGA PA; TEMPERATURE DEPENDENCE; TEMPERATURE RANGE OVER 4000 K
- Descriptors DEC
- ALKALINE EARTH METAL COMPOUNDS; CALCULATION METHODS; CHALCOGENIDES; MAGNESIUM COMPOUNDS; MATHEMATICAL SOLUTIONS; NUMERICAL SOLUTION; OXIDES; OXYGEN COMPOUNDS; PHYSICAL PROPERTIES; PRESSURE RANGE; TEMPERATURE RANGE; THERMODYNAMIC PROPERTIES; TRANSITION TEMPERATURE
Optional Information
- Copyright
- Copyright (c) 2005 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.