Constant pressure reactive molecular dynamics simulations of phase transitions under pressure: The graphite to diamond conversion revisited
- 1 May 2004
- journal article
- Published by Springer Nature in Zeitschrift für Physik B Condensed Matter
- Vol. 39 (1) , 41-47
- https://doi.org/10.1140/epjb/e2004-00168-y
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Molecules under extreme conditions: Chemical reactions at high pressurePhysical Chemistry Chemical Physics, 2003
- Predicting Crystal Structures: The Parrinello-Rahman Method RevisitedPhysical Review Letters, 2003
- Escaping free-energy minimaProceedings of the National Academy of Sciences, 2002
- "Debye-Scherrer Ellipses" from 3D Fullerene Polymers: An Anisotropic Pressure Memory SignatureScience, 1999
- Elementary processes in pressure-induced polymerization of C60Chemical Physics Letters, 1998
- Solid-State Polymerization of Acetylene under Pressure:Ab InitioSimulationPhysical Review Letters, 1997
- New Phases of C 60 Synthesized at High PressureScience, 1994
- Structural Phase Transformations via First-Principles SimulationEurophysics Letters, 1994
- Interaction potential for carbon (C60) moleculesThe Journal of Physical Chemistry, 1991
- Crystal Structure and Pair Potentials: A Molecular-Dynamics StudyPhysical Review Letters, 1980