Abstract
The Andersen-Parrinello-Rahman constant-pressure molecular-dynamics technique has been generalized to study molecular crystals. The method, which appears to have wide applicability, is used to study structural transformations in solid nitrogen at high pressures.
Keywords
Solid nitrogenMolecular dynamicsNitrogenMaterials scienceMolecular nitrogenThermodynamicsChemical physicsHigh pressureConstant (computer programming)Physical chemistryStatistical physicsComputational chemistryChemistryPhysicsComputer scienceOrganic chemistry
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Publication Info
- Year
- 1983
- Type
- article
- Volume
- 50
- Issue
- 16
- Pages
- 1207-1210
- Citations
- 112
- Access
- Closed
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Cite This
Shūichi Nosé,
Michael L. Klein
(1983).
Structural Transformations in Solid Nitrogen at High Pressure.
Physical Review Letters
, 50
(16)
, 1207-1210.
https://doi.org/10.1103/physrevlett.50.1207
Identifiers
- DOI
- 10.1103/physrevlett.50.1207