Published August 1, 2010
| Version v1
Journal article
Comment on 'Increase in specific heat and possible hindered rotation of interstitial C2 molecules in neutron-irradiated graphite'
Creators
- 1. Institute des Materiaux Jean Rouxel, CNRS-Universite de Nantes, 2 rue de la Houssiniere, BP 32229, F-44322 Nantes (France)
- 2. Nanochemistry Research Institute, Curtin University of Technology, GPO Box U1987, Perth, Western Australia 6845 (Australia)
- 3. Department of Chemistry and Biochemistry, University of Sussex, Falmer, Brighton BN1 9QJ (United Kingdom)
Description
Iwata and Watanabe's model for the observed low-temperature specific heat of neutron-irradiated graphite [T. Iwata and M. Watanabe, Phys. Rev. B 81, 014105 (2010)] assumes that self-interstitial atoms exist as clusters of nearly free C2 molecules. We suggest that their hypothesis is not supported by other experiments and theory, including our own calculations. Not only is it inconsistent with the long-known kinetics of interstitial prismatic dislocation loop formation, density-functional theory shows that the di-interstitial is covalently bonded to the host crystal. In such calculations no prior assumptions are made about the nature of the bonding, covalent or otherwise.
Additional details
Identifiers
Publishing Information
- Journal Title
- Physical Review. B, Condensed Matter and Materials Physics
- Journal Volume
- 82
- Journal Issue
- 5
- Journal Page Range
- p. 056101-056101.3
- ISSN
- 1098-0121
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 42015782
- Subject category
- S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
- Descriptors DEI
- ATOMS; CARBON; CRYSTALS; DENSITY FUNCTIONAL METHOD; DISLOCATIONS; GRAPHITE; INTERSTITIALS; MOLECULAR CLUSTERS; MOLECULES; NEUTRONS; PHYSICAL RADIATION EFFECTS; SIMULATION; SPECIFIC HEAT
- Descriptors DEC
- BARYONS; CALCULATION METHODS; CARBON; CRYSTAL DEFECTS; CRYSTAL STRUCTURE; ELEMENTARY PARTICLES; ELEMENTS; FERMIONS; HADRONS; LINE DEFECTS; MINERALS; NONMETALS; NUCLEONS; PHYSICAL PROPERTIES; POINT DEFECTS; RADIATION EFFECTS; THERMODYNAMIC PROPERTIES; VARIATIONAL METHODS
Optional Information
- Notes
- (c) 2010 The American Physical Society