Published 1995
| Version v1
Report
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Theoretical studies of zirconia and defects in zirconia. Final report
Description
Supported by this grant the author has performed total energy electronic structure calculations for cubic, tetragonal, and monoclinic zirconia. The results of these calculations agree with the observed ordering of structures in the phase diagram. He has developed model potentials based on the total energy results. Molecular dynamics calculations using these model potentials give a good description of the phase transitions in and the thermal properties of zirconia
Availability note (English)
MF available from INIS under the Report Number; Also available from OSTI as DE96002409; NTIS; US Govt. Printing Office Dep.Files
27030978.pdf
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Additional details
Publishing Information
- Imprint Pagination
- 15 p.
- Report number
- DOE/ER/45352--6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 27030978
- Subject category
- S36: MATERIALS SCIENCE; S36: MATERIALS SCIENCE;
- Resource subtype / Literary indicator
- Progress Report
- Descriptors DEI
- CRYSTAL-PHASE TRANSFORMATIONS; CUBIC LATTICES; ELECTRONIC STRUCTURE; MONOCLINIC LATTICES; PROGRESS REPORT; RESEARCH PROGRAMS; TETRAGONAL LATTICES; THERMODYNAMIC PROPERTIES; ZIRCONIUM OXIDES
- Descriptors DEC
- CHALCOGENIDES; CRYSTAL LATTICES; CRYSTAL STRUCTURE; DOCUMENT TYPES; OXIDES; OXYGEN COMPOUNDS; PHASE TRANSFORMATIONS; PHYSICAL PROPERTIES; TRANSITION ELEMENT COMPOUNDS; ZIRCONIUM COMPOUNDS
Optional Information
- Contract/Grant/Project number
- Contract FG06-88ER45352
- Funding organization
- USDOE, Washington, DC (United States).