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Temperature-induced configurational excitations for predicting thermodynamic and mechanical properties of alloys
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UNSPECIFIED (2000) Temperature-induced configurational excitations for predicting thermodynamic and mechanical properties of alloys. PHYSICAL REVIEW B, 62 (18). pp. 11917-11920. ISSN 0163-1829
Full text not available from this repository.Abstract
We show that a structural energy difference, DeltaE, must include explicit symmetry-breaking changes of the electronic structure due to temperature-induced configurational excitations, and why DeltaE at T=0 K is not necessarily relevant to thermodynamic and mechanical modeling. In Ni3V, we calculate a tenfold decrease of DeltaE between D0(22) and L1(2) structures from T=0 K to states of order relevant to experiment. DeltaE calculated directly from states with short-range order (8 meV) or with low partial order (7-12 meV) agree with high-T experiment (10 meV).
| Item Type: | Journal Article |
|---|---|
| Subjects: | Q Science > QC Physics |
| Journal or Publication Title: | PHYSICAL REVIEW B |
| Publisher: | AMERICAN PHYSICAL SOC |
| ISSN: | 0163-1829 |
| Date: | 1 November 2000 |
| Volume: | 62 |
| Number: | 18 |
| Number of Pages: | 4 |
| Page Range: | pp. 11917-11920 |
| Publication Status: | Published |
| URI: | http://wrap.warwick.ac.uk/id/eprint/12805 |
Data sourced from Thomson Reuters' Web of Knowledge
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