File Download
There are no files associated with this item.
Links for fulltext
(May Require Subscription)
- Publisher Website: 10.1080/01418619308224759
- Scopus: eid_2-s2.0-21144461887
- WOS: WOS:A1993LF72300004
- Find via
Supplementary
- Citations:
- Appears in Collections:
Article: A modified-local-harmonic model for solids
| Title | A modified-local-harmonic model for solids |
|---|---|
| Authors | |
| Issue Date | 1993 |
| Citation | Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties, 1993, v. 67, n. 5, p. 1081-1094 How to Cite? |
| Abstract | We present a modified-local-harmonic model for solids that permits quick and accurate calculations of the finite-temperature properties of perfect crystals and defects. The results obtained with this simple modification are more accurate than those obtained by using the local harmonic approximation, and this approach still retains the simplicity inherent in the local-harmonic approximation. The utility of this new approach is demonstrated by a calculation of the free energy of a perfect solid and the formation free energy of an isolated point defect and a comparison of the results with those obtained by using the local-harmonic and quasiharmonic approximations. Finally, we relate both the local-harmonic and the modified-local-harmonic models to a model based on a local vibrational density of states that has been proposed by Sutton. © 1993 Taylor & Francis Group, LLC. |
| Persistent Identifier | http://hdl.handle.net/10722/303243 |
| ISSN | |
| ISI Accession Number ID |
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Rickman, J. M. | - |
| dc.contributor.author | Srolovitz, D. J. | - |
| dc.date.accessioned | 2021-09-15T08:24:55Z | - |
| dc.date.available | 2021-09-15T08:24:55Z | - |
| dc.date.issued | 1993 | - |
| dc.identifier.citation | Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties, 1993, v. 67, n. 5, p. 1081-1094 | - |
| dc.identifier.issn | 0141-8610 | - |
| dc.identifier.uri | http://hdl.handle.net/10722/303243 | - |
| dc.description.abstract | We present a modified-local-harmonic model for solids that permits quick and accurate calculations of the finite-temperature properties of perfect crystals and defects. The results obtained with this simple modification are more accurate than those obtained by using the local harmonic approximation, and this approach still retains the simplicity inherent in the local-harmonic approximation. The utility of this new approach is demonstrated by a calculation of the free energy of a perfect solid and the formation free energy of an isolated point defect and a comparison of the results with those obtained by using the local-harmonic and quasiharmonic approximations. Finally, we relate both the local-harmonic and the modified-local-harmonic models to a model based on a local vibrational density of states that has been proposed by Sutton. © 1993 Taylor & Francis Group, LLC. | - |
| dc.language | eng | - |
| dc.relation.ispartof | Philosophical Magazine A: Physics of Condensed Matter, Structure, Defects and Mechanical Properties | - |
| dc.title | A modified-local-harmonic model for solids | - |
| dc.type | Article | - |
| dc.description.nature | link_to_subscribed_fulltext | - |
| dc.identifier.doi | 10.1080/01418619308224759 | - |
| dc.identifier.scopus | eid_2-s2.0-21144461887 | - |
| dc.identifier.volume | 67 | - |
| dc.identifier.issue | 5 | - |
| dc.identifier.spage | 1081 | - |
| dc.identifier.epage | 1094 | - |
| dc.identifier.isi | WOS:A1993LF72300004 | - |