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- Publisher Website: 10.1016/j.jnoncrysol.2007.05.116
- Scopus: eid_2-s2.0-34548567302
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Article: A comparison of crystal-melt interfacial free energies using different Al potentials
| Title | A comparison of crystal-melt interfacial free energies using different Al potentials |
|---|---|
| Authors | |
| Keywords | Nucleation Liquid alloys and liquid metals Fluctuations Crystal growth Neutron diffraction/scattering Molecular dynamics Electrical and electronic properties Modeling and simulation Surfaces and interfaces |
| Issue Date | 2007 |
| Citation | Journal of Non-Crystalline Solids, 2007, v. 353, n. 32-40, p. 3565-3569 How to Cite? |
| Abstract | We have calculated the crystal-melt interfacial stiffnesses using simulations with three different interatomic potentials for Al, and from these derived the anisotropic crystal-melt interfacial free energies. We find that there is a strong dependence of the results on the potential, and that this dependence cannot be explained by the usual Turnbull relation between the interfacial free energy and the latent heat. The potentials which produce liquid structures in closer agreement with experiments give free energies in good agreement with nucleation data. © 2007 Elsevier B.V. All rights reserved. |
| Persistent Identifier | http://hdl.handle.net/10722/303314 |
| ISSN | 2023 Impact Factor: 3.2 2023 SCImago Journal Rankings: 0.655 |
| ISI Accession Number ID |
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morris, James R. | - |
| dc.contributor.author | Mendelev, M. I. | - |
| dc.contributor.author | Srolovitz, D. J. | - |
| dc.date.accessioned | 2021-09-15T08:25:03Z | - |
| dc.date.available | 2021-09-15T08:25:03Z | - |
| dc.date.issued | 2007 | - |
| dc.identifier.citation | Journal of Non-Crystalline Solids, 2007, v. 353, n. 32-40, p. 3565-3569 | - |
| dc.identifier.issn | 0022-3093 | - |
| dc.identifier.uri | http://hdl.handle.net/10722/303314 | - |
| dc.description.abstract | We have calculated the crystal-melt interfacial stiffnesses using simulations with three different interatomic potentials for Al, and from these derived the anisotropic crystal-melt interfacial free energies. We find that there is a strong dependence of the results on the potential, and that this dependence cannot be explained by the usual Turnbull relation between the interfacial free energy and the latent heat. The potentials which produce liquid structures in closer agreement with experiments give free energies in good agreement with nucleation data. © 2007 Elsevier B.V. All rights reserved. | - |
| dc.language | eng | - |
| dc.relation.ispartof | Journal of Non-Crystalline Solids | - |
| dc.subject | Nucleation | - |
| dc.subject | Liquid alloys and liquid metals | - |
| dc.subject | Fluctuations | - |
| dc.subject | Crystal growth | - |
| dc.subject | Neutron diffraction/scattering | - |
| dc.subject | Molecular dynamics | - |
| dc.subject | Electrical and electronic properties | - |
| dc.subject | Modeling and simulation | - |
| dc.subject | Surfaces and interfaces | - |
| dc.title | A comparison of crystal-melt interfacial free energies using different Al potentials | - |
| dc.type | Article | - |
| dc.description.nature | link_to_subscribed_fulltext | - |
| dc.identifier.doi | 10.1016/j.jnoncrysol.2007.05.116 | - |
| dc.identifier.scopus | eid_2-s2.0-34548567302 | - |
| dc.identifier.volume | 353 | - |
| dc.identifier.issue | 32-40 | - |
| dc.identifier.spage | 3565 | - |
| dc.identifier.epage | 3569 | - |
| dc.identifier.isi | WOS:000250235200119 | - |