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- Publisher Website: 10.1088/0965-0393/3/5/005
- Scopus: eid_2-s2.0-0029373695
- WOS: WOS:A1995RW45600005
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Article: Interatomic potentials for elastically isotropic crystals
Title | Interatomic potentials for elastically isotropic crystals |
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Authors | |
Issue Date | 1995 |
Citation | Modelling and Simulation in Materials Science and Engineering, 1995, v. 3, n. 5, p. 643-653 How to Cite? |
Abstract | We introduce a simple approach to fitting interatomic potentials to represent elastically isotropic solids, in order to make direct comparisons with the predictions of isotropic linear elasticity. The potentials are of the Finnis-Sinclair type and are parametrized to fit Au and Ag. Under uniaxial loading, it was shown that the solids modelled employing the ‘elastically isotropic’ potentials remain elastically isotropic for strains of 0.5% or less. The properties of the (001), (011) and (111) surfaces were determined and compared with those of elastically anisotropic Au and Ag. It was also found that the surface energy anisotropy is lower in solids modelled employing ‘elastically isotropic1 potentials than in those represented by elastically anisotropic potentials. © 1995 IOP Publishing Ltd. |
Persistent Identifier | http://hdl.handle.net/10722/303137 |
ISSN | 2023 Impact Factor: 1.9 2023 SCImago Journal Rankings: 0.501 |
ISI Accession Number ID |
DC Field | Value | Language |
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dc.contributor.author | Najafabadi, Reza | - |
dc.contributor.author | Srolovitz, David J. | - |
dc.date.accessioned | 2021-09-15T08:24:42Z | - |
dc.date.available | 2021-09-15T08:24:42Z | - |
dc.date.issued | 1995 | - |
dc.identifier.citation | Modelling and Simulation in Materials Science and Engineering, 1995, v. 3, n. 5, p. 643-653 | - |
dc.identifier.issn | 0965-0393 | - |
dc.identifier.uri | http://hdl.handle.net/10722/303137 | - |
dc.description.abstract | We introduce a simple approach to fitting interatomic potentials to represent elastically isotropic solids, in order to make direct comparisons with the predictions of isotropic linear elasticity. The potentials are of the Finnis-Sinclair type and are parametrized to fit Au and Ag. Under uniaxial loading, it was shown that the solids modelled employing the ‘elastically isotropic’ potentials remain elastically isotropic for strains of 0.5% or less. The properties of the (001), (011) and (111) surfaces were determined and compared with those of elastically anisotropic Au and Ag. It was also found that the surface energy anisotropy is lower in solids modelled employing ‘elastically isotropic1 potentials than in those represented by elastically anisotropic potentials. © 1995 IOP Publishing Ltd. | - |
dc.language | eng | - |
dc.relation.ispartof | Modelling and Simulation in Materials Science and Engineering | - |
dc.title | Interatomic potentials for elastically isotropic crystals | - |
dc.type | Article | - |
dc.description.nature | link_to_subscribed_fulltext | - |
dc.identifier.doi | 10.1088/0965-0393/3/5/005 | - |
dc.identifier.scopus | eid_2-s2.0-0029373695 | - |
dc.identifier.volume | 3 | - |
dc.identifier.issue | 5 | - |
dc.identifier.spage | 643 | - |
dc.identifier.epage | 653 | - |
dc.identifier.eissn | 1361-651X | - |
dc.identifier.isi | WOS:A1995RW45600005 | - |