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https://doi.org/10.1103/PhysRevB.50.17507
DC Field | Value | |
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dc.title | Molecular-dynamics study of surface relaxation, stress, and disordering of Pb(110) | |
dc.contributor.author | Toh, C.P. | |
dc.contributor.author | Ong, C.K. | |
dc.contributor.author | Ercolessi, F. | |
dc.date.accessioned | 2014-10-16T09:33:06Z | |
dc.date.available | 2014-10-16T09:33:06Z | |
dc.date.issued | 1994 | |
dc.identifier.citation | Toh, C.P., Ong, C.K., Ercolessi, F. (1994). Molecular-dynamics study of surface relaxation, stress, and disordering of Pb(110). Physical Review B 50 (23) : 17507-17517. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.50.17507 | |
dc.identifier.issn | 01631829 | |
dc.identifier.uri | http://scholarbank.nus.edu.sg/handle/10635/97254 | |
dc.description.abstract | Using an empirical many-body Hamiltonian fitted to bulk and surface properties of lead, we have studied the temperature-dependent structural transformations on Pb(110) by molecular-dynamics simulation. The surface is observed to undergo an anomalous thermal expansion prior to disordering at T∼500 K, in good agreement with recent ion-scattering and low-energy electron-diffraction studies. Behavior of the layer-resolved structure factors indicates that the disordering process is anisotropic and occurs in a layer-by-layer fashion. Simulation results are also consistent with experimental observations of surface roughening near 400 K as well as the formation of a quasiliquid surface phase above 500 K. The intrinsic stress anisotropy Δg, present on all fcc (110) surfaces, vanishes at T∼590 K, suggesting the possible existence of a liquid film at the surface. By examination of the structural-anisotropy data taken at various temperatures, we confirmed that complete melting of the surface layer is achieved at ∼590 K. © 1994 The American Physical Society. | |
dc.description.uri | http://libproxy1.nus.edu.sg/login?url=http://dx.doi.org/10.1103/PhysRevB.50.17507 | |
dc.source | Scopus | |
dc.type | Article | |
dc.contributor.department | PHYSICS | |
dc.description.doi | 10.1103/PhysRevB.50.17507 | |
dc.description.sourcetitle | Physical Review B | |
dc.description.volume | 50 | |
dc.description.issue | 23 | |
dc.description.page | 17507-17517 | |
dc.identifier.isiut | A1994PZ82500083 | |
Appears in Collections: | Staff Publications |
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