Bent surface free energy differences from simulation

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dc.creatorTartaglino, U.
dc.creatorPasserone, D.
dc.creatorTosatti, E.
dc.creatorDi Tolla, F.
dc.date2000-11-28
dc.date.accessioned2026-07-07T02:39:36Z
dc.date.available2026-07-07T02:39:36Z
dc.descriptionWe present a calculation of the change of free energy of a solid surface upon bending of the solid. It is based on extracting the surface stress through a molecular dynamics simulation of a bent slab by using a generalized stress theorem formula, and subsequent integration of the stress with respect to strain as a function of bending curvature. The method is exemplified by obtaining and comparing free energy changes with curvature of various reconstructed Au(001) surfaces.
dc.description14 pages, 2 figures, accepted for publication in Surface Science (ECOSS-19)
dc.identifierhttps://arxiv.org/abs/cond-mat/0011470
dc.identifierhttp://arxiv.org/abs/cond-mat/0011470
dc.identifierSurf. Sci. 482-485 (2001) 1331
dc.identifierdoi:10.1016/S0039-6028(01)00709-9
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/17072
dc.subjectMaterials Science
dc.titleBent surface free energy differences from simulation
dc.typetext

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