An empirical model for free surface energy of strained solids at different temperature regimes.

We have developed an empirical formulation, based on the elastic theory, to calculate the variation of the surface free energy when a crystal is strained in the elastic regime. The model permits to obtain the variation of the surface energy at different strains and temperatures when are known the thermal dependence on the bulk and surface elastic constants. Molecular dynamics (MD) simulations were performed using the three low index surfaces of Al, to validate the accuracy of the model. The comparison between the empirical model and the MD simulations shows a good agreement for temperatures ranging between 0 and 900 K, and for deformation between 2% and 2%.

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Field Value
Source ISSN: 0169-4332
Author Garruchet, S., Politano, O., Salazar, J.-M., Hasnaoui, A., Montesin, T.
Maintainer CCSD
Last Updated May 10, 2026, 04:36 (UTC)
Created May 10, 2026, 04:36 (UTC)
Identifier hal-00084942
Language en
contributor Laboratoire de Recherche sur la Réactivité des Solides (LRRS) ; Université de Bourgogne (UB)-Centre National de la Recherche Scientifique (CNRS)
creator Garruchet, S.
date 2006-05-10T00:00:00
harvest_object_id 04109373-a577-4844-995e-3f49c2605cb4
harvest_source_id 3374d638-d20b-4672-ba96-a23232d55657
harvest_source_title test moissonnage SELUNE
metadata_modified 2025-03-31T00:00:00
relation info:eu-repo/semantics/altIdentifier/doi/10.1016/j.apsusc.2005.12.045
set_spec type:ART