6533b81ffe1ef96bd1276fa1

RESEARCH PRODUCT

Numerical and theoretical considerations on the surface energy for pure solids under strain

Olivier PolitanoJ.m. SalazarSébastien Garruchet

subject

Surface (mathematics)Materials scienceStrain (chemistry)Tension (physics)Mechanical EngineeringNumerical analysisMechanicsCondensed Matter PhysicsCompression (physics)Surface energyStress (mechanics)Molecular dynamicsMechanics of MaterialsGeneral Materials ScienceStatistical physics

description

In this paper we developed a numerical analysis, by means of molecular dynamics (MD) simulations, for the surface energy of solids when a stress is applied parallel to the surface. Our MD simulations for Al showed that under these conditions; compression or an alternation of compression and tension, with respect to the bulk, of some atomic layers below the surface is present. Moreover, we quantified the surface energy variations that led us to propose an empirical model.

yearjournalcountryeditionlanguage
2004-12-01Materials Science and Engineering: A
https://doi.org/10.1016/j.msea.2004.01.095