Abstract

BARCO-RIOS, Héctor; ARISTIZABAL-SOTO, Héctor D.  and  RESTREPO-PARRA, Elisabeth. Graphic User Interface for Molecular Dynamics Simulation of Thin Films. TecnoL. [online]. 2016, vol.19, n.36, pp.113-123. ISSN 0123-7799.

In this work, a software for simulating nanoindentation in thin films was implemented. For the software constructions, the Molecular Dynamics technique was used. The model applied for the graphic interface (software) is an approximation that reproduces the characteristic curves tendencies in test of materials hardness; on the other hand, the software was designed and built in a friendly environment, where the user can develop its own thin films, not only in monolayers, but also in multilayers. This interface allows to control the film thickness, the number of layers and other physical properties as the dissociation energy or the energy parameter in the sphere; furthermore, it is possible to control the steps of the dynamical time. For ensuring the proper working of the software, several simulations using the chromium parameters as the reference material were carried out, reproducing experimental tendencies.

Keywords : Thin films; Molecular Dynamic; dissociation energy; simulations; Software.

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