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Graphic user interface for molecular dynamics simulation of thin films

Interfaz gráfica de usuario para la simulación por dinámica molecular de películas delgadas

dc.creatorBarco-Ríos, Héctor
dc.creatorAristizábal-Soto, Héctor D.
dc.creatorRestrepo-Parra, Elisabeth
dc.date2016-01-30
dc.date.accessioned2021-03-18T21:06:43Z
dc.date.available2021-03-18T21:06:43Z
dc.identifierhttps://revistas.itm.edu.co/index.php/tecnologicas/article/view/590
dc.identifier10.22430/22565337.590
dc.identifier.urihttp://test.repositoriodigital.com:8080/handle/123456789/11680
dc.descriptionIn 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.en-US
dc.descriptionEn este trabajo se implementó el software de simulación para la nanoindentación de películas delgadas. El software desarrollado empleó la técnica de Dinámica Molecular. El modelo con el cual opera la interfaz gráfica (software), es un modelo aproximado, que reproduce las tendencias de las curvas características en pruebas de dureza de materiales. Por otro lado, el programa se diseñó y construyó con un entorno amigable, donde el usuario puede construir sus propias películas delgadas, tanto en monocapas como en bicapas. La interfaz permite controlar el espesor de la película, el número de capas y otras propiedades físicas tales como energía de disociación o parámetros de energía en la esfera; además, se puede tener control de los pasos de tiempo de dinámica. Para comprobar el funcionamiento del software se realizaron una serie de simulaciones utilizando los parámetros del cromo como material de referencia. Los resultados obtenidos, demostraron que el software puede reproducir las tendencias y curvas características en pruebas de dureza de materiales. Se espera mejorar este software para que sea una herramienta que permita realizar comparaciones con futuras investigaciones experimentales.es-ES
dc.formatapplication/pdf
dc.languagespa
dc.publisherInstituto Tecnológico Metropolitano (ITM)en-US
dc.relationhttps://revistas.itm.edu.co/index.php/tecnologicas/article/view/590/617
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dc.rightsCopyright (c) 2017 Tecno Lógicasen-US
dc.sourceTecnoLógicas; Vol. 19 No. 36 (2016); 113-123en-US
dc.sourceTecnoLógicas; Vol. 19 Núm. 36 (2016); 113-123es-ES
dc.source2256-5337
dc.source0123-7799
dc.subjectThin filmsen-US
dc.subjectMolecular Dynamicen-US
dc.subjectGraphic interfaceen-US
dc.subjectdissociation energyen-US
dc.subjectsimulationsen-US
dc.subjectSoftwareen-US
dc.subjectDinámica Moleculares-ES
dc.subjectinterface gráficaes-ES
dc.subjectenergía de disociaciónes-ES
dc.subjectsimulaciónes-ES
dc.subjectsoftwarees-ES
dc.titleGraphic user interface for molecular dynamics simulation of thin filmsen-US
dc.titleInterfaz gráfica de usuario para la simulación por dinámica molecular de películas delgadases-ES
dc.typeinfo:eu-repo/semantics/article
dc.typeinfo:eu-repo/semantics/publishedVersion
dc.typeResearch Papersen-US
dc.typeArtículos de investigaciónes-ES


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