Molecular dynamic simulations of nanoindentation in aluminum thin film on silicon substrate

Peng, Ping; Liao, Guanglan; Shi, Tielin; Tang, Zi‐Rong; Gao, Yang

doi:10.1016/j.apsusc.2010.04.005

Cited by 102 publications

(32 citation statements)

References 21 publications

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“…Molecular dynamics (MD) is a powerful tool that can be incorporated as a pseudo-experimental tool to address the size effect during the nanoindentation. In the case of crystalline metals, many different aspects of nanoindentation experiment, such as initial dislocation nucleation and evolution pattern [79,81,83], the effect of surface step [80], effects of GB [84,88,126,127], the effect of film thickness [128], the effect of substrate [129], the effect of residual stress [130], the effect of boundary conditions [85] and size effects during nanoindentation [86,87] have been investigated using MD. Szlufarska [131] summarized the advances in atomistic modelling of the nanoindentation experiment.…”

Section: Atomistic Simulation Of Nanoindentationmentioning

confidence: 99%

“…• Using the free surface for the sample top and bottom, incorporating the periodic boundary conditions for the remaining surfaces and putting a substrate under the thin film (see, e.g., Peng et al [129]). • Incorporating the free surfaces for the sample top and bottom, using periodic boundary conditions for the remaining surfaces and equilibrating the sample by adding some forces (see, e.g., Li et al [81]; Lee et al [83]).…”

Section: Atomistic Simulation Of Nanoindentationmentioning

confidence: 99%

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Review of Nanoindentation Size Effect: Experiments and Atomistic Simulation

2017

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Nanoindentation is a well-stablished experiment to study the mechanical properties of materials at the small length scales of micro and nano. Unlike the conventional indentation experiments, the nanoindentation response of the material depends on the corresponding length scales, such as indentation depth, which is commonly termed the size effect. In the current work, first, the conventional experimental observations and theoretical models of the size effect during nanoindentation are reviewed in the case of crystalline metals, which are the focus of the current work. Next, the recent advancements in the visualization of the dislocation structure during the nanoindentation experiment is discussed, and the observed underlying mechanisms of the size effect are addressed. Finally, the recent computer simulations using molecular dynamics are reviewed as a powerful tool to investigate the nanoindentation experiment and its governing mechanisms of the size effect.

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Section: Atomistic Simulation Of Nanoindentationmentioning

confidence: 99%

Section: Atomistic Simulation Of Nanoindentationmentioning

confidence: 99%

Review of Nanoindentation Size Effect: Experiments and Atomistic Simulation

2017

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“…Por último, en la zona de descarga se observa cómo a medida que el indentador retrocede, el material se recupera elásticamente (zona 3). La pendiente de la curva indica qué tanto se puede recuperar elásticamente el material [40]. Es claro entonces, que los resultados observados a partir de las simulaciones desarrolladas utilizando la interfaz gráfica, presentan un comportamiento coherente con lo que se observa en pruebas experimentales, reproduciéndose, de este modo, las tendencias de las curvas características de carga-descarga.…”

Section: Resultados Y Discusionesunclassified

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

Barco-Ríos

Aristizábal-Soto

2016

TecnoL.

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En 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.

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“…The Tersoff/ZBL potential is revised through Tersoff potential. The Tersoff/ZBL potential is a function formed by the Tersoff function and Ziegler-Biersack-Littmark universal screening function [51,52]; it can describe the collision process of incident particles and target atoms very well. The Lennard-Jones potential was used to describe the Si-He, C-He, and He-He interactions [53].…”

Section: Models and Computational Detailsmentioning

confidence: 99%

Effect of Carbon Concentration on the Sputtering of Carbon-Rich SiC Bombarded by Helium Ions

Liang

Zhao

et al. 2018

Computation

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Silicon carbide (SiC) is considered as an important material for nuclear engineering due to its excellent properties. Changing the carbon content in SiC can regulate and control its elastic and thermodynamic properties, but a simulation study of the effect of carbon content on the sputtering (caused by the helium ions) of SiC is still lacking. In this work, we used the Monte-Carlo and molecular dynamics simulation methods to study the effects of carbon concentration, incidence energy, incident angle, and target temperature on the sputtering yield of SiC. The results show that the incident ions' energy and angle have a significant effect on sputtering yield of SiC when the carbon concentration in SiC is around 62 at %, while the target temperature has a little effect on the sputtering yield of SiC. Our work might provide theoretical support for the experimental research and engineering application of carbon fiber-reinforced SiC that be used as the plasma-facing material in tokamak fusion reactors.

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Molecular dynamic simulations of nanoindentation in aluminum thin film on silicon substrate

Cited by 102 publications

References 21 publications

Review of Nanoindentation Size Effect: Experiments and Atomistic Simulation

Review of Nanoindentation Size Effect: Experiments and Atomistic Simulation

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

Effect of Carbon Concentration on the Sputtering of Carbon-Rich SiC Bombarded by Helium Ions

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