Molecular Dynamics Simulation of Nanoindentation of Cu/Au Thin Films at Different Temperatures

Li, Qibin; Huang, Cheng; Fu, Tao; Peng, Tiefeng

doi:10.1155/2016/9265948

Cited by 9 publications

(2 citation statements)

References 28 publications

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“…Two theoretical guidelines for the class mechanism explain the evolution mechanism of 3C-SiC plastic deformation. Elchin M et al [ 12 , 13 ] studied the change in the surface of 3C-SiC particles with temperature and the heating rate, determined the specific heat capacity and Gibbs free energy at different heating rates, which has important reference significance for the field of 3C-SiC thermal processing, and studied the nanoindentation of Cu/Au thin films at different temperatures by the deposition method and ideal modeling method based on lattice constant, then visualized and analyzed the lattice structure based on open software Ovito. It was found that the hardness of the film weakened with the increase in temperature.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation Analysis of Damage and Expansion Process of Nanoindentation Single-Crystal 3C-SiC Carbide Specimens at Different Temperature

Ning

Zhong

et al. 2023

Nanomaterials

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The molecular dynamics method was used to analyze the influence of simulated temperature on the damage expansion process of the 3C-SiC sample under nano-indentation loading in order to study the influence of temperature on the internal damage and expansion mechanism of the 3C-SiC single crystal sample further during the nano-indentation loading process. A simulation test platform for diamond indenter indentation was established. The process of stress and strain distribution, dislocation evolution, dislocation expansion and potential energy change were analyzed, combined with the radial distribution function and load displacement curve. The influence of temperature on the 3C-SiC material was discussed. The variation trend of the potential energy-step curve is basically the same at the temperatures of 0 K, 300 K, 600 K and 900 K. The difference in strain distribution was characterized by the influence of temperature on stress intensity, expansion direction and type. The microcosmic manifestation is the significant difference in the dislocation slip at low temperature. In the process of dislocation evolution and expansion, dislocation climbs at room temperature and increases at high temperature, which is closely related to energy release. This study has certain guiding significance for investigating the internal damage difference and temperature effect of the 3C-SiC sample.

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Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation Analysis of Damage and Expansion Process of Nanoindentation Single-Crystal 3C-SiC Carbide Specimens at Different Temperature

Ning

Zhong

et al. 2023

Nanomaterials

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“…To better describe the interactions between the Cu and Sn atoms, the modified embedded atom method (MEAM) interatomic potential was used. The MEAM interatomic potential has been fully discussed in references [21,22], and it has provided good results in simulating the mechanical properties [15,23], defect formation [24][25][26] and diffusivity [27,28] of both solid and liquid materials; thus, it will not be introduced here again.…”

mentioning

confidence: 99%

A Molecular Dynamics Investigation of the Effect of Pressure and Orientation on the Cu Consumption in Cu-Cu3Sn Interface under Isothermal Ageing and Its Dissipative Mechanisms during Traction

Liang¹,

Zhang²,

Xu³

et al. 2018

Preprint

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Abstract:In this paper, the nanoscale dissipative mechanisms of a Cu pad in a Ball Grid Array (BGA) packaging structure during isothermal ageing and uniaxial tension were investigated by the molecular dynamics (MD) method and experiments. From the result of the isothermal ageing test, a nonuniform consumption of Cu and large amount of Kirkendall voids were observed at the interface of Cu and Cu3Sn. To study the effect of pressure and orientation on this phenomenon, MD simulations were conducted on four types of Cu-Cu3Sn interface structures with different orientations of Cu. By comparing the diffusion coefficients of atoms in those cases, it was found that the tensile stress would inhibit the diffusion of atoms, whereas compressive stress would accelerate it, and this would be more significant under a larger magnitude of stress and temperature. Note that, in the model with the (101) surface Cu at the interface, both Cu and Cu3Sn have a higher diffusion coefficient compared with the model with (001) surface Cu. Thus, the orientation of Cu will also contribute to the uniform consumption of the pad. Uniaxial tension simulation combined with DXA and CSP analyses on those models also shows the model with (001) surface Cu has a greater mechanical reliability in our simulations and related experiments.

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Atomistic simulation study of influence of Al2O3–Al interface on dislocation interaction and prismatic loop formation during nano-indentation on Al2O3-coated aluminum

2018

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A large-scale molecular dynamics (MD) simulation of nano-indentation was carried out to provide insight into the influence of the Al-AlO interface on dislocation evolution and deformation behavior of Al substrate coated with AlO thin film. Adaptive common neighbor analysis (a-CNA), centro-symmetry parameter (CSP) estimation, and dislocation extraction algorithm (DXA) were implemented to represent structural evolution during nano-indentation deformation. The absence of elastic regime was observed in the P-h curve for this simulated nano-indentation test of AlO thin film coated Al specimen. The displacement of oxygen atoms from AlO to Al partly through the interface greatly influences the plastic deformation behavior of the specimen during nano-indentation. Prismatic dislocation loops, which are formed due to pinning of Shockley partials (1/6 < 112>) by Stair-rod (1/6 < 110>) and Hirth dislocation (1/3 < 001>), were observed in all cases studied in this work. Pile-up of atoms was also observed and the extent of the pile-up was found to vary with the test temperature. A distorted stacking fault tetrahedron (SFT) is formed when a nano-indentation test is carried out at 100 K. The presence of a prismatic dislocation loop, SFT and dislocation forest caused strain hardening and, consequently, there is an increase in hardness as indentation depth increases. Graphical abstract Figure illustrates nano-indentation model set up along with load vs. depth curve and distorted stacking fault tetrahedron.

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Molecular Dynamics Simulation of Nanoindentation of Cu/Au Thin Films at Different Temperatures

Cited by 9 publications

References 28 publications

Molecular Dynamics Simulation Analysis of Damage and Expansion Process of Nanoindentation Single-Crystal 3C-SiC Carbide Specimens at Different Temperature

Molecular Dynamics Simulation Analysis of Damage and Expansion Process of Nanoindentation Single-Crystal 3C-SiC Carbide Specimens at Different Temperature

A Molecular Dynamics Investigation of the Effect of Pressure and Orientation on the Cu Consumption in Cu-Cu3Sn Interface under Isothermal Ageing and Its Dissipative Mechanisms during Traction

Atomistic simulation study of influence of Al2O3–Al interface on dislocation interaction and prismatic loop formation during nano-indentation on Al2O3-coated aluminum

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