Analysis of deformation behaviour of Al–Ni–Co thin film coated aluminium during nano-indentation: a molecular dynamics study

AbstractMolecular dynamics (MD) simulations of atomistic processes of nucleation and crystal growth of silicon (Si) on SiO2 substrate have been performed using the Tersoff potential based on a combination of Langevin and Newton equations. A new set of potential parameters was used to calculate the interatomic forces of Si and oxygen (O) atoms. It was found that the (111) plane of the Si nuclei formed at the surface was predominantly parallel to the surface of MD cell. The values surface energy for (100), (110), and (111) planes of Si at 77 K were calculated to be 2.27, 1.52, and 1.20 J/m2, respectively. This result suggests that, the nucleation leads to a preferred (111) orientation in the poly-Si thin film at the surface, driven by the lower surface energy.

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The Study on Young's Modulus of Multilayered Cu/Ni Multilayered Nano Thin Films by Molecular Dynamics Simulation

Applied Mechanics and Materials ◽

10.4028/www.scientific.net/amm.513-517.113 ◽

2014 ◽

Vol 513-517 ◽

pp. 113-116

Author(s):

Jen Ching Huang ◽

Fu Jen Cheng ◽

Chun Song Yang

Keyword(s):

Thin Film ◽

Thin Films ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Strain Rate ◽

Young’S Modulus ◽

Potential Function ◽

Dynamics Simulation ◽

System Temperature ◽

Simulation Results

The Youngs modulus of multilayered nanothin films is an important property. This paper focused to investigate the Youngs Modulus of Multilayered Ni/Cu Multilayered nanoThin Films under different condition by Molecular Dynamics Simulation. The NVT ensemble and COMPASS potential function were employed in the simulation. The multilayered nanothin film contained the Ni and Cu thin films in sequence. From simulation results, it is found that the Youngs modulus of Cu/Ni multilayered nanothin film is different at different lattice orientations, temperatures and strain rate. After experiments, it can be found that the Youngs modulus of multilayered nanothin film in the plane (100) is highest. As thickness of the thin film and system temperature rises, Youngs modulus of multilayered nanothin film is reduced instead. And, the strain rate increases, the Youngs modulus of Cu/Ni multilayered nanothin film will also increase.

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Spherical nano-indentation of a hard thin film/soft substrate layered system: II. Evolution of stress and strain fields

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/12/1/007 ◽

2003 ◽

Vol 12 (1) ◽

pp. 69-78 ◽

Cited By ~ 9

Author(s):

Yo-Han Yoo ◽

Woong Lee ◽

Hyunho Shin

Keyword(s):

Thin Film ◽

Layered System ◽

Stress And Strain ◽

Soft Substrate ◽

Strain Fields ◽

Nano Indentation

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Measurement of Young's Modulus and Poisson's Ratio of Thin Film by Combination of Bulge Test and Nano-Indentation

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.33-37.969 ◽

2008 ◽

Vol 33-37 ◽

pp. 969-974 ◽

Cited By ~ 1

Author(s):

Bong Bu Jung ◽

Seong Hyun Ko ◽

Hun Kee Lee ◽

Hyun Chul Park

Keyword(s):

Thin Film ◽

Mechanical Properties ◽

Young’S Modulus ◽

Poisson’S Ratio ◽

Young's Modulus ◽

Applied Pressure ◽

Indentation Test ◽

Poisson's Ratio ◽

Bulge Test ◽

Nano Indentation

This paper will discuss two different techniques to measure mechanical properties of thin film, bulge test and nano-indentation test. In the bulge test, uniform pressure applies to one side of thin film. Measurement of the membrane deflection as a function of the applied pressure allows one to determine the mechanical properties such as the elastic modulus and the residual stress. Nano-indentation measurements are accomplished by pushing the indenter tip into a sample and then withdrawing it, recording the force required as a function of position. . In this study, modified King’s model can be used to estimate the mechanical properties of the thin film in order to avoid the effect of substrates. Both techniques can be used to determine Young’s modulus or Poisson’s ratio, but in both cases knowledge of the other variables is needed. However, the mathematical relationship between the modulus and Poisson's ratio is different for the two experimental techniques. Hence, achieving agreement between the techniques means that the modulus and Poisson’s ratio and Young’s modulus of thin films can be determined with no a priori knowledge of either.

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Molecular Dynamics Modeling the Nano-Identation of Titanium

Volume 2: Manufacturing Processes; Manufacturing Systems; Nano/Micro/Meso Manufacturing; Quality and Reliability ◽

10.1115/msec2021-59982 ◽

2021 ◽

Author(s):

Peiqiang Yang ◽

Xueping Zhang ◽

Zhenqiang Yao ◽

Rajiv Shivpuri

Keyword(s):

Molecular Dynamics ◽

Plastic Deformation ◽

Titanium Alloys ◽

Large Scale ◽

Mechanical Response ◽

Pure Titanium ◽

Dynamics Modeling ◽

Dynamics Model ◽

Nano Indentation ◽

Molecular Dynamics Modeling

Abstract Titanium alloys’ excellent mechanical and physical properties make it the most popular material widely used in aerospace, medical, nuclear and other significant industries. The study of titanium alloys mainly focused on the macroscopic mechanical mechanism. However, very few researches addressed the nanostructure of titanium alloys and its mechanical response in Nano-machining due to the difficulty to perform and characterize nano-machining experiment. Compared with nano-machining, nano-indentation is easier to characterize the microscopic plasticity of titanium alloys. This research presents a nano-indentation molecular dynamics model in titanium to address its microstructure alteration, plastic deformation and other mechanical response at the atomistic scale. Based on the molecular dynamics model, a complete nano-indentation cycle, including the loading and unloading stages, is performed by applying Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS). The plastic deformation mechanism of nano-indentation of titanium with a rigid diamond ball tip was studied under different indentation velocities. At the same time, the influence of different environment temperatures on the nano-plastic deformation of titanium is analyzed under the condition of constant indentation velocity. The simulation results show that the Young’s modulus of pure titanium calculated based on nano-indentation is about 110GPa, which is very close to the experimental results. The results also show that the mechanical behavior of titanium can be divided into three stages: elastic stage, yield stage and plastic stage during the nano-indentation process. In addition, indentation speed has influence on phase transitions and nucleation of dislocations in the range of 0.1–1.0 Å/ps.

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