Development of Nanomachining Mechanism Based on Molecular Dynamics Simulation

2015 ◽  
Vol 667 ◽  
pp. 41-46
Author(s):  
Peng Yue Zhao ◽  
Yong Bo Guo ◽  
Guo Kun Qu
Keyword(s):  
Molecular Dynamics ◽  
Material Removal ◽  
Polycrystalline Material ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Mechanism Study ◽  
Nanoscale Material ◽  
Plastic Materials ◽  
Nanometric Machining ◽  
Dynamics Method

Nanomachining technology has broad application prospects and molecular dynamics method is an important research tools for studying nanoscale material removal mechanism. This paper is focused on the analysis of basic principle of molecular dynamics method and the progress of nanomachining model. The nanomachining mechanism of single crystalline brittle materials and plastic materials are investigated completely, micro-nanomachining mechanism of polycrystalline material is also summarized, The challenges and future development of the nanometric machining mechanism study are also discussed.

Cooling rate dependence of solidification for liquid aluminium: a large-scale molecular dynamics simulation study

2016 ◽  
Vol 18 (26) ◽  
pp. 17461-17469 ◽  
Author(s):  
Z. Y. Hou ◽  
K. J. Dong ◽  
Z. A. Tian ◽  
R. S. Liu ◽  
Z. Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cooling Rate ◽  
Simulation Study ◽  
Large Scale ◽  
Solidification Process ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Liquid Aluminium ◽  
Dynamics Method

The effect of the cooling rate on the solidification process of liquid aluminium is studied using a large-scale molecular dynamics method.

Multi-nanoparticle model simulations of the porosity effect on sintering processes in Ni/YSZ and Ni/ScSZ by the molecular dynamics method

2015 ◽  
Vol 3 (43) ◽  
pp. 21518-21527 ◽  
Author(s):  
Jingxiang Xu ◽  
Shandan Bai ◽  
Yuji Higuchi ◽  
Nobuki Ozawa ◽  
Kazuhisa Sato ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Simulation Method ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Model Simulations ◽  
Porosity Effect ◽  
Sintering Processes ◽  
Dynamics Method

The effects of the ceramic type and porosity on the sintering and degradation in Ni/YSZ and Ni/ScSZ anodes are unveiled by a recently developed multi-nanoparticle sintering simulation method based on molecular dynamics simulation.

Numerical Studies of the Squeeze-Film Damping of MEMS Devices with Perforations in the Non-Continuum Regime

2013 ◽  
Vol 677 ◽  
pp. 130-135
Author(s):  
Feng Yu ◽  
Pu Li ◽  
Zhuo Wang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Continuum Theory ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Squeeze Film ◽  
Quality Factors ◽  
Simulation Code ◽  
Air Damping ◽  
Dynamics Method

Predicting squeeze-film air damping of resonators in rare air is crucial in the design of high-Q devices for various applications. In the past, there have been two approaches to treat the squeeze-film air damping in non-continuum regime: using effective viscosity coefficient and using the molecular dynamics method. And most of the previous work focused on devices in which the rarefaction effects of air are not significant. For such cases, continuum theory is often adequate. However, we have investigated the air damping on oscillating structures in the free molecular regime in which classical continuum theory is no longer valid. Based on this premise, Hutcherson (2004 J. Micromesh. Microeng. 14 1726-1733) has developed a molecular dynamics simulation code and used in predicting quality factors of an oscillating micro-plate at low pressures. However, his work is valid only for non-perforated micro-plate. This paper, a brief description of the molecular dynamics method is presented first. Then a molecular dynamics simulation code has been developed and used in predicting quality factors of a perforated oscillating micro-plate in free molecular regime. And we have found that the molecular dynamics simulation results have shown an excellent agreement with the experimental data of Kwok et al. Finally, the limitations of the present molecular dynamics simulation code have been reported.

Network-Forming Ions Diffusion in Metasilicate and Pyrophosphate MeIts: Molecular Dynamics Simulation

2008 ◽  
Vol 39-40 ◽  
pp. 49-52
Author(s):  
G.G. Boiko ◽  
G.V. Berezhnoi
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Oxygen Diffusion ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Necessary Condition ◽  
Oxygen Ions ◽  
Defect Complexes ◽  
Dynamics Method

The specific features of the dynamics of oxygen ions in Ме2O · SiO2 (Ме = Li, Na, K, Cs) and Na2O·ZnO·P2O5 melts at а temperature of 2000 K were investigated bу the molecular dynamics method. It is demonstrated that, as in the systems studied earlier, the formation of defect complexes is а necessary condition fог an oxygen diffusion event to bе successful. The scenarios of generating defect соmplexes аrе described, and the lifetimes of these complexes are calculated. The structure of the defect complexes is determined. It is shown that two-membered rings, free and threefold-coordinated oxygen ions сап also bе involved in the formation of defect complexes.

Molecular Dynamics Simulation of Thermal Conductivity of 3C-SiC Nanowire

2013 ◽  
Vol 800 ◽  
pp. 210-212
Author(s):  
Zan Wang ◽  
Hong Chao Cao ◽  
Hua Wei Guan
Keyword(s):  
Thermal Conductivity ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Important Application ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Nonequilibrium Molecular Dynamics ◽  
Third Generation ◽  
Different Temperatures ◽  
Dynamics Method

SiC is one of the most important third-generation semiconductors, which has important application value. Based on the nonequilibrium Molecular Dynamics method, a model of 3C-SiC nanowire is proposed, and thermal transport under different temperatures is investigated. The results show about 200K the thermal conductivity of 3C-SiC nanowire approaches to the peak 7.84W/m.K.

Study on phase transformation in cutting Ni-base superalloy based on molecular dynamics method

2020 ◽  
pp. 095440622095124 ◽  
Author(s):  
ZhaoPeng Hao ◽  
ZaiZhen Lou ◽  
YiHang Fan
Keyword(s):  
Molecular Dynamics ◽  
Phase Transformation ◽  
Single Crystal ◽  
Lattice Structure ◽  
Cutting Speed ◽  
Potential Functions ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Nickel Based Alloy ◽  
Dynamics Method

Nickel-based single crystal alloys are widely used in aerospace and other important fields of national defense due to their excellent properties. Phase transformation occurs during high-speed cutting of nickel-based single crystal alloy, which seriously affects the surface quality. It is of great significance to carry out theoretical research on phase transformation for improving the machining quality of nickel-based alloy. In this paper, molecular dynamics method is used to study the nano-cutting of single crystal nickel-based alloy with silicon nitride ceramic tool. The mechanism of phase transformation and the effect of cutting speed on phase transformation in workpieces are studied in detail. The nano-cutting model is established. Morse potential functions for molecular dynamics simulation are calculated, and EAM and Tersoff potential functions are selected. The effect of cutting speed on phase transformation was studied by using radial distribution function, coordination number analysis, common neighbor analysis, and the deep reasons for the sharp change of lattice structure were analyzed from many aspects. Finally, in order to verify the universality of the research results and explore the new properties of compression, nano compression (the same strain rate as the nano cutting process) was simulated. The results show that the increase of cutting speed leads to the increase of hydrostatic stress, the increase of energy in crystal and the rise of cutting temperature. As a result, the change of lattice structure becomes more and more intense, and the conversion rate of different crystal structures increases greatly.

Molecular Dynamics Simulation of Thermoelastic Coupling Characteristic for Low-Dimensional Nano-Rod under Thermal Shock

2012 ◽  
Vol 581-582 ◽  
pp. 444-447 ◽  
Author(s):  
Rong Hou Xia ◽  
Xiao Geng Tian ◽  
Ya Peng Shen ◽  
Wei Qin Li
Keyword(s):  
Molecular Dynamics ◽  
Thermal Shock ◽  
Large Scale ◽  
Propagation Speed ◽  
Heat Propagation ◽  
Molecular Dynamics Method ◽  
Dynamics Simulation ◽  
Left Edge ◽  
Low Dimensional ◽  
Dynamics Method

In this paper, the thermoelastic problem of low-dimensional nano copper rod under thermal shock is simulated using molecular dynamics method by adopting embedded atom method potential function. The rod oriented along x-axis, the left edge of the rod is traction free and the right edge is fixed, free boundary condition is imposed on y and z-axis. At the same time, the left and right ends of the rod are imposed hot and cold bath respectively. By virtue of the molecular dynamics method, the temperature, displacement and stress along the rod at different moment are got. The results show that the temperature, displacement and stress distribution in the mobile region are limited, indicating that the heat propagation speed is limited rather than infinite. In addition, the simulation process are conducted the Large-scale Atomic / Molecular Massively Parallel simulator (LAMMPS) and completed visualization software (Atomeye) in this paper.

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