Using atomic response time to explore the effect of strain rate on yielding behaviors of tensile Cu nanowire with the molecular dynamic method

2022 ◽  
Author(s):  
Yuan-Ching Lin ◽  
Tung-Hsien Yang ◽  
Tzung-Ming Chen ◽  
Dar-Jen Pen
Keyword(s):  
Response Time ◽  
Strain Rate ◽  
Molecular Dynamic ◽  
Molecular Dynamic Method ◽  
Dynamic Method

A Molecular Dynamic Study on the Equation of State for Argon Fluid at Temperatures Near its Critical Point

2014 ◽  
Vol 543-547 ◽  
pp. 3959-3962
Author(s):  
Xiao Bin Lv ◽  
Xiao Feng Yang
Keyword(s):  
Equation Of State ◽  
Molecular Dynamic ◽  
Cluster Expansion ◽  
Simple Form ◽  
Empirical Formula ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
The Third ◽  
Ideal Gases ◽  
Expansion Technique

In this paper, we have developed an empirical formula describing the equation of state of argon fluid using cluster expansion technique and commonly used force parameters. To test the reliability of the formula, we have further simulated the equation of state for argon at corresponding states employing molecular dynamic method. The comparisons have shown that the empirical formula gives much better prediction than that from the simple form equation of ideal gases and the inclusion of the third virial terms in expansions is prominently important.

925 Structural Analysis of Atmospheric Corrosion Products on Steel by Molecular Dynamic Method

2005 ◽  
Vol 2005.80 (0) ◽  
pp. _9-49_-_9-50_
Author(s):  
Masaya MORIKAWA ◽  
Satoshi HANAKI ◽  
Masato YAMASHITA ◽  
Hitoshi UCHIDA
Keyword(s):  
Structural Analysis ◽  
Molecular Dynamic ◽  
Atmospheric Corrosion ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
Corrosion Products

Interaction of Dislocations at Interfaces in Multilayered Materials

2016 ◽  
Vol 258 ◽  
pp. 102-105
Author(s):  
Hideo Koguchi ◽  
Yusuke Tanaka
Keyword(s):  
Boundary Condition ◽  
Surface Tension ◽  
Molecular Dynamic ◽  
Continuum Mechanics ◽  
Misfit Dislocation ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
Substrate Interface ◽  
Interface Elasticity ◽  
Multilayered Materials

The authors construct a bridge between a microscale view and a nanoscale one in continuum mechanics. When the size of structure reduces to nanolevel, the ratio of surface to volume increases. Then, the surface stresses, which like to surface tension in fluid, influence on bulk stresses. In the present paper, the authors analyze a problem that anisotropic nanothin layers are deposited on a half substrate. Interface stresses and interface elasticity are taken into account for the boundary condition for each layer. Furthermore, misfit dislocation networks which generate from a mismatch of lattice parameters in crystals composing multilayers exist at each interface. A complicated interaction between misfit dislocation networks located at different interfaces will be demonstrated, and the results in the theory will be compared with those in a molecular dynamic method using a generalized embedded atomic potential.

Study of formation and development of lubricant bridge in head-disk interface using molecular dynamic method

2016 ◽  
pp. 1-1 ◽  
Author(s):  
Xiangyu Dai ◽  
Jingshi Zhang ◽  
Shengnan Shen ◽  
Hui Li ◽  
Tianqi Zhai ◽  
...  
Keyword(s):  
Molecular Dynamic ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
Head Disk Interface ◽  
Disk Interface

Study of the Formation and Break of Lubricant Bridge in the Head Disk Interface Using Molecular Dynamic Method

2016 ◽  
Author(s):  
Xiangyu Dai ◽  
Xiao Lei ◽  
Hui Li
Keyword(s):  
Molecular Dynamic ◽  
Md Simulation ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
Rapid Heating ◽  
Three Dimensional ◽  
Simulation Method ◽  
Disk Interface ◽  
Helium Atoms ◽  
Heating And Cooling

Nowadays, heat assisted magnetic recording (HAMR) technology has been proposed to reach higher storage density. In this paper, the molecular dynamic (MD) simulation method is used to investigate the damage and recovery of the lubricant perfluoropolyethers (PFPE) layer under rapid heating and cooling in HAMR. Full-atom model for three-dimensional slider-lubricants-disk substrate system are built. The lubricant adheres to the diamond like carbon (DLC) substrate, and the space between slider and lubricant is filled with helium atoms. The results show that with higher heating speed, the PFPE will be easier to evaporate and form lubricant bridge. In addition, the thickness and stability of the lubricant bridge are significantly affected by the heating speed and the rotation speed of disk.

scholarly journals Structural Simulation of Mg2SiO4 under Compression

2020 ◽  
Vol 36 (4) ◽  
Author(s):  
Nguyen Hung Son ◽  
Nguyen Hoang Anh
Keyword(s):  
High Pressure ◽  
Molecular Dynamic ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
Bond Angle ◽  
Distribution Functions ◽  
Radial Distribution Functions ◽  
Angle Distribution ◽  
Peak Splitting ◽  
Bond Angle Distribution

The microstructure in Mg2SiO4 glass under high compression is studied by molecular dynamic method. This work revealed the correlation between pair radial distribution functions (PRDF) of Si-Si pair and bond angle distribution (BAD) of Si-O-Si and focus on clarifying the split peak of Si-Si PRDF. Moreover, visualizing the bonds of Si-Si at different pressures show changing of Si-Si bonds with pressure. In particularly, as increasing pressure, it forms corner-sharing, edge-sharing and face-sharing bond between SiOx coordination units results in the first peak splitting of Si-Si PRDF at high pressure. The results of Si-Si’s PRDF have also been analyzed and explained in detail.

A combined DFTB nanoreactor and reaction network generator approach for mechanism of hydrocarbon combustion

2021 ◽  
Author(s):  
Jiawei Bai ◽  
Xingchen Liu ◽  
tingyu Lei ◽  
Botao Teng ◽  
Xiaodong Wen
Keyword(s):  
Markov Model ◽  
Molecular Dynamic ◽  
Density Functional ◽  
Molecular Dynamic Method ◽  
Dynamic Method ◽  
Hidden Markov ◽  
Tight Binding ◽  
Reaction Network ◽  
Hydrocarbon Combustion ◽  
Network Generator

We explored the mechanism of ethylene combustion by combining density functional tight-binding based nanoreactor molecular dynamic method (DFTB-NMD) and a hidden Markov model (HMM) based reaction network generator approach. The...

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