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.

Molecular Dynamics Simulation of the Rapid Solidification of Liquid Zinc

2011 ◽  
Vol 383-390 ◽  
pp. 7385-7389 ◽  
Author(s):  
Rui Na Ma ◽  
Hong Chen Qiu ◽  
Jian Jun Wu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Cooling Rate ◽  
Rapid Solidification ◽  
Energy Analysis ◽  
Complex Structure ◽  
Solidification Process ◽  
Amorphous Structure ◽  
Dynamics Simulation ◽  
Simulation Based

Molecular dynamics simulation based on the Morse potential is carried out to investigate the rapid solidification of Zn. Radial distribution function, the energy analysis, Voronoi polyhedral structure analysis are used to analyze the microstructure evolution of solidification process. The results showed that amorphous structure formed when the cooling rate exceeded 2.5×1012K/s; crystal formed when the cooling rate less than 7.0×1011K/s; complex structure formed when the cooling rate was between7.0×1011K/s and 2.5×1012K/s.

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.

Microstructure Transition during Rapid Solidification of Liquid Metal Zn

2014 ◽  
Vol 997 ◽  
pp. 574-577
Author(s):  
You Lin Peng ◽  
Li Li Zhou ◽  
Lan Zhen Chen
Keyword(s):  
Crystal Structure ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Liquid Metal ◽  
Cooling Rate ◽  
Rapid Solidification ◽  
Simulation Study ◽  
Dynamics Simulation

A molecular dynamics simulation study has been performed for a system consisting of 10,000 atoms to investigate the microstructure evolutions during the rapid solidification. Results indicate that the crystallization has not enough time to complete due to the high cooling rate; therefore, a part of crystal structure is formed, in which the hcp and fcc basic clusters and some other metallic type clusters coexist in the final solidified structure.

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.

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