Molecular dynamics simulations of flame propagation along a monopropellant PETN coupled with multi-walled carbon nanotubes

2017 ◽  
Vol 121 (5) ◽  
pp. 054902 ◽  
Author(s):  
S. Jain ◽  
G. Mo ◽  
L. Qiao
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Flame Propagation ◽  
Multi Walled Carbon Nanotubes ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes

scholarly journals Molecular Dynamics Simulations and Theoretical Model for Engineering Tensile Properties of Single-and Multi-Walled Carbon Nanotubes

Nanomaterials ◽  
2021 ◽  
Vol 11 (3) ◽  
pp. 795
Author(s):  
Keiichi Shirasu ◽  
Shunsuke Kitayama ◽  
Fan Liu ◽  
Go Yamamoto ◽  
Toshiyuki Hashida
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Number Of Layers ◽  
Effective Strength ◽  
Nominal Strength ◽  
Multi Walled Carbon Nanotubes ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes ◽  
Walled Cnts

To apply carbon nanotubes (CNTs) as reinforcing agents in next-generation composites, it is essential to improve their nominal strength. However, since it is difficult to completely remove the defects, the synthesis guideline for improving nominal strength is still unclear, i.e., the effective strength and the number of nanotube layers required to improve the nominal strength has been undermined. In this study, molecular dynamics simulations were used to elucidate the effects of vacancies on the mechanical properties of CNTs. Additionally, the relationships between the number of layers and effective and nominal strengths of CNTs were discussed theoretically. The presence of extensive vacancies provides a possible explanation for the low nominal strengths obtained in previous experimental measurements of CNTs. This study indicates that the nominal strength can be increased from the experimentally obtained values of 10 GPa to approximately 20 GPa by using six to nine nanotube layers, even if the increase in effective strength of each layer is small. This has advantages over double-walled CNTs, because the effective strength of such CNTs must be approximately 60 GPa to achieve a nominal strength of 20 GPa.

scholarly journals Extracting the inner wall from nested double-walled carbon nanotube by platinum nanowire: molecular dynamics simulations

RSC Advances ◽  
2017 ◽  
Vol 7 (63) ◽  
pp. 39480-39489 ◽  
Author(s):  
Dan Xia ◽  
Yongchao Luo ◽  
Qiang Li ◽  
Qingzhong Xue ◽  
Xiaomin Zhang ◽  
...  
Keyword(s):  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Multi Walled Carbon Nanotubes ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes

The Pt nanowire with proper diameter is able to extract the inner wall/s in nested double-walled/multi-walled carbon nanotubes. For the multi-walled carbon nanotubes, the Pt nanowire with proper diameter can only peel off the outermost wall.

scholarly journals A NOVEL DESIGN OF PERISTALTIC CARBON NANO PUMP AND AN ANALYSIS OF HELIUM FLOW

2021 ◽  
Vol 55 (6) ◽  
Author(s):  
M. Gokhan Günay ◽  
Ubade Kemerli
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Pump Design ◽  
Helium Atoms ◽  
Multi Walled Carbon Nanotubes ◽  
Temperature And Pressure ◽  
Dynamics Simulations ◽  
Walled Carbon Nanotubes ◽  
Novel Design ◽  
Main Carbon

A novel nano-scale pump that can transport atoms or small molecules with a peristaltic motion is designed. It is proven by molecular-dynamics simulations that the introduced nano-pump design works properly. The designed nano-pump consists of one main carbon nanotube named the flow tube and two rotors where multi-walled carbon nanotubes are attached. The pumping of helium atoms by the designed peristaltic carbon nano-pump is investigated by molecular-dynamics simulations. For varying rotor speeds and blade counts, time-averaged velocity, temperature, and pressure results of pumped helium atoms are calculated, and relationships between them are modeled as polynomial surfaces. The results showed that rotor frequency increases the velocity of helium linearly and the temperature and pressure of helium non-linearly. Furthermore, the blade count of the proposed mechanism does not substantially affect the velocity as per the previous studies in the literature.

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