Molecular Dynamics and Atomistic Finite Element Simulation Studies of the Effect of Stone-Wales Defects on the Mechanical Properties of Carbon Nanotubes

2013 ◽  
Vol 5 (9) ◽  
pp. 941-951 ◽  
Author(s):  
Monon Mahboob ◽  
M. Zahabul Islam ◽  
Robert L. Lowe ◽  
Stephen E. Bechtel
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Finite Element ◽  
Finite Element Simulation ◽  
Simulation Studies ◽  
Element Simulation

scholarly journals Mechanical Properties of C3N Nanotubes from Molecular Dynamics Simulation Studies

Nanomaterials ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 894 ◽  
Author(s):  
Azam Salmankhani ◽  
Zohre Karami ◽  
Amin Hamed Mashhadzadeh ◽  
Mohammad Reza Saeb ◽  
Vanessa Fierro ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotubes ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation ◽  
Simulation Studies ◽  
Different Types ◽  
Carbon Based Nanomaterials ◽  
C60 Fullerenes ◽  
Carbon Based

Although the properties of carbon nanotubes (CNTs) are very well-known and are still extensively studied, a thorough understanding of other carbon-based nanomaterials such as C3N nanotubes (C3NNTs) is still missing. In this article, we used molecular dynamics simulation to investigate the effects of parameters such as chirality, diameter, number of walls, and temperature on the mechanical properties of C3N nanotubes, C3N nanobuds, and C3NNTs with various kinds of defects. We also modeled and tested the corresponding CNTs to validate the results and understand how replacing one C atom of CNT by one N atom affects the properties. Our results demonstrate that the Young’s modulus of single-walled C3NNTs (SWC3NNTs) increased with diameter, irrespective of the chirality, and was higher in armchair SWC3NNTs than in zigzag ones, unlike double-walled C3NNTs. Besides, adding a second and then a third wall to SWC3NNTs significantly improved their properties. In contrast, the properties of C3N nanobuds produced by attaching an increasing number of C60 fullerenes gradually decreased. Moreover, considering C3NNTs with different types of defects revealed that two-atom vacancies resulted in the greatest reduction of all the properties studied, while Stone–Wales defects had the lowest effect on them.

Design and Simulation of a Kind of Ultrasonic Deicing Acoustic System

2012 ◽  
Vol 203 ◽  
pp. 500-503 ◽  
Author(s):  
Yun Dian Zhang ◽  
Long Shen Han
Keyword(s):  
Mechanical Properties ◽  
Finite Element ◽  
Finite Element Simulation ◽  
Computer Software ◽  
New Method ◽  
Acoustic System ◽  
Element Simulation

Ultrasonic deicing is a new method of deicing. This paper analyzed and designed a kind of ultrasonic deicing acoustic system, then simulated it with the ANSYS, which is a kind of finite element simulation computer software used to do finite element simulation work. The results indicate that the frequency and mechanical properties of the acoustic system meet the expectant demand.

Finite Element Simulation Studies of AISI 304 for Deep Drawing at Various Temperatures

2015 ◽  
Vol 2 (4-5) ◽  
pp. 1978-1986 ◽  
Author(s):  
Lade Jayahari ◽  
Banoth Balunaik ◽  
Amit Kumar Gupta ◽  
Swadesh Kumar Singh
Keyword(s):  
Finite Element ◽  
Finite Element Simulation ◽  
Deep Drawing ◽  
Simulation Studies ◽  
Aisi 304 ◽  
Element Simulation

The Influence of the Substrate on the Mechanical Properties of Si-Doped DLC Thin Films

2008 ◽  
Vol 587-588 ◽  
pp. 839-843 ◽  
Author(s):  
Carlos W. Moura e Silva ◽  
Jose R.T. Branco ◽  
Marta C. Oliveira ◽  
Jorge M. Antunes ◽  
Albano Cavaleiro
Keyword(s):  
Thin Films ◽  
Mechanical Properties ◽  
Finite Element ◽  
Stainless Steel ◽  
Elastic Modulus ◽  
Finite Element Simulation ◽  
Gas Mixtures ◽  
Element Simulation ◽  
Si Doped ◽  
Si Content

In this work, Si-doped DLC films were deposited on stainless steel (316SS) and polycarbonate (PC) substrates by RF-PACVD in gas mixtures of SiH4+CH4, with 2, 5 and 10 vol.% SiH4. The increase of the Si content in the films led to a progressive drop in the hardness from 30 GPa down to 23 GPa whereas the elastic modulus increased from 124 GPa up to 146 GPa, as measured in the SS coated substrates. In the case of coated PC samples pop-in was observed in the loading curve which was interpreted by finite element simulation and nanoscratching techniques.

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