The formation of pentagon-heptagon pair defect by the reconstruction of vacancy defects in carbon nanotube

2008 ◽  
Vol 92 (4) ◽  
pp. 043104 ◽  
Author(s):  
Gun-Do Lee ◽  
C. Z. Wang ◽  
Euijoon Yoon ◽  
Nong-Moon Hwang ◽  
K. M. Ho
Keyword(s):  
Carbon Nanotube ◽  
Vacancy Defects ◽  
Pair Defect

The role of pentagon–heptagon pair defect in carbon nanotube: The center of vacancy reconstruction

2010 ◽  
Vol 97 (9) ◽  
pp. 093106 ◽  
Author(s):  
Gun-Do Lee ◽  
Cai-Zhuang Wang ◽  
Euijoon Yoon ◽  
Nong-Moon Hwang ◽  
Kai-Ming Ho
Keyword(s):  
Carbon Nanotube ◽  
Pair Defect

Formation of carbon nanotube semiconductor-metal intramolecular junctions by self-assembly of vacancy defects

2007 ◽  
Vol 76 (16) ◽  
Author(s):  
Gun-Do Lee ◽  
Cai-Zhuang Wang ◽  
Jaejun Yu ◽  
Euijoon Yoon ◽  
Nong-Moon Hwang ◽  
...  
Keyword(s):  
Carbon Nanotube ◽  
Self Assembly ◽  
Vacancy Defects

MOLECULAR DYNAMICS SIMULATIONS OF CARBON NANOTUBE-BASED OSCILLATORS HAVING TOPOLOGICAL DEFECTS

2011 ◽  
Vol 10 (01n02) ◽  
pp. 355-359 ◽  
Author(s):  
MATUKUMILLI. V. D. PRASAD ◽  
BAIDURYA BHATTACHARYA
Keyword(s):  
Molecular Dynamics ◽  
Carbon Nanotube ◽  
Molecular Dynamics Simulations ◽  
Topological Defects ◽  
Oscillatory Behavior ◽  
Vacancy Defect ◽  
Single Vacancy ◽  
Vacancy Defects ◽  
The Stability ◽  
Dynamics Simulations

Effect of vacancy and Stone–Wales defects on the oscillatory behavior of (5,5)/(10,10) carbon nanotube-based oscillator are studied using NVE molecular dynamics simulations. Results show that defects reduce stability of the oscillators. Effect of single vacancy defect on stability is very small, whereas Stone–Wales defect considerably reduces the stability thereby damping the oscillations quickly. Further increase in density of vacancy defects causes a monotonic decrease of stability of oscillator. In all cases the initial temperature (1 and 300 K) had almost no effect on the oscillation stability.

scholarly journals Compressive Behavior of Carbon Nanotube Reinforced Polypropylene Composites Under High Strain Rate: Insights From Molecular Dynamics

2021 ◽  
Author(s):  
Brijesh Mishra ◽  
Sumit Sharma
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotube ◽  
Strain Rate ◽  
Compressive Strain ◽  
Md Simulations ◽  
Vital Role ◽  
Key Factors ◽  
Single Walled Carbon Nanotube ◽  
Vacancy Defects ◽  
Polypropylene Composites

Abstract Since the discovery of carbon nanotubes (CNTs), these have received a lot of attention because of their unusual mechanical electrical properties. Strain rate is one of the key factors that play a vital role in enhancing the mechanical properties of nanocomposites. In this study, (4, 4) armchair single-walled carbon nanotube (SWCNT) was employed with the polymer matrix as polypropylene (PP). The influence of compressive strain rate on SWCNT/PP nanocomposites was evaluated using MD simulations, and mechanical properties have been predicted. Stone-Wales (SW) and vacancy defects, were integrated on the SWCNT. The maximum Young’s modulus (E) of 81.501 GPa was found for the pristine SWCNT/PP composite for a strain rate of 1010 s-1. The least value of E was 45.073GPa for 6% SW defective/PP composite for a strain rate of 108 s-1. While the 6% vacancy defective CNT/PP composite showed the lowest value of E as 39.57GPa for strain rate 108 s-1. It was found that the mechanical properties of SWCNT/PP nanocomposites decrease with the increase in percent defect. It was also seen that the mechanical properties were enhanced with the increment in the applied strain rate. The results obtained from this study could be useful for the researchers designing PP-based materials for compression loading to be used for biomedical applications.

The impact of vacancy defects on the performance of a single-electron transistor with a carbon nanotube island

2018 ◽  
Vol 18 (2) ◽  
pp. 428-435 ◽  
Author(s):  
Vahideh Khademhosseini ◽  
Daryoosh Dideban ◽  
Mohammad Taghi Ahmadi ◽  
Razali Ismail
Keyword(s):  
Carbon Nanotube ◽  
Single Electron ◽  
Single Electron Transistor ◽  
Vacancy Defects ◽  
The Impact

Atomic Structure and Mechanical Properties of Defective Carbon Nanotube (7,7)

2016 ◽  
Vol 843 ◽  
pp. 78-84
Author(s):  
Sergey Anatolevich Sozykin ◽  
Valeriy Petrovich Beskachko ◽  
G.P. Vyatkin
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotube ◽  
Atomic Structure ◽  
Young Modulus ◽  
Vacancy Defect ◽  
First Principle ◽  
Single Vacancy ◽  
Elongation At Break ◽  
Vacancy Defects ◽  
Defect Type

The article presents the results of first-principle modeling of a defectless (7,7) carbon nanotube and (7,7) nanotubes containing single and double vacancy defects, as well as Stone–Wales defects. These types of defects are often found in real nanotubes and affect their properties. We have established that reliable results can be obtained by using models of more than 1.5 nm in length. It turned out that a single vacancy defect has the least influence on Young modulus, and double n type vacancy defect in the most influential. The elongation at break also depends on the defect type and is 30-60% less than for perfect tubes.

Sign in / Sign up

Export Citation Format

Share Document