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.

scholarly journals Improving the mechanical properties of single-walled carbon nanotube sheets by intercalation of polymeric adhesives

2003 ◽  
Vol 82 (11) ◽  
pp. 1682-1684 ◽  
Author(s):  
Jonathan N. Coleman ◽  
Werner J. Blau ◽  
Alan B. Dalton ◽  
Edgar Muñoz ◽  
Steve Collins ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotube ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon

Single-walled carbon nanotube-derived novel structural material

2006 ◽  
Vol 21 (6) ◽  
pp. 1537-1542 ◽  
Author(s):  
Go Yamamoto ◽  
Yoshinori Sato ◽  
Toru Takahashi ◽  
Mamoru Omori ◽  
Toshiyuki Hashida ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotube ◽  
Interfacial Strength ◽  
Temperature Treatment ◽  
High Temperature Treatment ◽  
Processing Temperature ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Plasma Sintering ◽  
Spark Plasma

Binder-free macroscopic single-walled carbon nanotube (SWCNT) solids were prepared by spark plasma sintering (SPS) of purified SWCNTs. The effects of processing temperatures and pressures on the mechanical properties of the SWCNT solids and structural change of SWCNTs in the SWCNT solids were investigated. Transmission electron microscope observation of the SWCNT solids revealed thatthe high-temperature treatment has transformed some part of the SWCNTs into amorphous-like structure and the rest of the SWCNTs remained buried into the above structure. The mechanical properties of the SWCNT solids increased with the increasing processing temperature, probably reflecting the improvement of interfacial strength between SWCNTs and disordered structure of carbon due to the spark plasma generated in the SPS process.

Mechanical properties of binder-free single-walled carbon nanotube solids

2006 ◽  
Vol 54 (2) ◽  
pp. 299-303 ◽  
Author(s):  
Go Yamamoto ◽  
Yoshinori Sato ◽  
Toru Takahashi ◽  
Mamoru Omori ◽  
Akira Okubo ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Carbon Nanotube ◽  
Single Walled Carbon Nanotube ◽  
Single Walled Carbon ◽  
Binder Free

scholarly journals Simulating Molecular Interactions of Carbon Nanoparticles with a Double-Stranded DNA Fragment

2015 ◽  
Vol 2015 ◽  
pp. 1-6 ◽  
Author(s):  
Zhuang Wang ◽  
Hao Fang ◽  
Se Wang ◽  
Fan Zhang ◽  
Degao Wang
Keyword(s):  
Carbon Nanotube ◽  
Quantum Dot ◽  
Molecular Interactions ◽  
Carbon Nanoparticles ◽  
Large Scale ◽  
Electrostatic Force ◽  
Md Simulations ◽  
Single Walled Carbon Nanotube ◽  
Double Stranded Dna ◽  
Dna Fragment

Molecular interactions between carbon nanoparticles (CNPs) and a double-stranded deoxyribonucleic acid (dsDNA) fragment were investigated using molecular dynamics (MD) simulations. Six types of CNPs including fullerenes (C60and C70), (8,0) single-walled carbon nanotube (SWNT), (8,0) double-walled carbon nanotube (DWNT), graphene quantum dot (GQD), and graphene oxide quantum dot (GOQD) were studied. Analysis of the best geometry indicates that the dsDNA fragment can bind to CNPs through pi-stacking and T-shape. Moreover, C60, DWNT, and GOQD bind to the dsDNA molecules at the minor groove of the nucleotide, and C70, SWNT, and GQD bind to the dsDNA molecules at the hydrophobic ends. Estimated interaction energy implies that van der Waals force may mainly contribute to the mechanisms for the dsDNA-C60, dsDNA-C70, and dsDNA-SWNT interactions and electrostatic force may contribute considerably to the dsDNA-DWNT, dsDNA-GQD, and dsDNA-GOQD interactions. On the basis of the results from large-scale MD simulations, it was found that the presence of the dsDNA enhances the dispersion of C60, C70, and SWNT in water and has a slight impact on DWNT, GQD, and GOQD.

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