Buckling Failure Analysis of Defective Carbon Nanotubes Using Molecular Dynamics Simulation

Goel, Mohit; Harsha, S. P.; Mishra, Mayank; Mishra, R. K.

doi:10.1007/s11668-020-00886-x

Cited by 9 publications

(8 citation statements)

References 39 publications

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“…Table 2 shows that armchair (7, 7) and zigzag (12, 0) have similar frequencies at different L/D. However, chiral SWCNTs (8, 6), (9, 5), (10,4), (11,2) have different frequencies, more at L/D-7 (À 23.52%, À 58.8%, À 5.88%, À 8.83% resp.) compared to that for L/D-10 (À 11.02%, À 11.02%, À 5.67%, À 11.02% resp.).…”

Section: Effect Of Chiralitymentioning

confidence: 98%

“…In order to study the effect of the chirality, SWCNTs with chiral indices (7, 7), (8, 6), (9, 5), (10,4), (11,2) and (12,0) with fixed-free boundary condition are simulated under identical conditions and their frequencies are presented in Table 2. This set of SWCNTs with chiral indices is chosen so that SWCNTs have approximately the same diameters and lengths.…”

Section: Effect Of Chiralitymentioning

confidence: 99%

“…Owing to the remarkable mechanical and vibrational characteristics of single-walled carbon nanotubes (SWCNTs), nanomechanical resonators made of carbon nanotubes have attracted much attention [1][2][3][4][5]. These resonators can generate ultra-high resonant frequencies up to the order of giga hertz [6] making them ideal candidates for applications in nanosensors for detection of atoms/molecules [7], biomedical sensors, nanopumping devices for molecular transportation [8], mass detectors [9,10], etc.…”

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

Influence of Various Defect Parameters on the Vibration Characteristics of a Single-Walled Carbon Nanotube

Goel

Harsha

Mishra

et al. 2020

J Fail. Anal. and Preven.

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Free vibration response of the single-walled carbon nanotubes (SWCNTs) is investigated using molecular dynamics simulation. Vibrational analysis is performed to study the effects of various defect parameters such as aspect ratio, chirality, presence of vacancy defects, numbers of defects and their position along the length of the SWCNT. The effects of these features on the natural vibration of SWCNTs are studied by determining the change in fundamental natural frequencies due to these features. Dynamics simulations are performed for cantilever boundary condition. Vibrational response obtained through molecular dynamic simulations indicates that shorter tubes offer higher vibrational sensitivity. Chirality effect is found to diminish with the increase in the length of tube. It is also found that the number of defects and their position along the tube affect greatly the natural frequency of the SWCNT. This study will provide invaluable input to the designers and users of carbon nanotube in the field of high-sensitive sensor application.

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Section: Effect Of Chiralitymentioning

confidence: 98%

Section: Effect Of Chiralitymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Influence of Various Defect Parameters on the Vibration Characteristics of a Single-Walled Carbon Nanotube

Goel

Harsha

Mishra

et al. 2020

J Fail. Anal. and Preven.

Self Cite

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“…Cluster analysis refers to the process of grouping data by analyzing the characteristics of each data for a batch of unknown data sets and aggregating data with similar or identical characteristics. The main process of cluster analysis can be divided into the following four steps [ 26 , 27 ]: Data standardization processing: The purpose of data standardization is to prevent the existence of large data or data with different units in data:

where the S is the standard deviation and

is the mean value. Construct the relation matrix: Using the index of squared Euclidean distance to construct the relation matrix of standardized data:

In the formula, ( i ) represents the mean value of the i -th cluster.…”

Section: Simulation Cluster Analysismentioning

confidence: 99%

Clustering Analysis Algorithm of Volleyball Simulation Based on Radial Fuzzy Neural Network

Yan

Wang

2022

Computational Intelligence and Neuroscience

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Aiming at a series of problems existing in volleyball, based on radial fuzzy neural network theory, the optimized simulation clustering analysis algorithm is used to monitor and analyze volleyball. By analyzing the feature weights of nodes at different stages, the optimal radial fuzzy neural network was constructed, which was combined with the simulation clustering algorithm to obtain the relevant optimization model describing volleyball. The accuracy of the optimization model is verified by comparing with the original model. The results show that with the increase of response, the response curves of different algorithms show fluctuation. Among them, the fluctuation range of MPDR (minimum power distortionless response) algorithm is larger, and the value of the curve obtained by MVDR (minimum variance distortionless response) algorithm differs greatly from that of the optimization algorithm at some key nodes, while the beam changing chart obtained by the optimization algorithm can better reflect the changing trend of the beam. Model indexes under different algorithms are different. When the number of iterative steps is less than 30, indexes under different algorithms are all greater than the standard value. When the number of iterations is more than 30, the indexes under different algorithms are all less than the standard value. Through verification, it can be seen that the original model can only describe the first stage of volleyball, while the optimization model can describe the whole process of volleyball. It shows that the optimization model can be used to describe and analyze volleyball-related data. And the algorithm can be used to better predict and analyze volleyball, and the analysis results can provide relevant guidance for volleyball. The optimization model provides basis and theoretical support for the application of volleyball simulation clustering algorithm, so as to better promote volleyball and better guide the movement.

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“…This drop occurs as a result of significant structural and geometrical variations of Carbon Nanotubes associated with the energy release of CNTs. In another study by Goel et al [18] simulations were made on LAMMPS to carry out axial compression of pristine CNT where it was observed that before buckling compressive force linearly varies with axial strain and strain energy.…”

Section: Introductionmentioning

confidence: 99%

Molecular Dynamics Simulation of Carbon and Boron Nitride nanotubes: Tensile and Compressive Behavior

Bedi

Sharma

et al. 2022

IOP Conf. Ser.: Mater. Sci. Eng.

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In this paper, the mechanical properties of Carbon nanotubes (CNTs) and Boron Nitride nanotubes (BNNTs) are studied systematically by using molecular dynamics simulations. CNTs are considered semi-metallic, whereas the BNNTs, of the large band gap, are considered to be insulators, regarding the difference in the electrical properties of CNTs and BNNTs; comparing the mechanical properties of both nanotubes offers great scientific significance for their prospective applications. The simulations were carried out with the help of a Large-scale atomic/molecular massively parallel simulator (LAMMPS) and were based on the Airebo and Tersoffs force fields for C-C interaction in CNTs and B-N interaction in BNNTs, respectively. Failure behavior of armchair and zigzag CNTs and BNNTs under tensile and compressive loading has been predicted and observed that for both the nanotubes the armchair nanotubes showed higher tensile and compressive strength as compared to zigzag nanotubes. The maximum tensile and compressive strength for CNTs is 205 GPa and 35.62 GPa respectively and for BNNTs are 159 GPa and 24.81 GPa respectively. CNTs are identified as axially stronger and stiffer than BNNTs for the same diameter under identical loading conditions.

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Buckling Failure Analysis of Defective Carbon Nanotubes Using Molecular Dynamics Simulation

Cited by 9 publications

References 39 publications

Influence of Various Defect Parameters on the Vibration Characteristics of a Single-Walled Carbon Nanotube

Influence of Various Defect Parameters on the Vibration Characteristics of a Single-Walled Carbon Nanotube

Clustering Analysis Algorithm of Volleyball Simulation Based on Radial Fuzzy Neural Network

Molecular Dynamics Simulation of Carbon and Boron Nitride nanotubes: Tensile and Compressive Behavior

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