Molecular dynamics simulation of mechanical, vibrational and electronic properties of carbon nanotubes

Prylutskyy, Yu. І.; Durov, S. S.; Ogloblya, O. V.; Buzaneva, E. V.; Scharff, P.

doi:10.1016/s0927-0256(00)00051-3

Cited by 78 publications

(22 citation statements)

References 5 publications

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“…Most of the researchers' efforts have been focused on the study of the electrical properties of SWCNTs, while the mechanical properties have been studied much less frequently. The experimental works have been related to single nanotube types for which the defined values of individual elastomechanical constants are given or the mechanical properties of mixtures of nanotubes of different types are characterized in very general terms [2][3][4]. This brief paper presents the results of systematic studies of the mechanical properties of nanotubes with all chiralities starting from (5,0) to (20,20) and additionally (0, 25), (0, 30), (0, 35), (0, 40), (0, 45) and (25, 25), corresponding to the diameters of 4.2 Å to 34.6 Å, respectively.…”

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confidence: 99%

Mechanical Properties of Single-walled Carbon Nanotubes Simulated with AIREBO Force-Field

Białoskórski¹

2012

CMST

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confidence: 99%

Mechanical Properties of Single-walled Carbon Nanotubes Simulated with AIREBO Force-Field

Białoskórski¹

2012

CMST

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“…Since E E r m −1 is defined by (36) for nanocomposites, condition (40) is automatically satisfied. Thus, we have proved that condition (4) applies to nanocomposites.…”

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confidence: 99%

Developing a Compressive Failure Theory for Nanocomposites

2005

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The paper addresses a compressive-failure theory for polymer-matrix nanocomposites in the case where failure onset is due to microbuckling. Two approaches based on the three-dimensional linearized theory of stability of deformable bodies are applied to laminated and fibrous nanocomposites. According to the first approach (continuum compressive-failure theory), nanocomposites are modeled by a homogeneous anisotropic medium with effective constants, including microstructural parameters. The second approach uses the piecewise-homogeneous model, three-dimensional relations for fibers (CNT) and matrix, and continuity conditions at the fiber-matrix interface. The compressive-failure theory is used to solve specific problems for laminated and fibrous nanocomposites. Some approximate failure theories based on the one-and two-dimensional applied theories of stability of rods, plates, and shells are analyzed Keywords: nanocomposites, CNT fiber, polymer matrix, compressive failure, microbuckling, three-dimensional linearized theory of stability of deformable bodiesIntroduction. Today's literature on the fracture mechanics of composites considers the paper [17] to be the first to describe, in 1960, fiber microbuckling as a compressive failure mechanism for unidirectional fibrous composites. In the years that followed, several authors set forth different approximate models for the quantitative and qualitative description of this mechanism. These models are based on a number of assumptions and hypotheses, of which the following are worth mentioning: no (neglected) subcritical stresses in the matrix, use of applied one-and two-dimensional theories of stability of rods and plates to study microbuckling, modeling of the matrix by a one-dimensional elastic object, etc.The paper [14] was apparently the first to propose, in 1965, a highly approximate model for the quantitative description of microbuckling in composites within the framework of a plane problem (in fact, the fibrous composite was modeled by a laminated composite), using the above-mentioned assumptions and hypotheses (the same results were reported in [14]). Despite the highly approximate model, the results from [14] were used in many publications, including the seven-volume collective monograph [13], and are generally recognized and widely cited. In the literature on the fracture mechanics of composites (see, e.g., [15]), these results are named the Dow-Gruntfest-Rosen-Schuerch theory, after the authors of the first publications [14,17,45,46].Thus, to describe the failure mechanism in question [17], we need a stability theory for unidirectional fibrous composites (Fig. 1) or laminated composites (Fig. 2) subjected to axial compression. The paper [17] addressed a fibrous composite; thus, it is expedient to construct a stability theory for the material represented in Fig. 1. In this connection, a stability theory for laminated composites (Fig. 2) is to be developed to attain two ends (two different cases). In the first case, a stability theory is needed to describe the f...

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“…5. TiO 2 , Nano particles [50][51][52], Al 2 O 3 Nano particles [53][54][55], ZrO 2 Nano particles [55], Fe 2 O 3 Nano particle [53,[55][56][57], SiO 2 Nanoparticle [52,53,[56][57][58][59][60][61] and Nano clay [21][22][23][24], inclusion in to the cement and concrete specimens shows improved mechanical properties. 6.…”

Section: Metal Oxide Nano Particle Additionsmentioning

confidence: 99%

Usage of Carbon nanotubes and nano fibers in cement and concrete: A review

A¹,

Shanmugasundaram²

2017

IJET

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Abstract-Carbon Nanotubes (CNTs) are basic carbon consisting of curved graphene layer which consists of a single layer of atoms in a combined hexagonal structure. After plenty of years several characterization of the carbon Nanotubes has become very popular in various applications in civil engineering. Carbon Nanotubes shows good results in terms of mechanical properties of cement mortar when added to it. Literature has showed that carbon Nanotubes can be used in the manufacture of the concrete and the cement pastes. This paper represents the summary of the various research works on the usage of the carbon nanotubes in cement paste, mortars and concrete.

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Molecular dynamics simulation of mechanical, vibrational and electronic properties of carbon nanotubes

Cited by 78 publications

References 5 publications

Mechanical Properties of Single-walled Carbon Nanotubes Simulated with AIREBO Force-Field

Mechanical Properties of Single-walled Carbon Nanotubes Simulated with AIREBO Force-Field

Developing a Compressive Failure Theory for Nanocomposites

Usage of Carbon nanotubes and nano fibers in cement and concrete: A review

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