A molecular dynamics simulation of the mechanical characteristics of a C60-filled carbon nanotube under nanoindentation using various carbon nanotube tips

Wu, Cheng-Da; Fang, Te-Hua; Chan, Chi-Yu

doi:10.1016/j.carbon.2011.01.034

Cited by 46 publications

(16 citation statements)

References 35 publications

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“…(a) (10,10) (b) (11,11) (c) (13,13) (d) (15,15) The stress-strain curve of GNR@SWCNT with different chiralities of SWCNT under uniaxial tension at 300 K is shown in Fig. 3.…”

Section: The Size Effectmentioning

confidence: 98%

“…They found that the critical strain of SWCNT completely filled with Ni atoms is larger than that of the tube completely filled with Cu or Pt atoms. Wu et al [10] used MD simulations to investigate the mechanical characteristics of SWCNT filled with C 60 fullerenes and obtained that the elastic energy, plastic energy, loading force, and Young's modulus of a C 60 -filled SWCNT were inversely proportional to temperature.…”

Section: Introductionmentioning

confidence: 99%

“…Continuum theories also fail to understand complex nanocomposites. Over the last years, several researchers have studied the mechanical properties of CNTs filled with different atoms using MD simulations [8][9][10][11]. For example, Wang et al [8] studied the buckling deformation of single-wall carbon nanotubes (SWCNTs) filled with Ni, Cu, and Pt atoms under axial compression using MD simulations.…”

Section: Introductionmentioning

confidence: 99%

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Tensile fracture of graphene nanoribbons encapsulated in single-walled carbon nanotubes

et al. 2016

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In this paper, we performed molecular dynamics simulations to study the fracture characteristics of a graphene nanoribbon encapsulated in a single-walled carbon nanotube (GNR@SWCNT) subjected to a uniaxial tensile loading. The effects of size and temperature on the fracture strength of nanocomposites under different strains were examined. The fracture strength and fracture strain of the nanocomposites increase with decreasing nanotube diameter. The maximum fracture strength and the corresponding fracture strain of GNR@SWCNT with a (10, 10) nanotube at 300 K were 126.3 GPa and 0.36, respectively. However, the fracture strength and fracture strain decrease with increasing temperature. The simulation results are useful in the design of nanodevices composed of carbon nanotubes and graphene nanoribbons.

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“…(a) (10,10) (b) (11,11) (c) (13,13) (d) (15,15) The stress-strain curve of GNR@SWCNT with different chiralities of SWCNT under uniaxial tension at 300 K is shown in Fig. 3.…”

Section: The Size Effectmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Tensile fracture of graphene nanoribbons encapsulated in single-walled carbon nanotubes

et al. 2016

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“…To our knowledge, there are only very few studies on the mechanical property of the nanocomposite. In the last years, several researchers have reported on the mechanical characteristics of the GNRs or CNTs by using the molecular dynamics (MD) simulations of nanoindentation [12][13][14][15]. For example, Wu et al [12] investigated the mechanical characteristics of a SWCNT filled with C 60 fullerene Page 5 of 21 A c c e p t e d M a n u s c r i p t 4 using nanoindentation MD simulations.…”

Section: Introductionmentioning

confidence: 99%

“…In the last years, several researchers have reported on the mechanical characteristics of the GNRs or CNTs by using the molecular dynamics (MD) simulations of nanoindentation [12][13][14][15]. For example, Wu et al [12] investigated the mechanical characteristics of a SWCNT filled with C 60 fullerene Page 5 of 21 A c c e p t e d M a n u s c r i p t 4 using nanoindentation MD simulations. They obtained that the loading force, Young's modulus, elastic energy, and plastic energy of a C 60 -filled CNT were inversely proportional to the temperature, and they were proportional to the indentation velocity and tip size.…”

Section: Introductionmentioning

confidence: 99%

Mechanical characteristics of graphene nanoribbons encapsulated in single-walled carbon nanotubes using molecular dynamics simulations

Fang

Chang

Feng

2015

Applied Surface Science

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Study of deformation and shape recovery of NiTi nanowires under torsion

Sung

Fang

2013

J Mol Model

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The nanomechanical properties, deformation, and shape recovery mechanism of NiTi nanowires (NWs) under torsion are studied using molecular dynamics simulations. The effects of loading rate, aspect ratio of NWs, and NW shape are evaluated in terms of atomic trajectories, potential energy, torque required for deformation, stress, shear modulus, centro-symmetry parameter, and radial distribution function. Simulation results show that dislocation nucleation starts from the surface and then extends to the interior along the {110} close-packed plane. For a high loading rate, the occurrence of torsional buckling of a NW is faster, and the buckling gradually develops near the location of the applied external loading. The critical torsional angle and critical buckling angle increase with aspect ratio of the NWs. Square NWs have better mechanical strength than that of circular NWs due to the effect of shape. Shape recovery naturally occurs before buckling.

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A molecular dynamics simulation of the mechanical characteristics of a C60-filled carbon nanotube under nanoindentation using various carbon nanotube tips

Cited by 46 publications

References 35 publications

Tensile fracture of graphene nanoribbons encapsulated in single-walled carbon nanotubes

Tensile fracture of graphene nanoribbons encapsulated in single-walled carbon nanotubes

Mechanical characteristics of graphene nanoribbons encapsulated in single-walled carbon nanotubes using molecular dynamics simulations

Study of deformation and shape recovery of NiTi nanowires under torsion

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