Index
Note: Page numbers followed by “f” and “t” refer to figures and tables, respectively.
A
Antibonding molecular orbitals,
56,
66
on mechanical behaviors of carbon nanocones (CNCs),
436–438
Arc-discharge evaporation method, , ,
critical diameters versus tube lengths for,
240f
fundamental frequencies of,
240f
bifurcation strain for,
216f
critical diameters versus tube lengths for,
240f
Atomic finite element method,
249–250
coupling with atomistic-continuum method,
251–254
bridging domain method,
252
Atomic structure of CNTs, ,
3–5
coupling of atomic finite element method with,
251–254
bridging domain method,
252
Bernoulli–Euler beam model,
216–221
buckling and postbuckling behaviors,
186–207
axial buckling and postbuckling behaviors of SWCNTs,
206–207
buckling behavior of SWCNTs upon bending,
198–206
hydrostatic pressure-induced structural transitions of SWCNTs,
186–190
torsional buckling of SWCNTs,
193–198
bifurcation strain and fracture strength,
214–216
Young’s modulus of SWCNT,
214
advantages and disadvantages of,
143–144
algorithm, stability of,
181
discrete equation, integration scheme for,
178–179
domain of influence (DOI) of nodes,
168–169
equilibrium solution, procedures for,
181–182
essential boundary conditions, enforcement of,
179–181
mesh-free shape function,
168
single-walled carbon nanotubes (SWCNTs),
150–159
pressure–radial strain curve,
158–159
analysis of free vibration characteristic of carbon nanostructures,
227
atomistic simulation,
228
chiral effect and critical diameter,
232–240
free vibration frequency, edge effect on,
230–232
global buckling of SWCNTS under,
222–225
B
nonlocal elastic beam models for flexural wave propagation in DWCNTs,
306–309
Bernoulli–Euler beam-bending theory,
261
Bifurcation strain and fracture strength,
214–216
Boron nitride nanotubes (BNNTs),
398–399
Bravais multilattice,
146,
210
Bridging domain method,
252
axial buckling and postbuckling behaviors of SWCNTs,
206–207
critical buckling curvature,
202–206
effect of loading methods,
202
buckling behavior of SWCNTs upon bending,
198–206
hydrostatic pressure-induced structural transitions of SWCNTs,
186–190
torsional buckling of SWCNTs,
193–198
particular case of DWCNTs without vdW interaction,
268–269
vdW interaction after buckling,
273–275
vdW interaction before buckling,
272–273
Buckling of CNTs bundles,
97–118
axial compression, CNT bundles under,
104–108
axial tension, CNT bundles under,
102–104
C
effect of apex angle on mechanical behaviors of,
436–438
effect of cutting tip’s length on buckling of,
439–441
critical tension displacements,
419–421
molecular dynamics (MD) simulation,
412
Carbon nanostructures, analysis of free vibration characteristic of,
227
Chemical vapor deposition (CVD), ,
25,
27,
388
Chiral single-walled carbon nanotubes, bifurcation strain for,
217f,
217f
Close-capped single-walled CNTs,
128–129
Coatings and films,
37–38
Coaxial CNTs inside boron–nitride nanotube, structural stability of,
87–97
electronic structure and bonding model,
95–97
structural parameters,
89–92
Commercial suppliers of CNTs,
Companies developing and/or selling CNT products,
9t
Complex Bravais crystals,
141
Composite materials,
36–37
Computational model,
49–53
DWCNTs with vdW interaction,
269–272
explicit solution for DWCNTs,
267–268
particular case of DWCNTs without VDW interaction,
268–269
vdW interaction after buckling,
273–275
vdW interaction before buckling,
272–273
nonlocal beam and rod models for vibration of SWCNTs,
302–306
nonlocal elastic beam models for flexural wave propagation in DWCNTs,
306–309
nonlocal elastic shell model,
309–311
van der Waals interaction, explicit formulas for,
263–264
vibration characteristics of CNTs,
281–298
Donnell shell model for the vibration of MWCNT,
281–283
radial vibration analysis of MWCNT,
283–298
vibration characteristics of CNTs,
311–317
nonlocal elastic beam models for flexural wave propagation,
317–324
nonlocal shell model for elastic wave propagation,
324–331
atomistic-continuum theory,
146–150
Contribution ratio of the higher-order terms,
224,
225f,
225f
driving water molecules along a diameter-gradient SWCNT,
348–355
driving water molecules along a SWCNT,
340–348
Covalently carbon hexagonal network,
1–2
Cutting tip’s length, effect of
on buckling of carbon nanocones (CNCs),
439–441
Cyclohexylpyrrolidone (CHP),
31–32
D
Density functional theory (DFT),
54,
61,
61–62
Development and current situation of CNTs,
Diffuse element method (DEM),
142
Dimethylformamide (DMF),
31–32
Direct imposition method (DIM),
179–180
Discrete equation, integration scheme for,
178–179
Donnell shell model for vibration of MWCNT,
263,
281–283
nonlocal elastic beam models for flexural wave propagation in,
306–309
particular case of DWCNTs without VDW interaction,
268–269
Driving water molecules
along a diameter-gradient SWCNT,
348–355
E
Elastic properties of CNTs,
54–76
effects of vacancy defect reconstruction on elastic properties,
60–68
effects on Young’s modulus of single-walled CNTs,
67–68
in single-walled CNTs,
62–67
Young’s moduli of single-walled CNTs with grafts,
68–76
Young’s modulus of single-walled CNTs with impurities,
54–60
analysis of the results,
55–60
effect of impurities on single-walled CNTs,
54
model of SWCNTs with impurities,
54
Elastic wave propagation, nonlocal shell model for,
324–331
Electron paramagnetic resonance spectroscopy (EPR),
32
Element-free Galerkin (EFG) method,
142
Energy storage and environment,
38–39
Essential boundary conditions, enforcement of,
179–181
Experimental tools in preparing and testing CNTs,
23
application prospect and researching significance,
35–40
coatings and films,
37–38
composite materials,
36–37
energy storage and environment,
38–39
mechanical properties of CNTs,
33–35
preparation methods,
24–27
arc discharge and laser ablation,
24–25
chemical vapor deposition,
25
growth mechanism of CNTs,
26
testing technologies,
27–33
other characterization techniques,
32–33
photoluminescence (PL) spectroscopy,
32
Raman spectroscopy,
28–30
UV-Vis-nIR absorption spectroscopy,
30–32
F
Flexural wave propagation, nonlocal elastic beam models for,
317–324
bifurcation strain and fracture strength,
214–216
equilibrium equation for CNT,
213
Young’s modulus of SWCNT,
214
Free vibration frequency, edge effect on,
230–232
Frequency shift, analysis of,
370–380
G
Gas adsorption properties of CNTs,
355–356
Gauss integral method,
220
Gaussian quadrature rule,
179
Global buckling of SWCNTS under axial compression,
222–225
Gram-Schmidt orthogonalization method,
179–180
Graphene nanoribbons (GNRs),
396
Graphene–polymer nanocomposites,
403
Growth mechanism of CNTs,
26
H
Hamilton’s principle,
227,
370
Hexagonal boron nitride (h-BN) sheets,
398–399
Higher-order Cauchy–Born rule,
145
High-quality CNTs,
Hydrocarbon gases,
computational methodology and physical models,
357–359
enthalpies and free energies of the reaction,
363–368
reaction pathway of atomic hydrogen interaction with CNT,
359–363
I
Indium tin oxide (ITO),
37–38
Intertube van der Waals force,
110,
111f
K
Kronecker delta property,
179
L
Laser ablation technique, ,
24–25
Lennard–Jones potential,
53,
263
M
analysis of resonant frequency and frequency shift,
370–380
initial equilibrium SWCNC,
370
Mass production, ,
MATERIALS STUDIO molecular modeling software packages,
340
Maximum rising angle (MRA),
428,
428
Maxwell speed distribution,
67–68
Maxwell–Boltzmann distribution,
412
Maxwell–Boltzmann law,
126
Mechanical behaviors of CNTs, theories for,
12–16
atomistic simulations,
12–13
Mechanical properties of CNTs,
33–35
advantages and disadvantages of,
143–144
algorithm, stability of,
181
discrete equation, integration scheme for,
178–179
domain of influence (DOI) of nodes,
168–169
equilibrium solution, procedures for,
181–182
essential boundary conditions, enforcement of,
179–181
mesh-free shape function,
168
moving least-squares approximation,
161–163
Modified variational principle,
143
buckling of CNTs bundles,
97–118
CNT bundles under axial compression,
104–108
CNT bundles under axial tension,
102–104
close-capped single-walled CNTs,
128–129
computational model,
49–53
elastic properties of CNTs,
54–76
effects of vacancy defect reconstruction on elastic properties,
60–68
Young’s moduli of single-walled CNTs with grafts,
68–76
Young’s modulus of single-walled CNTs with impurities,
54–60
open-ended multiwalled CNTs,
133–135
open-ended single-walled CNTs,
130–132
structural stability and buckling of CNTs,
76–97
structural stability of coaxial CNTs inside boron–nitride nanotube,
87–97
SWCNTS and MWCNTs, buckling of,
76–87
Molecular mechanics (MM) simulations,
416
Multiwalled CNTs (MWCNTs),
6–12,
34,
34,
38–39,
81–87,
261,
261,
262–263,
266–267,
301
development and current situation of,
Donnell shell model for vibration of,
281–283
radial vibration analysis of,
283–298
explicit solution for DWCNT,
283–285
explicit solution for TWCNT,
285–298
stress–strain curves for individual MWCNTs,
35f
N
Nanoelectromechanical systems (NEMS),
335
Newton’s second law,
49–50
Newton–Raphson method,
181
N-methylpyrrolidone (NMP),
31–32
Nodal interpolation method (NIM),
179–180
Nonlocal elastic beam models
for flexural wave propagation,
317–324
for flexural wave propagation in DWCNTs,
306–309
Nonlocal elastic shell model,
309–311
Nonlocal shell model for elastic wave propagation,
324–331
O
Open-ended multiwalled CNTs,
133–135
Organic light-emitting diode (OLED) displays,
38
P
Photoluminescence (PL) spectroscopy,
32
Postbuckling behaviors of SWCNTs,
206–207
Preparation methods,
24–27
arc discharge and laser ablation,
24–25
chemical vapor deposition,
25
growth mechanism of CNTs,
26
Pressure–radial strain curves, of SWCNTs,
158–159
Producers of CNT powders and dispersions,
7t
Q
Quantum generalized tight-binding MD (GTBMD),
76–77
Quantum mechanics (QM) treatment,
356–357
R
Radial breathing mode (RBM),
28,
29f
Radial vibration analysis of MWCNT,
283–298
explicit solution for DWCNT,
283–285
explicit solution for TWCNT,
285–298
Ru’s vdW interaction model,
261–262
S
Scanning probe microscopy (SPM),
391–392
Scanning tunneling microscopy (STM),
6–12
Selected-area electron diffraction (SAED),
32–33
Single vacancy defect ratio
effect of, on Young’s modulus of SWCNTs,
67–68
Single-atom vacancy defect, tensile failure of SWCNTs with,
256–257
Single-walled carbon nanotubes (SWCNTs), , ,
3f,
26,
34,
76–81,
117,
141,
256,
256f,
261,
261,
262–263,
301,
305–306,
335,
336–337,
411
buckling behavior of SWCNTs upon bending,
198–206
critical buckling curvature,
202–206
effect of loading methods,
202
calculation model of,
55f
chirality and diameter of,
3–4
diameter-gradient
driving water molecules along,
348–355
driving water molecules along,
340–348
effect of impurities on,
54
effect of single vacancy defect ratio on Young’s modulus of,
67–68
equilibrium equation for CNT,
213
global buckling of, under axial compression,
222–225
with grafts, Young’s moduli of,
68–76
hydrostatic pressure-induced structural transitions of,
186–190
with impurities, Young’s modulus of,
54–60
nonlocal beam and rod models for vibration of,
302–306
structural and elastic properties of,
150–159
pressure–radial strain curve,
158–159
tensile failure of, with single-atom vacancy defect,
256–257
Young’s modulus of SWCNT,
214
Smooth particle hydrodynamics (SPH) method,
142,
142
Sodium dodecylbenzenesulfonate (SDBS),
31–32
Strain energy versus the bending angle,
185f
Stress–strain curves for individual MWCNTs,
35f
Structural stability and buckling of CNTs,
76–97
structural stability of coaxial CNTs inside boron–nitride nanotube,
87–97
SWCNTS and MWCNTs, buckling of,
76–87
Substrate-based growth techniques,
388
T
Technologically relevant applications,
335
driving water molecules along a diameter-gradient SWCNT,
348–355
driving water molecules along a SWCNT,
340–348
computational methodology and physical models,
357–359
enthalpies and free energies of the reaction,
363–368
reaction pathway of atomic hydrogen interaction with CNT,
359–363
analysis of resonant frequency and frequency shift,
370–380
initial equilibrium SWCNC,
370
tensile failure of SWCNTs with single-atom vacancy defect,
256–257
Thermal conductivity of CNTs,
23
Thermogravimetric analysis (TGA),
26
Thin film spectroscopy,
31–32
Torsional buckling of SWCNTs,
193–198
Transmission electron microscopy (TEM),
26
Twisted CNT bundles under axial compression,
110–112
twisted CNT bundles under axial tension,
112–118
Twisting effects of CNTs bundles,
109–118
2-D graphene and white graphene,
387
graphene–polymer nanocomposites,
403
fundamental properties and general behaviors,
393–398
mechanical properties,
394
preparation methods and testing technologies,
389–393
characterizing graphene flakes,
390–391
scanning probe microscopy (SPM),
391–392
recent research advance in,
398–399
U
Universal force field (UFF),
88–89
UV-Vis-nIR absorption spectroscopy,
30–32
V
Vacancy defect reconstruction
effects on elastic properties,
60–68
Van der Waals (VdW) interaction,
105–107
particular case of DWCNTs without vdW interaction,
268–269
Velocity Verlet integration,
412
Donnell shell model for vibration of MWCNT,
281–283
radial vibration analysis of MWCNT,
283–298
explicit solution for DWCNT,
283–285
explicit solution for TWCNT,
285–298
Voltage-contrast SEM (VC-SEM) images electronic conduction pathways,
32–33
W
Water molecules, driving
along a diameter-gradient SWCNT,
348–355
nonlocal elastic beam models for flexural wave propagation,
317–324
nonlocal shell model for elastic wave propagation,
324–331
X
X-ray photoelectron spectroscopy (XPS),
32
Y
Z
Zigzag single-walled carbon nanotubes,
153–154
bifurcation strain for,
215f