Some Mechanical Properties of Carbon Nanotubes Heterojunctions

Elastic moduli of boron nitride, aluminium nitride and gallium nitride nanotubes using second generation reactive empirical bond order potential

“…All these estimates are also shown in Figure 6. We also plot values of strain energy for CNTs using parameters obtained earlier by this group (Kumar et al, 2011a(Kumar et al, , b, c, 2013(Kumar et al, , 2014a using the same potential with parameters modified to suit that system. Hernandez et al (1999) find that the strain energy of CNT exceeds that of BNNT of same radius.…”

“…Studies on the elastic properties of III-V NNTs using the second generation reactive empirical bond order (REBO) potential have not been reported in the literature. In this study, we computed the elastic properties such as the Young's moduli, Poisson's ratios and Shear Moduli of III-V NNTs using second generation REBO potential by Brenner et al (2002) which is earlier used successfully for carbon nanostructures (Kumar et al, 2011a(Kumar et al, , b, c, 2013(Kumar et al, , 2014a. As this potential is more reliable and reproduces, with the same potential energy (PE) expression, bonding characteristics for solid carbon, nitride nanostructures as well as various hydrocarbon molecules in the fitting database; yields binding energies and bond lengths that are reasonably transferable to systems not included in the fitting database; allows for covalent bond breaking and forming with appropriate changes in atomic hybridization; and is not computationally intensive.…”

Unique structure and new thermophysical properties of poly(ethylene oxide) in nanocomposites based on nanoporous polypropylene matrices

“…Mainstream strategy providing preparation of high-performance polymeric materials is based on the analysis of the structure-property correlation, which reveals the links between supramolecular organization of polymers and resultant photoelectric, 1 thermophysical, 2 optical, 3 mechanical, 4 and other properties. [5][6][7][8][9][10] In the case of semicrystalline polymers, this approach is concerned with so-called crystal engineering strategy due to an unorthodox behavior of polymers upon crystallization. This challenging scientific problem has fueled numerous publications devoted to the preparation of nanostructured materials as nanocomposites, nanotubes, nanorods, thin films, block copolymers, and so forth.…”

“…This challenging scientific problem has fueled numerous publications devoted to the preparation of nanostructured materials as nanocomposites, nanotubes, nanorods, thin films, block copolymers, and so forth. [10][11][12][13][14][15][16][17][18][19][20] When the volume of polymer phases scales down to nanometers, all fundamental properties of polymers are known to be critically changed: glass-transition temperature, crystallization temperature, and heat of crystallization, melting temperature and heat of fusion are reduced. Crystallization within confined nanoscale volume is known to be controlled by the dimensions and morphology of the polymer matrix, by the interaction between the matrix polymer and to-be-crystallized component as well as by the ratio between the rates of nucleation and growth of crystallites.…”

cif2tube – Algorithm for constructing nanotube and nanoscroll models from crystallographic information files

“…Since the discovery of single-walled carbon nanotubes (SWCNTs) in 1992 [1] , nanotubes have been the subject of considerable interest, due to their one-dimensional microstructure and unique mechanical [2][3][4][5][6][7] , thermal [8][9][10] , electrical [11][12][13][14][15][16][17] , and mass transport properties [18,19] . Over the past two decades, SWCNTs have been implemented in a variety of applications, including sensors [20][21][22] , power generation systems, nanocomposite materials [23,24] , and molecular separation [19,25] .…”