Abstract The structural and electrostatic properties of the single-walled two representative (8, 0) zigzag and (4, 4) armchair models of pristine and GaAs-doped on boron phosphide nanotubes (BPNTs) was investigated by calculating the nuclear magnetic resonance tensors and with performing the density function theory. The geometrical structures of all representative pristine and GaAs-doped mode...

In this research, the influence of structure on the tensile properties of single- walled carbon nanotubes (CNTs) is evaluated using molecular mechanics technique and finite element method. The effects of diameter, length and chiral angle on elastic modulus and Poisson’s ratio of armchair, zigzag and chiral structures are investigated. To simulate the CNTs, a 3D FEM code is developed using the A...

carbon nanotubes (cnts) are specific structures with valuable characteristics. in general, the structure of each nanotube is defined by a unique chiral vector. in this paper, different structures of short single-walled cnts are simulated and their mechanical properties are determined using finite element method. for this aim, a simple algorithm is presented which is able to model the geometry o...