Determination of the mechanical properties of carbon nanotubes is an essential step in their applications from macroscopic composites to nano-electro-mechanical systems. In this paper we report the results of a series of molecular dynamics simulations carried out to predict the elastic constants, i.e. the elements of the stiffness tensor, and the elastic moduli, namely the Young’s and shear mod...

in this work, we have studied binding of clonidine drug (c9h9cl2n3) with zigzag single walled carbonnanotubes (swcnt) (5, 0) by theoretical methods of theory using gaussian 09 software package.binding energies, nmr parameters and homo- lumo gap energy were calculated. results frombinding energies indicate that it is possible thermodynamically to bind clonidine drug to swcnt.the calculated nmr p...

Abstract—The main objective of this paper is study the influence of carbon nano-tubes fibers and nano silica fibers on the characteristic compressive strength and flexural strength on concrete and cement mortar. Twelve tested specimens were tested with square section its dimensions (4040 160) mm, divided into four groups. The first and second group studied the effect of carbon nano-tubes (CNT...

hyperdiamonds are covalently bonded fullerenes in crystalline forms, more or less related todiamond, and having a significant amount of sp3 carbon atoms. design of severalhypothetical crystal networks was performed by using our original software programscvnet and nano-studio. the topology of the networks is described in terms of the netparameters and several counting polynomials, calculated by ...