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 article, finite difference method (fdm) is used to solve sixth-order derivatives of differential equations in buckling analysis of nanoplates due to coupled surface energy and non-local elasticity theories. the uniform temperature change is used to study thermal effect. the small scale and surface energy effects are added into the governing equations using eringen’s non-local elasticity...

Spin-polarized density functional theory is used to investigate hydrogen-induced magnetism in single-walled carbon nanotubes SWNTs . Hydrogen trapped at a carbon vacancy can trigger delocalized electron spin polarization on semiconducting zigzag SWNTs. Hydrogen pinned by a carbon adatom on the surface of the SWNT can induce spin polarization localized at the carbon adatom, independent of the di...

Functionally graded scaffold (FGS) can flexibly regulate the mechanical properties of bone and holds great promise for offering multifunctional responses orthopaedic implants. Heterogeneous FGSs constructed by skeletal sheet triply periodic minimal surfaces (TPMSs) have been proposed in this study. The diversified deformation mechanisms TPMS-FGSs showed superior stability, energy absorption eff...

Printed circuit heat exchangers (PCHE) are designed to improve recovery and energy saving in supercritical CO2 (S-CO2) power cycles. In the current study, a modified channel PCHE is proposed based on regular straight zigzag channel. The thermal–hydraulic performance of four different types numerically investigated methods verified by both experimental numerical results. results presented for Re...

This study aims to model delaminations in laminated composite beams by using the PeriDynamic Differential Operator (PDDO) and Refined Zigzag Theory (RZT). A cohesive zone is employed monitor delamination evolvement embedding an interfacial resin layer between two potentially separable material layers. PDDO calculates local derivatives their nonlocal forms produces highly accurate predictions fo...

The electronic and structural properties of single wall carbon nanotubes (SWCNTs) interacted with 4-amino phenyl-azobenzene were theoretically investigated by using the hybrid DFT (hybrid-density functional theory) calculations. The amount of thermodynamic parameters of this reaction in the gas and aqueous phase suggesting thermodynamic favourability for adsorption of 4-amino phenyl-azobenzene ...

The purpose of the study reported in this paper is to investigate how local focusing structure, analysed in terms of Centering Theory (Grosz, Joshi & Weinstein, 1995), and global d iscourse structure, analysed in terms of discourse segments and discourse segment purposes (Grosz & Sidner, 1986), interact. Swedish dialogue was analysed according to Centering Theory and Grosz and Sidners (1986) di...

One-pot, four-component procedure for the synthesis of a small library of new chiral spiro- oxindolopyrrolidines with high regio-, diastereo- (>99:1 dr), and enantioselectivity (up to 80% ee) is described. In this process, the regio- and stereochemical 1,3-dipolar cycloaddition of azomethine ylides, which were generated insitu by the reaction of isatin derivatives and sarcosin,with optically ac...