in this paper, a monotone positive solution is studied for buckling of a distributed model of multi walled carbon nanotube (mwcnt) cantilevers in the vicinity of thin and thick graphite sheets subject to intermolecular forces. in the modeling of intermolecular forces, van der waals forces are taken into account. a hybrid nano-scale continuum model based on lennard–jones potential is applied to ...

among the intermolecular interactions, the casimir and van der waals forces are the most important forces that highly affect the behavior of nanostructures. this paper studies the effect of such forces on the adhesion of cantilever freestanding nanostructures. the nanostructures are made of a freestanding nano-beam which is suspended between two upper and lower conductive surfaces. the linear s...

In this paper, we calculate the second virial coefficient for binary mixtures of Ar with CH4 and CO in order to evaluate the performance of equations of state (EOSs). The investigated EOSs are van der Waals (vdW), Redlich-Kwong (RK), Peng-Robinson (PR), Carnahan-Starling–van der Waals (CS-vdW) and Guggenheim-van der Waals (G-vdW) based on van der Waals model. In our work, we also use Dieterici ...

reaction mechanism among indoline-2,3-dione, pyrrolidine-2-carboxylic acid and (z)-2-(1-(2-hydroxynaphthalen-1-yl)ethylidene)hydroxycarboxamide to form 1’-((((aminooxy)carbonyl)amino)methyl)-2’-(1-hydroxynaphthalen-2-yl)-2’-methyl-1’,2’,5’,6’,7’,7a’-hexahydrospiro[indoline-3,3’-pyrrolo[1,2-a]imidazole-2-one was investigated using density functional theory (dft) at b3lyp basis theory. the three-...

In this paper, the transverse vibration of a triple-walled carbon nanotube (TWCNT) conveying fluid flow is studied based on the strain/inertia gradient theory with van der Waals interaction taken into consideration. The nanotube is modelled using Euler-Bernoulli beam model and the Galerkin’s method is employed to obtain the CNT complex valued Eigen-frequencies. The effects of the fluid flow tho...

The derivation of the van der Waals parameters for the aliphatic CH united atoms of the GROMOS96 force field is presented. The parameters n have been adjusted to reproduce the experimental enthalpies of vaporization and vapor pressures or densities of a set of nine alkanes in the liquid state at 298 Ž . K or at the boiling point in the case of methane , using a cutoff radius for the van der Waa...

the presence of van der waals (vdw) force can lead to mechanical instability in freestanding nano-scale actuators. most of the previous researches in this area have exclusively focused on modeling the instability in actuators with one actuating components. while, less attention has been paid to actuators consist of two actuating components. herein, the effect of the vdw force on the instability...

the one-dimensional model of lippincott and schroeder for hydrogen bond has been re-examined and it has been shown that o-h bond distance depends on repulsive van der waals and attractive electrostatic potentials.it has been shown that constant b in the van der waals repulsion potential is not transferable to all hydrogen bonds. the possibility of obtaining the semi-empircal parameters in the l...

BACKGROUND The prediction of ligand binding or protein structure requires very accurate force field potentials - even small errors in force field potentials can make a 'wrong' structure (from the billions possible) more stable than the single, 'correct' one. However, despite huge efforts to optimize them, currently-used all-atom force fields are still not able, in a vast majority of cases, even...