In this paper surface energy and elastic medium effects on torsional vibrational behavior of nanorods are studied. The surface elasticity theory is used to consider the surface energy effects and the elastic medium is modeled as torsional springs attached to the nanorod. At the next step, Hamilton’s principle is utilized to derive governing equations and boundary conditions. Then, with the aid ...

nanoparticles made of biodegradable polymers has become the best approach for nanoparticle making due to their compatibility with the human body. new glycerol adipate polymers with hydroxyl group substituted with different percent of acyl group, sited as figures within the abbreviated name in the text, and triptophan were synthesized and proposed to be used in the preparction of dexamethason ph...

inhibitory effect of three benzothiazole derivatives (1, 3-benzothiazol-2-amine (bta), 6-methyl-1, 3-benzothiazol-2-amine (mbta) and 2-amino-1, 3-benzothiazole-6-thiol (tbta)) on corrosion of carbon steel has been studied using density functional theory (dft) method in gas and aqueous phases. quantum chemical parameters such as ehomo (highest occupied molecular orbital energy), elumo (lowest un...

By using the density function theory (DFT) the adsorption of nitramine (NH2NO2) molecule on the surface of pristine and Ni functionalized of Gallium nitride nanotube (GaNNTs) is investigated. The adsorption energy of NH2NO2 molecule on the surface of pristine and Ni functionalized GaNNTs is in range ‒6.59 to ‒48.16 Kcal/mol and is physisorption type. The ∆E and ∆H values of the all adsorption m...

intermolecular potential energy surface (ips) for protein — protein has been examined using rhf, dft-b3lypand mp2 levels of theory with 6-31g, 6-31g* basis sets. a number of basis sets were used in order to evaluatethe basis set effects, at all three levels of theory, basis sets has significant effects on the calculated potentialenergy curves (including position, depth and width of the potentia...

The hydrogen abstraction reaction of OH radical with CH3CH2OCF2CHF2 (HFE-374pc2) is investigated theoretically by semi-classical transition state theory. The stationary points on the potential energy surface of the reaction are located by using KMLYP density functional method along with 6-311++G(d,p) basis set. Vibrational anharmonicity coefficients, ...

In this paper a new method to determine the fracture properties and strain energy release rate for Carbon- Polyester composite has been introduced.  Fracture characteristics such as critical stress intensity factor and critical strain energy release rate for mode I, mode II and mixed mode loading were determined using Arcan type specimen. 130 layers of carbon fiber polyester woven composite wit...