In the present work, a study of thermoelastic analysis of a rotating thick truncated conical shell subjected to the temperature gradient and non-uniform internal pressure is carried out. The formulation is based on first-order shear deformation theory (FSDT), which accounts for the transverse shear. The governing equations, derived using minimum total potential energy principle, are solved, usi...

The combined effect of hydrostatic pressure and temperature on correlation energy in a triplet state of two electron spherical quantum dot with square well potential is computed. The result is presented taking GaAs dot as an example. Our result shows the correlation energies are i)negative in the triplet state contrast to the singlet state ii) it increases with increase in pressure  iii)further...

The reduction of the diffusion energy barrier for Li in electrodes is one of the required criteria to achieve better performances in Li ion batteries. Using density functional theory based calculations, we report a pressure induced manifold enhancement of Li-kinetics in bulk FCC fullerene. Scanning of the potential energy surface reveals a diffusion path with a low energy barrier of 0.62 eV, wh...

The present study examined the physiological effects of counselling in HIV positive patients. The subjects were assigned randomly to two conditions namely, control (N=50, 25 males and 25 females) and experimental (N=50, 25 males and 25 females). The subjects in the experimental group were exposed to counselling sessions one hour daily for one month. A 2 x 2 between subject’s factorial design in...

The kinetics and mechanism for the reaction of ClOO with NO have been investigated by ab initio molecular orbital theory calculations based on the CCSD(T)/6-311+G(3df)//PW91PW91∕6-311+G(3df) method, employed to evaluate the energetics for the construction of potential energy surfaces and prediction of reaction rate constants. The results show that the reaction can produce two key low energy pro...

The unimolecular decomposition of 2,5-dimethylfuran (DMF), a promising next-generation biofuel, was studied at the CBS-QB3 level of theory. As most of its decomposition routes remain unknown, a large number of pathways were explored: initial C-H bond fission, biradical ring opening, H-atom and CH(3)-group transfers involving carbene intermediates. Based on the computed potential energy surfaces...