Potential-energy surfaces and their dynamic implications

Nonlocal Analysis of Longitudinal Dynamic Behavior of Nanobars with Surface Energy Effect

Due to considerable stored energy in surfaces of nano-scales in comparison with the stored energy in their bulk, considering the surface energy is necessary for the analysis of various behaviors of nano-scales for more precise design and manufacturing. In this article, the longitudinal dynamic behavior of nanobars in the presence of the surface energy parameters is studied. To this end, the lon...

Computational study of three dimensional potential energy surfaces in intermolecular hydrogen bonding of cis-urocanic acid

India's Energy Strategy by 2035 and Its Implications for I. R. of Iran

The energy sector is a most promising area for commercial interactions between Iran and India. India is expected to become the third biggest oil consumer in the World by 2035, thanks to the country’s high population and high rate of economic growth.  On the other hand, Iran holds the world's largest gas reserves and third largest oil reserves, as such is able to meet India’s energy needs for a ...

Phase transition of the dry friction between crystalline surfaces induced by normal load

A major source of energy dissipation and surface wear is the kinetic friction at the interfaces of sliding bodies. Traditionally, on a macroscopic scale, this undesirable effect is reduced with lubricating the surfaces by introducing oil into their interface. An interesting phenomenon, called superlubricity, has been reported on a nanometer scale where dry (without lubricant oil) fruition and w...

Calculation for Energy of (111) Surfaces of Palladium in Tight Binding Model

In this work calculation of energetics of transition metal surfaces is presented. The tight-binding model is employed in order to calculate the energetics. The tight-binding basis set is limited to d orbitals which are valid for elements at the end of transition metals series. In our analysis we concentrated on electronic effects at temperature T=0 K, this means that no entropic term will be pr...