We study the mobility and collective diffusion of mutually interacting adparticles on stepped surfaces through Monte Carlo simulations. We consider the case of nearest-neighbor repulsive interactions and different binding energies at the step edges in the disordered phase. We find that the coverage dependence of diffusion across the steps is sensitive to the adparticle interaction energy. For s...

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      In this study, the interaction between NO2+ cation and Hen (n = 1-7) clusters is investigated by means of ab initio calculations at MP2/aug-cc-pVTZ and QCISD/aug-cc-pVTZ computational levels. The first and second solvation shells were obtained while N atom of NO2+ interacts with five and two He atoms, respectively. Stabilizat...

A new theory model based on the local composition concept (TNRF-modified NRTL (TNRF-mNRTL) model) was developed to express the short-range contribution of the excess Gibbs energy for the solutions containing polymer and electrolyte. An equation represented the activity coefficient of solvent was derived from the proposed excess Gibbs energy equation. The short-range contribution of interaction ...

In this paper we investigate a biological framework to generate and adapt a motion pattern so that can be energy efficient. In fact, the motion pattern in legged animals and human emerges among interaction between a central pattern generator neural network called CPG and the musculoskeletal system. Here, we model this neuro - musculoskeletal system by means of a leg - like mechanical system cal...

the shear strength and shear energy per unit area, as well as the force and energy required for picking flowers, are important parameters in the design and development of harvesting mechanisms. in this study, shear strength and shear energy per unit area of saffron (crocus sativus l.) stems were determined at different bevel angles and shear velocities. the force and energy required for picking...

the extended hildebrand solubility parameter approach (ehsa) is used to estimate the solubility of satranidazole in binary solvent systems. the solubility of satranidazole in various water-peg 400 mixtures was analyzed in terms of solute-solvent interactions using a modified version of hildebrand-scatchard treatment for regular solutions. the solubility equation employs term interaction energy ...

Nanostructures have considerably higher surface areas than their bulk counterparts; thereforesurfaces often play important, sometimes even dominant, roles in the nanostructure properties. Thenanocrystalline and nanotubes have low band gaps and high carrier mobility, thus offeringappealing potential as absorption gas. Interaction between methanol molecules and carbonnanotube is investigated usin...

We have used a variational approach to calculate some thermodynamic properties of the quasi-one dimensional liquid 3He such as the energy, entropy, free energy, equation of state and heat capacity at finite temperature. We have employed the Lennard-Jones potential as the inter-atomic interaction. We have seen that the total energy increases by increasing both temperature and density....