One of the approaches to protein structure prediction is to obtain energy functions which can recognize the native conformation of a given sequence among a zoo of conformations. The discriminations can be done by assigning the lowest energy to the native conformation, with the guarantee that the native is in the zoo. Well-adjusted functions, then, can be used in the search for other (near-) nat...

in this paper we present a method to perform flood frequency analysis (ffa) when the assumption of stationary is not important (or not valid). a wavelet transform model is developed to ffa. a full series is applied to ffa using two different wavelet functions, and then a combined method is investigated. in the combined method, all discharge data which were less than the lowest value of annual m...

We discuss the phenomenon of physical aging in a well studied atomic model liquid, a binary mixture of particles interacting with Lennard-Jones potentials. We put emphasis on the different dynamical behaviours of the model as well as on the relations between the experimental and numerical timescales. The physics of aging is discussed within a well characterized thermodynamic framework, based on...

We apply conformal solution theory and extend to mixtures a recently derived equation of state for glass-forming liquids. The equation of state is based on the statistical properties of the multidimensional potential energy surface as a function of a macroscopic system’s degrees of freedom (energy landscape), and allows the calculation of an ideal glass transition locus, along which the configu...

The study highlights the importance to develop the national economy through assuring energy security. The study aims to analyze how to develop renewable energy sources, determine the main priorities of Ukraine’s national security policy and discover novel ways of assuring energy security due to developing the industry of renewable energy in the light of environmental safety, energy conservation...

The longitudinal optical conductivity is the most important property for graphene-baseddevices. So investigating this property for spatially separated few-layer graphene systems analytically and numerically is the main purpose of our study. Each layer can be mono- or bi-layer graphene. The density-density correlation function has been screened by the dielectric function using the random p...

Over the last few years, the problem of voltage stability has received a lot of attraction from the power system community. This type of stability is now a major concern for utilities in both planning and operating conditions. Both static and dynamic aspects of the problem have been discussed and investigated by the researchers. The present paper concentrates on a Voltage Stability Analysis fun...

In the present study we focused on the electronic and structural properties of Na and Mg adsorption on the surface of the (6, 6) armchair SiCNTs. The adsorption energy (Eads), band gap energy (Eg), partial density of state (PDOS), chemical potential (μ), global hardness (η), electrophilicity index (ω), global softness (S), work function values (φ) and work function change (Δφ) are calculated by...