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Thermodynamic Phase Diagram and Phonon stability, Electronic and Optical Properties of FeVSb: A DFT study

100%

Bagheri A. , Boochani A. , Masharian S. R. , Jafarpour F. H.

tom Vol. 68, iss. 1

331--338

Mechanical, electronic, thermodynamic phase diagram and optical properties of the FeVSb half-Heusler have been studied based on the density functional theory (DFT) framework. Studies have shown that this structure in the MgAgAs-type phase has static and dynamic mechanical stability with high thermodynamic phase consistency. Electronic calculations showed that this compound is a p-type semiconductor with an indirect energy gap of 0.39 eV. This compound’s optical response occurs in the infrared, visible regions, and at higher energies its dielectric sign is negative. The Plasmon oscillations have occurred in 20 eV, and its refraction index shifts to zero in 18 eV.

Określenie właściwości smarnych oleju napędowego z hydrokrakingu w funkcji zawartości estrów CHO

36%

Kajdas C. , Korycki J. , Frydrych J.

tom nr 2

219-227

W pracy przedstawiono wybrane wyniki badań właściwości smarnych dodatków estrowych CHO (węgiel, wodór i tlen) w oleju napędowym z hydrokrakingu o zawartości siarki poniżej 5 ppm.

The paper presents findings concerning lubricity proprieties of four CHO (carbon, hydrogen and oxygen) ester additives: cholesteryl acetate, methyl butyrate, methyl decanoate and cholesteryl palmitate, added to a hydrocracked diesel fuel base oil (LON) - containing less than 5 ppm sulphur - in the concentration range from 100 to 10000 ppm. One proposed a new mechanism of the ester hydrolysis and the formation of the film which is the result of the action of excited states produced during the friction process. The friction process releases the free energy to structures and molecules of the core, the surface layer, Langmuir - Blodget layer and the lubricant, and in the form of chemical energy at fragmentation of the additive molecules, and additionally also by generating electrons plus quanta of the energy such as : photons, phonons, excitons, solitons etc. [L. 2]. The formation of anion-radicals and tribochemical processes stimulated are processes releasing of the energy, small particles and fragments of molecules.