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External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX(X=S, Se and Te)
(Elsevier B.V., 2013)
The full potential linearized augmented plane wave method within the framework of density functional theory is employed to investigate the structural, thermodynamic and elastic properties of the yttrium chalcogenides (YX: ...
Linear and nonlinear optical susceptibilities and the hyperpolarizability of borate LiBaB9O15 single-crystal: theory and experiment
(American Chemical Society, 2013-11)
The single-crystal borate LiBaB9O15 was synthesized by a high-temperature solution reaction and structurally determined by the single-crystal X-ray diffraction technique. It crystallizes in the noncentrosymmetric space ...
Electronic band structure and specific features of Sm2NiMnO6 compound: DFT calculation
(Elsevier BY., 2013-09)
The band structure, density of states, electronic charge density, Fermi surface and optical properties of Sm2NiMnO6 compound have been investigated with the support of density functional theory (DFT). The atomic positions ...
First principle calculations of transition metal oxide, AgAlO2, as active photocatalyst: sustainable alternative sources of energy
(Electrochemical Science Group (ESG), 2013)
Electronic structure, optical properties and electronic charge density of transition metal oxide, AgAlO2 as active photocatalyst are calculated using full potential linearize augmented plane wave (FP-LAPW) method within ...
Electroless Ni-P-Cg(Graphite)-SiC composite coating on cast AlSi alloy
(Trans Tech Publications, 2013)
The study presents the electroless N-P-Cg-SiC composite coating on cast AlSi (ADC12) alloy where the bath temperature is maintained at 90°C, pH level is controlled between 4.5 to 5.0 and stirred at 450 rpm with mechanical ...
The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4
(Springer Berlin Heidelberg, 2013-11)
The electronic structure, electronic charge density and optical properties of the diamond-like semiconductor Ag2ZnSiS4 compound with the monoclinic structure have been investigated using a full-relativistic version of the ...
Effect of fly ash/alkaline activator ratio and sodium silicate/NaoH ratio on fly ash geopolymer coating strength
(Trans Tech Publications, 2013)
Fly ash geopolymer coating material potential used to protect surface used in exposure conditions. Ratio of fly ash/alkaline activator and Na₂SiO₃/NaOH play important parameter on determining the best flexural strength of ...
On the structure of shape memory alloys
(Trans Tech Publications, 2013-12)
The paper presents the obtaining of shape memory alloys, base copper and a diffractometer and microscopic study on some samples. The study was made on CuZnAl samples, obtained by classic casting and educated. The shape ...
Application of clay - based geopolymer in brick production: A review
(Trans Tech Publications Inc., 2013)
This paper reviews and summarizes the current knowledge and application of clay as a geopolymer material in production of geopolymer brick. As we understand, the nature of source materials give a significant impact to the ...
A study of liberation and separation process of metals from printed circuit boards (PCBS) scraps
(Trans Tech Publications, 2013-12)
Since the metallic elements are covered with or encapsulated by various plastic or ceramic materials on printed circuit boards (PCBs), a pre-treatment process allowing their liberation and separation is first needed in ...