Center of Excellence for Geopolymer and Green Technology (CEGEOGTECH) (Articles): Recent submissions
Now showing items 121-135 of 135
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Structural, elastic, thermal, electronic and optical properties of Ag₂O under pressure
(Elsevier, 2014-02)In present paper, the structural, elastic, thermal, electronic, optical properties at ambient and high-pressure study of Ag₂O are performed using the full-potential linearized augmented plane wave (FP-LAPW) method within ... -
Potential of conformal cooling channels in rapid heat cycle molding: a review
(Wiley Periodicals, Inc., 2014)Rapid heat cycle molding (RHCM) can eliminate the weld line, increase flow length, and improve surface quality of the molded parts. However, the cycle time is much longer as compared to the conventional injection-molding ... -
Effects of elevated temperatures on the thermal behavior and mechanical performance of fly ash geopolymer paste, mortar and lightweight concrete
(Elsevier, 2014-01)This paper reports a comparative study of the influence of elevated temperature on geopolymer paste, mortars and lightweight aggregate geopolymer concrete (LWAGC) systems made by using fly ash (FA) as only source material. ... -
Third harmonic generation process in Al doped ZnO thin films
(Elsevier, 2014-01)We have performed studies on the third-order nonlinear optical susceptibility of Al doped ZnO (AZO) thin films using z-scan and third harmonic generation techniques. From the present studies, it reveals that the introduction ... -
NaAuS chicken-wire-like semiconductor: electronic structure and optical properties
(Elsevier, 2014-01)The electronic structure, charge density and optical properties of NaAuS a chicken-wire-like semiconductor was calculated using full potential linear augmented plane wave based on density functional theory. The Ceperley-Alder ... -
Electronic structure, Fermi surface and optical properties of metallic compound Be₈(B₄₈)B₂
(Elsevier/NORTH-HOLLAND, 2014-02)The band structure, density of states, electronic charge density, Fermi surface and optical properties for B₈(Be₄₈)B₂ compound has been investigated in the support of density functional theory (DFT). The atomic positions ... -
First principle study of the electronic structure, Fermi surface, electronic charge density and optical properties of ThCu₅In and ThCu₅Sn single crystals
(Elsevier/NORTH-HOLLAND, 2014-02)The electronic structure, Fermi surface, electronic charge density and optical properties of ThCu₅In and ThCu₅Sn single crystals are studied. The calculations are based on the full potential-linearized augmented plane wave ... -
Thermoelectric properties, electronic structure and optoelectronic properties of anisotropic Ba₂Tl₂CuO₆ single crystal from DFT approach
(Elsevier/NORTH-HOLLAND, 2014-03)First principle calculation was performed for the electronic structure, electronic charge density, Fermi surface, optical and thermoelectric properties of Ba₂Tl₂CuO₆ compound. From the electronic band structure the two ... -
Electronic structure, optical and thermoelectric transport properties of layered polyanionic hydrosulfate LiFeSO₄OH: Electrode for Li-ion batteries
(Elsevier, 2014)Theoretical analysis of electronic structure and optical properties of LiFeSO₄OH, using the full-potential linearized augmented plane waves (FPLAPW), on the basis of density-functional theory (DFT), with in the local density ... -
The density functional study of electronic structure, electronic charge density, linear and nonlinear optical properties of single crystal alpha-LiAlTe₂
(Elsevier, 2014)Self-consistent calculations is performed using the full potential linear augmented plane wave (FP-LAPW) technique based on density functional theory (DFT) to investigate the electronic band structure, density of states, ... -
Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na₃VF₆
(Elsevier/NORTH-HOLLAND, 2014)The electronic structure, charge density and Fermi surface of Na₃VF₆ compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed ... -
Dispersion of the second harmonic generation from CdGa₂X₄ (X = S, Se) defect chalcopyrite: DFT calculations
(Elsevier, 2014)All electron full potential linear augmented plane wave method was used for calculating the nonlinear optical susceptibilities of CdGa₂X4₄(X = S, Se) within the framework of density functional theory. The exchange correlation ... -
New processing method of kaolin-based geopolymer brick by using geopolymer brick machine
(Trans Tech Publications, 2014-01)With increased activity in construction, deficiency of building materials and construction waste improvements have encouraged the development of new building materials. Conventional construction bricks are usually made ... -
Synthesis and characterization of iron produced from iron mill scale
(Trans Tech Publications, 2014-01)In this project, iron mill scale has been used to produce iron powder that can be used within the Powder Metallurgy process. To achieve this objective, the iron mill scale needs to be refined. This involve the work of ... -
Thermal expansion behavior of the electroless copper coated Cu-SiCp composites fabricated via the conventional powder metallurgical technique
(Trans Tech Publications, 2014-01)The introduction of the metal matrix composites as the advanced electronic packaging materials is highly anticipated because their thermal properties can be engineered to match those of semiconductors, ceramics substrates ...