This work is focused on the modelling of car to pedestrian crash scenario. Virtual hybrid human body model VIRTHUMAN as well as a simplified model of car chassis is modelled under Virtual Performance Solution software. The main idea of the work is the investigation and se...

The hydrogen evolution reaction is known as a parasitic reaction during the zinc electrodeposition from alkaline zincate solutions and is thus responsible for current efficiency losses during the electrolysis. Besides that, the rising hydrogen bubbles may cause an extra convection within a&#...

In this paper we report results from optical transmittance spectroscopy complemented with data on structure from XRD measurements to determine optical properties of a series of ZnTiO3 perovskite thin films deposited on glass by reactive magnetron co-sputtering. The members of the series ...

Ternary chalcohalides have been widely utilized for different device applications. The thermoelectric properties of SbSI, SbSeI and SbSBr have been investigated by theoretical simulations, and the findings have been performed using BoltzTraP code, based on semi-classical Boltzmann transport theory. In...

The morphology in terms of the ion channel size, apparent porosity and tortuosity of perfluorosulfonate membranes was modified by using sulfonated polystyrene (SPS) as a sacrificial porogen. The precursor polymers were fabricated via solution-casting of the commercially available Nafion solution ...

In this study, we report the structural, electronic and optical behavior of Zn3X2 (X= N, P, As) compounds by using highly accurate all electrons full potential linearized augmented plane wave method within the density functional theory. The lattice parameters of cubic Zn3N2 (space ...

In order to pass strict emission standards, automobiles with internal combustion engines need to be equipped with complex exhaust gas aftertreatment systems. For example, Diesel engines are usually fitted with an oxidation catalyst (DOC), deNOx catalyst (either SCR or lean NOx trap –&#x...

We report the results of the full-potential linearized augmented plane wave (FP-LAPW) calculations on the structural, elastic, optoelectronic and magnetic properties of CdHo2S4 spinel. Both the generalized gradient approximation (GGA) and Trans-Blaha modified Becke-Johnson potential (TB-mBJ) are used to&#x...

Modern automobiles with internal combustion engine are equipped with several different converters of exhaust gas and a particulate filter. The size and cost of exhaust aftertreatment system can be reduced by coating the catalytically active material on or into the porous filter walls.&#...

We have performed a self-consistent full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT) to investigate the structural, electronic and optical properties of the dilute bismide InAs1_xBix alloys (0 _ x _ 0.125) for mid-IR optoelectronics application

Highly polymorfic ferrous sulfide exhibits attractive optical, semiconductiong, magnetic and biocatalytic properties related to its phase modification. Nd:YAG laser ablation of ferrous sulfide (FeS) in vaccum results in noncongruent deposition of nanostructured FeS1-x thin films. Deposits have been carried...

Silica–titania mixed oxides and composites have been broadly examined for their physical and catalytic properties, but titanium monoxide–silicon monoxide counterparts have yet drawn very little attention. Here we report that laser-induced processing of mixed silicon and titanium monoxides results in&#...

We report that both efficient photo- and piezoelectricinduced molecular oxygen activation are achieved via macroscopic polarization enhancement on a noncentrosymmetric piezoelectric semiconductor BiOIO3

Comparative first-principles calculations of the electronic, optical, elastic and thermodynamic properties of XCaF3 (X =K, Rb, Cs) cubic perovskites. Three fluoroperovskites with the general formula XCaF3 (X= K, Rb, Cs) have been systematically studied using the firstprinciples methods...

The linear and nonlinear optical susceptibility dispersion of CsZn2B3O7 single crystal are comprehensively investigated for a bulk structure in form of single crystal taking into account the influence of the packing structural units.

Silica–titania mixed oxides and composites have been extensively studied, whereas the titanium monoxide (TiO)–silicon monoxide (SiO) counterparts still remain to be explored. Here, we report on structural changes in heated SiO–TiO mixtures. The changes in composition in intimately mixed μm-sized ...

This paper describes a facile and effective method for fabrication of open-cell ceramic foam derived from geopolymer precursor through replica technique. The polyurethane sponge method was applied using geopolymer mixture based on powder mixture of metakaolin/precipitated silica, potassium silica ...

Comprehensive ab-inito calculations are performed to investigate the suitability of the noncentrosymmetric CdLa2S4 and CdLa2Se4 for using as nonlinear optical crystals in visible spectral range

We explore the effect of spin orbit interaction (SOI) on the electronic and optical properties of CsPbCO3F using full potential linear augmented plane wave method with density functional theory (DFT) approach

The photocatalytic performance of Ba2ZnSe3 is investigated by means of density functional theory. The investigation confirms that Ba2ZnSe3 possesses large birefringence, considerable anisotropy in the optical response, and the absorption edge occurs in the visible region.