Materials Literature
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ABSTRACT Simulation on the kinetic scheme of enhanced spin capturing polymerizations (ESCP) were performed to reveal the influence of different parameters, e.g., initiation rate, spin capturing and side reactions on the properties (the monomer conversion, degree of polymerization, polydispersity index, and the fractio…
Preparation of novel sulphated zirconia pillared montmorillonite and saponite clays nanoparticles (SZ/MMT and SZ/SAP) were studied to find a highly active, economist and environment friendly catalysts in the conversion of citronellal into menthol. Sulphated zirconia pillared MMT was prepared by direct sulphation into…
A spectrum splitter can be used to spatially multiplex different solar cells that have high efficiency in mutually exclusive parts of the solar spectrum. We investigated the use of a grating, comprising an array of dielectric cylinders embedded in a dielectric slab, for specularly transmitting one part of the solar sp…
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An advanced continuum-based multi-physical single particle model was recently introduce for the hydration of tricalcium silicate ( $C_3S$ ). In this model, the dissolution and the precipitation events are modeled as two different yet simultaneous chemical reactions. Product precipitation involves a nucleation and grow…
We present for one-dimensional model for elastoplastic bar with combined hardening in FPZ - fracture process zone and softening with embedded strong discontinuities. The simplified version of the model without FPZ is directly compared and validated against analytical solution of Bazant and Belytschko (1985). It is sho…
Our work is based on the development of a numerical model to develop a methodology for predicting the aging and breakdown in insulation due to the dynamics of space charge packets. The model of bipolar charge transports is proposed to simulate space charge dynamic for high DC voltage in law-density polyethylene (LDPE)…
This research proposes the use of a composition modulated (ZrO2)x(Al2O3)1-x film as a charge trapping layer for charge trap flash memory; this is possible when the Zr (Al) atomic percent is controlled to form a variable bandgap as identified by the valence band offsets and electron energy loss spectrum measurements. C…
The electric field effect in ultrathin zigzag graphene nanoribbons containing only three or four zigzag carbon chains is studied by first-principles calculations, and the change of conducting mechanism is observed with increasing in-plane electric field perpendicular to the ribbon. Wider zigzag graphene nanoribbons ha…
This work examines a borate glass produced with oxides of potassium and lithium, known as LKB. The suitability of borate glasses for thermoluminescent (TL) dosimetry has been reported in previous studies. In particular, borate glasses doped with different elements showed good characteristics in terms of linearity, sen…
Tip splitting instability of cellular interface morphology in directional solidification is analyzed based on the bias field method proposed recently by Glicksman.The physical mechanism of tip instability is explained by analyzing the interface potential, the tangential energy flux, and the normal energy flux.A rigoro…
A preservação de tecidos moles (não resistentes) desperta atenção pela qualidade dos fósseis preservados, e pela raridade. Este trabalho faz ampla revisão do assunto, desfaz alguns dos mitos correntes sobre fossilização destes materiais, como anaerobiose e soterramento rápido, bem como assinala a relevância do papel d…
Assignment of terahertz vibrational modes of L-glutamine using density functional theory within generalized-gradient approximation* , Zhang, Han, Zhang, Zhao-Hui, Zhao, Xiao-Yan, Zhang, Tian-Yao, Yan, Fang, Shen, Jiang
To seek high-performance oligomer donor materials used in organic solar cells, four star-shaped molecules with a planar donor core derived from the recent reported molecule 3T-P-DPP (phenyl-1,3,5-trithienyl-diketopyrrolopyrrole) were designed. The molecular properties affecting the cell performance, such as structural…
Physico-mechanical properties of cement pastes were studied by setting time, combined water, compressive strength, SEM as well as porosity in presence of blend polymers. Blend polymers were used based on polyvinyl alcohol and carbamide with blend ratios 20/80, 40/60 and 80/20 respectively. The addition of blend polyme…
Abstract Nanocomposite thermoelectrics can exhibit both reduced thermal conductivity and enhanced electrical conductivity beyond single‐phase materials; accordingly, they have become the new material paradigm to achieve viable thermoelectric efficiencies. New synthesis techniques are needed to further enhance their pr…
The structural and optical properties of four samples of cobalt phthalocyanine (CoPc) thin films having almost the same thickness deposited onto silicon substrates by organic molecular beam deposition (OMBD) were investigated. The intensity distributions of the X-ray diffraction (XRD) patterns confirm the crystalline…
Bacterial poly-β-hydroxybutyrate (PHB) is a natural, biodegradable polymer, which is accumulated in the cells as an energy reserve materialdue to depletion of nitrogen or phosphorous in the presence of excess carbon source. This polymer is foreseen to possess high industrialpotentiality and excellent alternative to th…
The (3R)-hydroxyacyl-ACP dehydratase HadAB, involved in the biosynthetic pathway for mycolic acid (MA) of Mycobacterium tuberculosis, catalyzes the third step in the fatty acid (FA) elongation cycle, which is an ideal and actual target for anti-tubercular agent. Though HadAB is predicted to be a member of the hotdog s…
Abstract Conducting polymer-wide band gap semiconductor nanocomposites are prepared by polymerizing pyrrole in the presence of colloidal titanium dioxide (TiO2) sol. Characterizations of nanocomposites are carried out by Fourier transform infrared spectroscopy (FTIR), transmission electron microscopy (TEM) and X-ray d…