Materials Literature
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We perform a systematic examination on the dependence of the calculated nuclear magnetic shielding constants on the chosen geometry for a selective set of density functional methods of B3LYP, PBE0, and OPBE. We find that the OPBE exchange-correlation functional performs remarkably well when either the optimized geomet…
A two-stage hydrothermal process was developed for the synthesis of highly dispersed Au colloids. In the first stage, a novel glucose-derived polymer template was prepared by the hydrothermal treatment of glucose at 160 degrees C. This template was then further used in the next step to synthesize highly dispersed gold…
Abstract A series of novel phenylethynyl‐endcapped polyimide oligomers were prepared by polycondensation of an aromatic diamine mixture of 1,3‐bis(4‐aminophenoxy) benzene (1,3,4‐APB) and 3,4′‐oxydianiline (3,4′‐ODA) with different aromatic dianhydrides including 3,3′,4,4′‐biphenyltetracarboxylic dianhydride (BPDA), 4,…
Abstract Changes in the molecular orientation, melting behavior, and percent crystallinity of the individual components in a fibrous blend of isotactic polypropylene (iPP) and high‐density polyethylene (HDPE) that occur during the melt extrusion process were examined using wide‐angle X‐ray diffraction (WAXD) and diffe…
Modeling structural variability is critical for understanding protein function and for modeling reliable targets for in silico docking experiments. Because of the time-intensive nature of manual X-ray crystallographic refinement, automated refinement methods that thoroughly explore conformational space are essential f…
Auxosporulation of the freshwater epipelic diatom Pinnularia nodosa (Ehrenb.) W. Sm. was studied in a clonal culture. Interphase cells possessed two chloroplasts with invaginated pyrenoids. The nucleus contained a single small body of heterochromatin at one end, also visible during most of meiotic prophase. During aux…
Abstract Effect of silica nanofiller on the deformation response and morphology of low‐ and high‐density polyethylene (HDPE, LDPE) and isotactic polypropylene (PP) modified with fumed silica was investigated. The dynamic‐mechanical thermal spectroscopy, differential scanning calorimetry, optical microscopy, and densit…
Abstract Our aim was to make possible to use ellipsometry for mapping purposes during one measuring cycle even on large wafers or panels (several dm 2 area). The new technique (Patent pending: P0700366, 2007 [1]) (based on our wide‐angle beam ellipsometry solution) uses non‐collimated illumination with special mirror…
We studied the interaction of tetracyano- p -quinodimethane (TCNQ) with single-wall carbon nanohorns (SWNHs), single graphene-tubes with large diameters (2−5 nm), and noticed two interesting phenomena. One is that adsorbed quantities on the inside (0.08 g/g) and outside (0.13 g/g) of SWNH corresponded to about 20% and…
The crystal and magnetic structure of (La 0.50 Ca 0.50 )(Mn 1− x B x )O 3 ( x = 0.00, 0.03, 0.08; B = Cr, Ni) has been investigated between 5 and 300 K by means of dc magnetic measurements and neutron powder diffraction followed by Rietveld refinement. In the pristine compound an orthorhombic to monoclinic phase trans…
The uniaxial natural fabric Hildegardia populifolia was coated with polycarbonate and its tensile strength, modulus and percent elongation at break were determined. The effect of alkali treatment and a coupling agent on the tensile properties of the fabric was also studied. The tensile properties were enhanced by alka…
Abstract This article examines thermoplastic elastomers (TPEs) and thermoplastic vulcanizates (TPVs) as two types of elastomers from melt‐blended and dynamically vulcanized ethylene–propylene–diene monomer (EPDM) rubber materials and nylon 6 plastic materials. A series of investigations were conducted on the mechanica…
Abstract Degumming of hemp fiber by high temperature alkali cooking was investigated, and the effect of temperature and dosage of alkali on the constituents, structure, and thermal degradation of hemp fiber was also discussed in this work. The morphology, structure, and thermal degradation of hemp fiber after high tem…
We have studied the electronic and magnetic properties of epitaxially grown ${\text{CaMn}}_{1\ensuremath{-}x}{\text{Ru}}_{x}{\text{O}}_{3}$ thin films $(x=1.0,0.75,0.5)$ by soft x-ray absorption, soft x-ray magnetic circular dichroism (XMCD), and hard x-ray photoemission spectroscopy (HXPES) measurements. The XMCD stu…
Abstract Thermophysical and thermomechanical properties of UV‐cured Norland Optical Adhesives (NOA65) and low molecular weight Liquid Crystal E7 systems were investigated. Thin films of Polymer Dispersed Liquid Crystal were prepared by Polymerization Induced Phase Separation and UV‐curing. Phase diagrams were establis…
The Al nanowire arrays were directly deposited on the Si substrates by a facile electron-beam evaporation technique, oblique angle deposition. This process was accomplished by tilting the Si substrates and adjusting the incident angle of evaporated Al vapor flux from the normal of the substrates at 87°. X-ray diffract…
We studied the synthesis of siliceous structures by using a nonionic block copolymer (Pluronic P123) and perfluorooctanoic acid (PFOA) as cotemplates in an acid-catalyzed sol-gel process. Different siliceous structures were obtained through systematically varying the molar ratio (R) of PFOA/P123, and the resultant mat…
One of the most cumbersome and time-demanding tasks in completing a protein model is building short missing regions or ;loops'. A method is presented that uses structural and electron-density information to build the most likely conformations of such loops. Using the distribution of angles and dihedral angles in penta…
The present work is devoted to explaining the role of epitaxial strain in the structure and the metal–insulator (MI) transition in SmNiO 3 (SNO) films deposited on LaAlO 3 (LAO) and SrTiO 3 (STO) substrates. X-ray reciprocal space mapping and valence bond calculations allow us to show that in-plane compressive strain…
Abstract We have reported that a star‐like network structure with lignin as center in polyurethane resulted in the simultaneous enhancement in mechanical strength and elongation. In this study, we aimed to enhance the mechanical properties of waterborne polyurethane by adding nitro‐lignin (NL) to form analogical star‐…