Materials Literature
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Abstract A novel metal‐organic coordination complex nonlinear optical crystals, tri‐allylthiourea cadmium chloride [(CdCl 2 (AT) 3 ] and tri‐allylthiourea mercury chloride [(HgCl 2 (AT) 3 ] abbreviated as ATCC, ATMC (AT is Allylthiourea i.e.,CH 2 =CHCH 2 NHCSNH 2 ) has been synthesized and grown as single crystals. It…
Photochemical reactors characterized by almost uniform values of the local volumetric rate of photon absorption (LVRPA), i.e., quasi-isoactinic photoreactors, are particularly suitable for assessing the influence of radiant field intensity in kinetic studies. In this work, Monte Carlo simulations have been performed t…
Using the perturbation treatment developed by Aspnes and Rowe [Phys. Rev. B 5, 4022 (1972)], an analytic expression for the third-order nonlinear optical susceptibility ${\ensuremath{\chi}}^{(3)}(\ensuremath{\omega};0,0,\ensuremath{\omega})$ is computed and analyzed for single walled zigzag carbon nanotubes. By improv…
The electronic g-tensor and hyperfine coupling constants were calculated for cyanide coordination complexes [M(CN)4]3- (M = Ni, Pd, Fe, Ru, Os) in KCl or NaCl host lattices through an embedded calculation approach using the Density Functional Theory and compared with previous experiments. For all tested complexes, the…
Abstract Blends of acrylonitrile–butadiene–styrene (ABS) with 5, 10, 15, and 20 wt % of poly(vinyl alcohol) (PV) were prepared by extruding in a corotating twin screw extruder. The ABS material was blended with PVA with the objective to enhance the degradability of ABS. The extrudate strands were cut into pellets and…
Both molecular statics and molecular dynamics methods were employed to study the mechanical properties of copper nanowires. The size effect on both elastic and plastic properties of square cross-sectional nanowire was examined and compared systematically using two molecular approaches. It was found consistently from b…
Material tensors are identified in ferroelectric nanostructures via the use of first-principles-based simulations and analytical developments. In particular, one of such tensors represents a form of electromechanical coupling occurring at the nanoscale, while another tensor can be considered as analogous of dielectric…
The substrate wetting of an amorphous, low-glass-transition-temperature spherical poly(isoprene-block-ferrocenylsilane) (PI-b-PFS) block copolymer and the alignment of the microdomains in grooves of various geometry are studied. Compositional analysis by time-of-flight secondary ion mass spectrometry depth profiling (…
Layer-by-layer (LBL) polyelectrolyte films offer extensive potentials to enhance surface properties of vascular biomaterials. From the time of implantation, PET prostheses are continuously subjected to multiple mechanical stresses such as important distorsions and blood pressure. In this study, three LBL films, namely…
Abstract Since pervaporation performance of ethanol‐permselective silicalite membrane, which is an aluminum‐free hydrophobic zeolite, in the separation of fermentation broths by yeast are negatively affected by succinic acid, the potential of pervaporation using silicone rubber‐coated silicalite membranes of ethanol f…
Abstract In this paper, the relationship between quality of sapphire crystal and growing parameters of SAPMAC (Sapphire growth technique with micro‐pulling and shoulder‐expanding at cooled center) method was discussed. Optimized temperature distribution and technique control were proposed by theoretical analysis, nume…
A neotype NdBO 3 crystal structure and its layer-by-layer nanopancakes are first obtained by mixing Nd 2 O 3 and B 2 O 3 in stoichiometric amounts without any additive via a mild oxides−hydrothermal (O−HT) process. Characterizations of the samples are carried out using X-ray powder diffraction (XRD), Fourier transform…
Ultrafast midinfrared spectroscopy is used to probe dynamics in the intermediate bandwidth manganite ${\mathrm{Nd}}_{0.5}{\mathrm{Sr}}_{0.5}{\mathrm{MnO}}_{3}$. In the majority paramagnetic and ferromagnetic phases, the early time dynamics are consistent with the excitation and subsequent redressing of uncorrelated la…
The study of the concentration dependence of the Curie temperature and the type of the magnetic transition in ${\mathrm{La}}_{1\ensuremath{-}x}{\mathrm{Ca}}_{x}\mathrm{Mn}{\mathrm{O}}_{3}$ $(0.2<x<0.33)$ single crystals prepared under the same conditions was performed. It has been shown that the point $({x}_{t}=…
Abstract Mössbauer spectroscopy has been used to investigate the hyperfine field distributions and the local spin configurations of Fe atoms in the magnetically ordered Ti(Fe 1− x Al x ) 2 compounds. The evolution of the spin arrangement of the Fe atoms was observed over the concentration range 0 ≤ x ≤ 0.25 at 5 K. Th…
The extensive utilization of zirconium-based alloys in fuel cladding and other reactor internal components in the nuclear power industry has led to the continuous improvement of these alloys. At the present moment, demands for better performing nuclear fuel cladding materials are increasing. Also, new reactor designs…
Sternenbildung: Polymeres [Fe3(μ3-O)(μ-OAc)6(H2O)3][Fe3(μ3-O)μ-OAc)7.5]2⋅7 H2O wird durch das Verknüpfen dreieckiger {Fe3(μ3-O)}-Cluster über anti-anti-verbrückende Acetatliganden hergestellt (siehe Bild; rot und blau: Fe, orangefarben: O). Spin-Frustration und weitreichende magnetische Ordnung koexistieren in dieser…
Abstract Bisphenol‐C‐epoxy‐toluene diisocyanate polyurethane (PEBCT) has been synthesized and used for the fabrication of jute, jute–rice husk (JRH), and jute–wheat husk (JWH) composites. The composites have been fabricated by hand lay‐up technique under a hydraulic pressure of 30.4 MPa at 135°C for 2.5 h. PEBCT‐J, PE…
Abstract The electrical volume conductivity σ of antimony‐doped tin oxide (ATO)–acrylate nanocomposite hybrid coatings was investigated. The relation between σ and the volume filler fraction p was analyzed for the ATO‐acrylate coatings containing ATO nanoparticles grafted with different amounts of 3‐methacryloxy‐propy…
Abstract The direct control of magnetic interactions in Cu II azido‐bridged binuclear complexes is investigated by means of explicitly correlated ab initio calculations. It is shown that in the end‐to‐end series, the shearing‐like asymmetry parameter δ = d long (Cu–N) – d short (Cu–N) should be considered as an import…