Materials Literature
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Recently, we developed a Gaussian attenuation (Gau) scheme for solid-state bandgap calculation that uses a two-electron Gaussian function operator to include short-range Hartree-Fock exchange and combined it with the long-range Perdew-Burke-Ernzerhof (PBE) exchange correlation functional (Gau-PBE). Here, we apply the…
Abstract For the first time, internally reinforced aggregate polymer ceramic composites were evaluated against fragment simulating projectiles (FSPs) of various calibers to investigate their ballistic impact response. Samples were prepared by mechanically mixing B 4 C and cBN over a range of ratios and combinations wi…
The overall objective of this study was to fabricate and characterize the properties of nanocrystalline cellulose/thermoplastic starch (TPS)-based nanocomposites. For the isolation of cellulose nanocrystals (CNCs) from cotton, it is subjected to alkaline treatment followed by acid hydrolysis. Then these CNCs were disp…
Nanocrystalline cupric oxide thin films were prepared using the sol-gel method. Three sols with different pH were performed in order to evaluate the pH effect on the morphology and optical properties of the films. XRD pattern confirmed the nanocrystalline monoclinic CuO phase formation. The influences of pH on surface…
Anisotropic charge transport: Single-crystal organic field-effect transistor devices derived from aggregates of thiophene-appended porphyrins display very high mobility (0.27 cm(2) V(-1) s(-1)). This behavior is due to staircase stacking of the porphyrins with distances between layers of 3.17(7) Å. Furthermore, the ch…
Ceramic coatings based on sol-gel method have increasingly gained much attention in recent times. In order to ascertain important experimental factors (variables) influencing surface properties, such as adhesion, pencil hardness and advancing contact angle (non-stick) of sol coatings, a 26-1-factorial screening design…
The electronic structure and characteristics of Fe 3d valence states of iron-chalcogenide Fe(1.01)Se superconductors under pressure were probed with x-ray absorption spectroscopy and resonant x-ray emission spectroscopy (RXES). The intensity of the pre-edge peak at ~7112.7 eV of the Fe K-edge x-ray absorption spectrum…
Fine grains were developed in Mg-3Al-1Zn (AZ31) alloy by isothermal caliber rolling at five different temperatures in the range of 250-450°C. The samples of different grain sizes were deformed by constant strain rate and differential strain rate test techniques over the temperature range of 220-450 °C and strain rate…
Metamaterials (MM), artificial materials engineered to have properties that may not be found in nature, have been widely explored since the first theoretical(1) and experimental demonstration(2) of their unique properties. MMs can provide a highly controllable electromagnetic response, and to date have been demonstrat…
The compound Th(2)Se(5) has been synthesized and its structure determined by means of single-crystal X-ray diffraction methods. The subcell of Th(2)Se(5) is in the tetragonal space group P4(2)/nmc and is isostructural to Np(2)Se(5). The modulated structure of Th(2)Se(5) has been solved in the monoclinic super space gr…
FeSe0.5Te0.5thin films were deposited by a pulsed laser deposition technique on amorphous substrates, e.g., for demonstration, glass substrates were used. Various interlayers were introduced to enhance the superconducting properties. Detailed microstructural characterizations including X-ray diffraction and cross-sect…
Abstract Amorphous selenium (a‐Se) film is a promising photoconductive material for X‐ray flat‐panel detectors (FPD) application. However, a‐Se tends to be crystalline Se at near room temperature. This remarkable temperature sensitivity limits its practical application. To prevent the near‐room‐temperature crystalliza…
Abstract Blends of chitosan and poly(ε‐caprolactone‐co‐2‐oxepane‐1,5‐dione) (PCO) were fabricated by solvent casting technique using 77% acetic acid as the cosolvent. The interactions between chitosan and PCO were analyzed by Fourier transform infrared spectroscopy, nuclear magnetic resonance, and differential scannin…
We present molecular dynamics simulations of a chemically realistic model as well as a quasi-freely rotating chain model for bulk atactic polystyrene in a temperature range from 240 to 500 K to characterize the role of temperature and internal rotational barriers on static and dynamics properties of bulk polystyrene.…
Although fiber-reinforced polymers (FRP) have until now been largely applied to various fields of engineering, these materials have also been used in many technical applications, especially where high strength and stiffness are required, but with low component weight. Among various natural fibers, banana fiber is of p…
Molecular-kinetic parameters of adsorptives, i.e., water (at 300 K) and nitrogen (at 77 K) vapors, are calculated and compared at the initial steps of their adsorption by cellulose. The role of the dipole structure of water molecules is considered upon their interaction with active centers of cellulose, forming hetero…
The objective of this study is to determine physical, mechanical and barrier properties of chitosan-laminated collagen film.Commercial collagen film, which is used for making collagen casings for dry fermented sausage production, was laminated with chitosan film layer in order to improve the collagen film barrier prop…
The thymine analog 5-chlorouridine, first reported in the 1950s as anti-tumor agent, is known as an effective mutagen, clastogen and toxicant as well as an effective inducer of sister-chromatid exchange. Recently, the first microorganism with a chemically different genome was reported; the selected Escherichia coli st…
We describe a convenient four-step preparation of 1- vinyl adamantane, 1- vinyl diamantane, and 4,9-divinyl diamantane from the respective diamondoid acetic acids in 50–80% isolated yields involving esterification, reduction, and hydrobromination/dehydrobromination. Supplemental materials are available for this articl…
Phenyl boronic acid (PBA), which is known to interact with glucose, was covalently bonded to chitosan by direct reductive N-alkylation of chitosan with 4-formylphenylboronic acid (4-FPBA). Evidence of PBA bonding on chitosan was assessed by FTIR, ToF-SIMS, SEM, DSC and glucose adsorption sensitivity measurements. FTIR…