Materials Literature
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A local-orbital based ab initio approach to obtain the Green function for large heterogeneous systems is developed. First a Green function formalism is introduced based on exact diagonalization. Then the self energy is constructed from an incremental scheme, rendering the procedure feasible, while at the same time phy…
Sepiolite, a naturally occurring magnesiosilicate nanoporous clay mineral with a tunnel structure, contains two types of water molecules in the structure: zeolitic water trapped inside the tunnels and structural water molecules which interact strongly with magnesium cations. The zeolitic water was removed by heating t…
The bending behavior of worsted wool yarns and fabrics plays a crucial role in handling and performance of end-use textiles. Hence, the fabric/yarn bending properties were studied based on a quasi-three-point bending model by means of the theoretical modeling and the corresponding measuring method. By means of the for…
Abstract Power ultrasound provides a surfactant‐free means of emulsifying dense near‐critical carbon dioxide and water. Droplet size distributions and volume fractions of the dispersed phases have been measured for acoustically formed emulsions. Hydrolysis rates were measured for a series of 7 benzoyl halides under bo…
Abstract The crystal structure of the host–guest peptide, (Pro–Pro–Gly) 4 –(Pro–alloHyp–Gly)–(Pro–Pro–Gly) 4 , was analyzed at high resolution. allohydroxyproline (alloHyp), 4S‐hydroxyproline, was successfully characterized through the use of a host–guest peptide, while the previous study indicated the inability of a…
Wrinkling is one of the most important visible properties of a fabric for the consumer that is routinely evaluated in reference to a set of visual standards in the textile industry. The visual evaluation is unreliable and time-inefficient. This paper introduces a new quantitative analysis method for fabric wrinkle and…
We investigate the instabilities that may lead to the breakdown of the Luttinger liquid in the small-diameter (5,0) nanotubes, paying attention to the competition between the effective interaction mediated by phonon exchange and the Coulomb interaction. We use bosonization methods to achieve an exact treatment of the…
The adsorption of 2-amino-4-methylbenzothiazole (2-AMBT) on colloidal silver particles has been investigated by a surface enhanced Raman scattering (SERS) study. The SERS spectra of the 2-AMBT molecule at varied adsorbate concentrations recorded in different time domains are compared with its Fourier transform infrare…
This paper investigates the use of extended normalized radial basis function (ENRBF) neural networks to predict the sewing performance of fabrics in apparel manufacturing. In order to evaluate the performance of the ENRBF neural networks that could be emulated as human decision in the prediction of sewing performance…
The 4,6-bis(10-mesityl-5,15-di-p-tolylporpyrinyl)dibenzothiophene (H4DPSN) free base was obtained in five steps from commercially available materials. The metalation of DPSN2- with zinc(II), copper(II), and palladium(II) led to three new homobimetallic systems, (Zn)2DPSN, (Cu)2DPSN, and (Pd)2DPSN, respectively. The co…
Nanoporous metals and oxides were synthesized by the templating process using supercritical solvents, which is called nanoscale casting using supercritical fluids (NC−SCF). Precursors dissolved in supercritical CO 2 were attached to and coated on activated carbon templates. After removing the activated carbon template…
Through the use of monodisperse core/shell quantum dots (QDs) as photosensitizers for the first time, a novel strategy for the fabrication of QD-photosensitized nano-TiO2 films was demonstrated. Core/shell QDs were self-assembled on nano-TiO2 films through carboxyls as anchoring groups to metal oxides. Atomic force mi…
The structure and shape of (111) Ag nanocrystals formed at room temperature on basal ZnO planes is followed in situ by synchrotron surface x-ray measurements. On well-ordered surfaces, fully relaxed islands are preferred with their in-plane lattice perfectly aligned with that of the substrate. These islands have their…
Magnetic properties of free ${\mathrm{Bi}}_{N}{\mathrm{Mn}}_{M}$ clusters ($N=2--20$, $M=0--7$) are determined from Stern-Gerlach deflections at low temperature $(46.5\phantom{\rule{0.3em}{0ex}}\mathrm{K})$. Pure bismuth clusters with odd number of atoms exhibit paramagnetic deflections. The addition of manganese atom…
A family of tetradentate ligands, [N,N′-bis(pyridine-2-yl)]ethane-1,2-diamine (L1), [N,N′-bis(pyridine-2-yl)]propane-1,3-diamine (L2) and [N,N′-bis(pyridine-2-yl)]butane-1,4-diamine (L3) has been prepared. These ligands differ only in the number of CH2 groups separating two pyridyl/imine moieties, however, in reaction…
Single-walled carbon nanotubes (SWNTs) have been fluorinated by CF4 plasma exposure and further functionalized with 1,2-diaminoethane. The degree of amino functionalization is dependent on the degree of initial fluorination rather than oxygen or carbon defects. Reaction at both ends of 1,2-diaminoethane was observed t…
Adsorption and chemisorption of H2 in mordenite is studied using ab initio density functional theory (DFT) calculations. The geometries of the adsorption complex, the adsorption energies, stretching frequencies, and the capacity to dissociate the adsorbed molecule are compared for different active sites. The active ce…
The isostructural perovskite compounds PbFe(1/2)Ta(1/2)O3 and PbFe(1/2)Nb(1/2)O3 have been known for long time, and they are part of the important class of materials called multiferroic, where ferroelasticity, ferroelectricity, and ferromagnetism coexist. In the literature regarding PbFe(1/2)Ta(1/2)O3 and PbFe(1/2)Nb(…
A novel approach was developed for the synthesis of tethered polymer layers with thickness and grafting density gradients. Poly(glycidyl methacrylate) (PGMA) was employed as a primary anchoring layer to attach the polymer chains to the surface of a silicon wafer. A linear temperature gradient heated stage was used for…
The new discrete aluminum alkoxide complex ( i PrO)Al{CH 2 NMeCH 2 C(CF 3 ) 2 O} 2 ( 1 ) initiates the controlled ring-opening polymerization of caprolactone in dichloromethane at 20 °C with high activity (TOF = 250 h - 1 ) and productivity (TON up to 1000), leading to polymers with high molecular weight and narrow mo…