Materials Literature
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We attempt a classification of different colloidal gels based on colloid–colloid interactions. We discriminate primarily between non-equilibrium and equilibrium routes to gelation, the former case being slaved to thermodynamic phase separation while the latter is individuated in the framework of competing interactions…
The authors use the density functional theory associated with nonequilibrium Green function to calculate (2,2) and (3,3) single-walled nanotubes. The result of T(E) imply that π or π* band has been suppressed at certain electronic energy region result in the effect of curvature induce complex hybridization procedure.…
The collapse of cavities under shock is a key problem in various fields ranging from erosion of material, ignition of explosive, to sonoluminescence, etc. We study such processes using the material-point method developed recently in the field of solid physics. The main points of the research include the relations betw…
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The crystal structure of Acidithiobacillus thiooxidans isocitrate dehydrogenase complexed with NAD+ and citrate has been solved to a resolution of 1.9 A. The protein fold of this NAD+-dependent enzyme shares a high similarity with those of NADP+-dependent bacterial ICDHs. The NAD+ and the citrate are clearly identifie…
Abstract Dual‐functional laponites were synthesized by a condensation reaction with silane coupling agents followed by cation exchange reaction with quaternary ammonium salts. FTIR and solid state 13 C CP/MAS NMR confirmed their structures. Quantitative solid state 29 Si DP/MAS NMR spectra indicated that clay silanol…
The authors have developed a high pressure method to produce bulk chalcogenide glasses of a unique AsS composition. The structure, optical properties, and stability of the obtained glasses have been studied. Glasses have an intrinsic deep-red color, optical pseudogap Eg≈1.75eV, a broad Urbach absorption tail WU≈120meV…
In this paper new experimental investigations are paired with microstructure simulations to verify specific assumptions from related experiments about the micro-segregation dynamics of Mn-Si-Al steels. Systematic microstructure simulations were carried out which were calibrated carefully to the experimental results. M…
The authors employ density functional theory within the generalized-gradient approximation to investigate infinitely long [0001] ZnO nanowires. The authors report on atomic relaxations, formation energies, and electronic structure of bare and hydrogen passivated ZnO wires with triangular cross sections. The authors fi…
Current density levels are expected to increase by orders of magnitude in next generation power electronics and nanoelectronics. Electromigration which occur under high current density is the major concern for the nanoelectronics industry. Using a general purpose computational model, which is capable of simulating cou…
Two lanthanide(III) binuclear complexes have been synthesized with acetate as bridging ligand and 4-methylpyridine N-oxide (L), SCN− and H2O as terminal ligands and structurally determined by X-ray crystallography. Both crystals [Gd2(μ1,3-CH3CO2)2(SCN−)4(L)2(H2O6) (1) and [Eu2(μ1,3-CH3CO2)2(SCN−)4(L)2(H2O)6] (2) belon…
We have systematically studied the transport properties of colossal magnetoresistance (CMR) manganite films at temperatures of up to $550\phantom{\rule{0.3em}{0ex}}\mathrm{K}$ by changing parameters influencing the amount of disorder in the system. Independent of the type and amount of disorder, the resistivity can al…
We use a combination of classical model and first-principles density functional theory calculations to study lattice dynamics of ${\mathrm{Y}}_{2}{\mathrm{W}}_{3}{\mathrm{O}}_{12}$ and identify phonons responsible for its negative thermal expansion (NTE). Born dynamical charges of various atoms are found to deviate an…
Phase resonances in transmission compound structures with subwavelength slits produce sharp dips in the transmission response. For all equal slits, the wavelengths of these sharp transmission minima can be varied by changing the width or the length of all the slits. In this paper we show that the width of the dip, i.e…
Understanding the magnitude of coercive fields, the external electric field that results in zero net polarization, has been a long-standing problem for ferroelectrics. The authors studied the switching and coercive fields using a combination of the continuum phase field approach, microelasticity, and electrostatics. W…
The iron location in FeSBA-15 strongly influences the selectivity to dehydrogenation and dehydration in ethanol conversion. At low iron loading, Fe is present as isolated $$\hbox{Fe}^{3+}$$ species in the amorphous silica phase. At higher loading additional aggregated forms of iron oxide exist. Isolated $$\hbox{Fe}^{3…
Epitaxial films of Bi7Mn3.75Ti2.25O21 were prepared to yield a previously unsynthesized material. The superlattice phase is produced by incorporating the magnetoelectric BiMnO3 into the perovskite substructure of the ferroelectric Bi4Ti3O12, a strategy which is hoped to yield previously undiscovered multiferroic mater…
Abstract To obtain silk weight gain and to improve silk properties, Bombyx mori silks were grafted with either 2‐hydroxyethyl methacrylate (HEMA) or methyl methacrylate (MMA). The moisture regain of the HEMA‐grafted and MMA‐grafted silks depended on the hydrophilicity of the used monomers. The acid and alkaline resist…
Structural units of the grain boundaries in ultrananocrystalline diamond thin films with different grain sizes were investigated using Raman spectroscopy. Characteristic peaks of well-defined molecular structural building blocks were detected in the near-infrared excited Raman spectra of these materials by limiting th…
We use the locally generated photovoltage in carbon nanotubes to image potential modulations produced by defects. The correlation with spatially resolved spectroscopy of the disorder-enhanced Raman band allows us to locate the defects and to determine their effect on band bending. The defects produce local potential m…