Effect of ionic pendent groups on a polyaniline-based electrorheological fluid

Particles of semiconducting polyaniline and a copolyaniline bearing ionic substituents were synthesized. Electrorheological (ER) fluids using these particles were compared with each other with respect to their rheological properties and dielectric spectra. In the steady shear rheological experiment conducted at 3 kV/mm (DC) at 25°C, the copolymer system showed higher stress than the polyaniline system in the whole shear rate region. This result was interpreted in terms of the conductivities of the particles and their dielectric spectra. Especially, the different behavior in the high shear rate region can be related to the electrical relaxation phenomena observed in the dielectric spectra.     

Study of diffusion and local structure of sodium-silicate liquid: the molecular dynamic simulation

A systematic analysis on sodium-silicate melt with various silica contents was carried out. The simulation revealed two diffusion mechanisms occurred in the melt: the bond-breaking and hopping between sites. The local structure was analyzed through T-simplexes. It was revealed that T-clusters have a non-spherical shape and represent the diffusion channel, in which Na atoms are dominant, but no any O atoms are located. The SiO₂-poor melt acquires a long channel. In contrast, the SiO₂-rich melt consists of unconnected short channels. The simulation also revealed the immobile and mobile regions which differ in local structure and constituent composition. We propose a new CL-function to characterizing the spatial distribution of different atom component. The spatial distribution of mobile and immobile atoms is found quite different. In particular, the immobile atoms are concentrated in high-density regions possessing very large density of immobile atoms. The spatial distribution of mobile atoms in contrast is more homogeneous.     

High‐mobility pentacene OTFT with TaLaO gate dielectric passivated by fluorine plasma

Pentacene thin‐film transistor with high‐κ TaLaO as gate dielectric has been fabricated and shows a carrier mobility of 0.73 cm²/V s, much higher than that based on pure La₂O₃ (0.43 cm²/V s) due to the smoother surface of the TaLaO film and thus larger pentacene islands grown on it in the initial stage. Moreover, among various times for fluorine‐plasma treatment on the TaLaO gate dielectric, 100 seconds result in the highest carrier mobility of 1.12 cm²/V s due to (1) smoothest oxide surface achieved by fluorine passivation of oxide traps, as measured by AFM and supported by smallest sub‐threshold swing and lowest low‐frequency noise; (2) the largest pentacene grains grown on the smoothest oxide surface, as demonstrated by AFM.

     

Heat conduction in extended X-junctions of single-walled carbon nanotubes

Non-equilibrium molecular dynamics (NEMD) simulations are employed to investigate the longitudinal thermal conductivity of non-orthogonal extended X-junction (EX-junction) of single-walled carbon nanotubes (SWCNTs). Different from standard junctions of SWCNTs, two distinct jumps in the temperature profile around the EX-junction are observed, which are responsible for the larger temperature gradient and reduction in thermal conductivity when compared to standard X-junction. Quantum corrected results show that the longitudinal thermal resistance of the X-junction and EX-junction decreases monotonically with increasing temperature which makes the longitudinal thermal conductivity of the tube with junction less sensitive to temperature above 400 K comparing with the individual pristine tube. The origin of the significant decrease of thermal conductivity of EX-junction is discussed through phonon spectra analysis.     

Discretization of nonlinear input-driven dynamical systems using the Adomian Decomposition Method

A numerical decomposition method proposed by Adomian provides solutions to nonlinear, or stochastic, continuous time systems without the usual restrictive restraints. It is applicable to differential, delay differential, integro-differential, and partial differential equations without the need for linearization or other restrictions. It also works through both uncoupled boundary conditions as well as delay systems. In the following paper, a new time discretization method for the development of a sample-data representation of a nonlinear continuous-time input-driven dynamical system is proposed. The proposed method is based on both the zero-order hold (ZOH) assumption as well as the Adomian Decomposition Method which exhibit unique algorithmic and computational advantages. To take advantage of this method, the following steps must be followed. First, the method is applied to a linear input-driven dynamical system to explicitly derive an exact sample-data representation, producing proper results. Second, the method is then applied to a nonlinear input-driven dynamical system, which thereby derives exact and approximate sample-data representations, the latter being most suited for practical applications. To evaluate the performance, the proposed discretization procedure was tested using simulations in a case study which involved an illustrative two-degree-of-freedom mechanical system that exhibited nonlinear behavior considering various control and input variable profiles. In conclusion, the suggested algorithm, in comparison to the results of a Taylor-Lie series expansion method, demonstrated increased performance and efficiency.     

Disordering effects in the atomic structure of fine-crystalline HTSC YBa2Cu3O y

The atomic structure of YBa₂Cu₃O _y fine-crystalline HTSC samples with various average crystallite sizes ??D?? ranging from 0.4 to 2 ??m and an oxygen concentration y close to the optimal value for superconductivity (y ?? 6.93) is investigated by the neutron diffraction technique. We have found some effects associated with the redistribution of cations and oxygen atoms and with variations in the positions of atomic layers in the unit cell, which are not observed in macrocrystalline samples. In all probability, these effects appear due to nonequilibrium conditions of synthesis required for obtaining this compound in the fine-crystalline state. The results have made it possible to explain the peculiar physical properties of fine-crystalline YBa₂Cu₃O _y samples (in particular, the coexistence of high superconducting transition temperatures T _c and noticeably lower values of magnetization in strong magnetic fields for T < T _c ). It is shown that a nanoscale structural inhomogeneity exists in fine-crystalline YBa₂Cu₃O _y samples with the optimal oxygen content and changes the fundamental superconducting parameters, viz., the magnetic field penetration depth and the coherence length.     

Derived Azumaya algebras and generators for twisted derived categories

We introduce a notion of derived Azumaya algebras over ring and schemes generalizing the notion of Azumaya algebras of Grothendieck (Le groupe de Brauer. I. Algèbres d’Azumaya et interprétations diverses. Dix Exposés sur la Cohomologie des Schémas, pp. 46–66, North-Holland, Amsterdam, 1968). We prove that any such algebra B on a scheme X provides a class ϕ(B) in . We prove that for X a quasi-compact and quasi-separated scheme ϕ defines a bijective correspondence, and in particular that any class in , torsion or not, can be represented by a derived Azumaya algebra on X. Our result is a consequence of a more general theorem about the existence of compact generators in twisted derived categories, with coefficients in any local system of reasonable dg-categories, generalizing the well known existence of compact generators in derived categories of quasi-coherent sheaves of Bondal and Van Den Bergh (Mosc. Math. J. 3(1):1–36, 2003). A huge part of this paper concerns the treatment of twisted derived categories, as well as the proof that the existence of compact generator locally for the fppf topology implies the existence of a global compact generator. We present explicit examples of derived Azumaya algebras that are not represented by classical Azumaya algebras, as well as applications of our main result to the localization for twisted algebraic K-theory and to the stability of saturated dg-categories by direct push-forwards along smooth and proper maps.     

A Thermodynamic Study of 1-Propanol–Glycerol–H2O at 25°C: Effect of Glycerol on Molecular Organization of H2O

The excess chemical potential, partial molar enthalpy, and volume of 1-propanol were determined in ternary mixtures of 1-propanol–glycerol–H₂O at 25°C. The mole fraction dependence of all these thermodynamic functions was used to elucidate the effect of glycerol on the molecular organization of H₂O. The glycerol molecules do not exert a hydrophobic effect on H₂O. Rather, the hydroxyl groups of glycerol, perhaps by forming clusters via its alkyl backbone with hydroxyl groups pointing outward, interact with H₂O so as to reduce the characteristics of liquid H₂O. The global hydrogen bond probability and, hence, the percolation nature of the hydrogen bond network is reduced. In addition, the degree of fluctuation inherent in liquid H₂O is reduced by glycerol perhaps by participating in the hydrogen bond network via OH groups. At infinite dilution, the pair interaction coefficients in enthalpy were evaluated and these data suggest a possibility that the interaction is mediated through H₂O.     

Pb,Sr and Ba calix[6]arene hexacarboxylic acid octahedral complexation: a dramatic effect of dealkylation

Calix[6]arene hexacarboxylic acid binds instantly and with low symmetry to Pb, Sr and Ba. Later a highly symmetric up-down alternating conformation emerges. The solution structures are identical to their p-tert-butylcalix[6]arene hexacarboxylic acid counterparts. With either receptor, an octahedral cage is formed around the metal. The transformation from low to high symmetry however proceeds at significantly faster rates for the de-t-butylated host.