PHOTOCATALYTIC ACTIVITY OF TiO2 NANOPARTICLE FLUID PREPARED BY COMBINED ASNSS

1. Inroduction Since TiO2 nanoparticles possess such characteristics as strong reduction and oxidation capabilities, high chemical stability, harmlessness to the environment, and low cost of production, it has been used as a new type of photocatalyst as well as anti-bacterium and anti-fungus agent, air and water purifier, and photosynthesis material (Jang et al., 2001). According to the principle based on gas condensation, the present study describes a combined vacuum Arc-Submerged Nanoparti…     

A Vlasov–Fokker–Planck code for high energy density physics

OSHUN is a parallel relativistic 2D3P Vlasov–Fokker–Planck code, developed primarily to study electron transport and instabilities pertaining to laser-produced—including laser-fusion—plasmas. It incorporates a spherical harmonic expansion of the electron distribution function, where the number of terms is an input parameter that determines the angular resolution in momentum-space. The algorithm employs the full 3D electromagnetic fields and a rigorous linearized Fokker–Planck collision operator. The numerical scheme conserves energy and number density. This enables simulations for plasmas with temperatures from MeV down to a few eV and densities from less than critical to more than solid. Kinetic phenomena as well as electron transport physics can be recovered accurately and efficiently.     

Extraction of Intercalated O2 from Aligned Carbon Nanotubes: The Breaking of Intertube Paths and Exponential Changes in Resistance

In carbon nanotube films, the alignment of carbon nanotubes creates Lennard–Jones potentials at intertube junctions and trapped O₂ appears to oscillate at elevated temperatures. Electrical measurements reveal a low hopping barrier along the transverse direction and an underlying mechanism that involves intercalated molecules acting as charge carriers between tubes. Ab initio calculations support dynamic intercalation and charge transfer through O₂ bouncing between tubes.     

Study of the efficiency for ion transfer through bent capillaries

Discontinuous atmospheric pressure interfaces (DAPIs) with bent capillaries represent a highly simplified and flexible means for introducing ions into a vacuum manifold for mass analysis or gas phase ion reactions. In this work, a series of capillaries of different radians and curvatures were used with DAPI for studying the impact of the capillary bending on the ion transfer. The variation of transfer efficiency was systematically characterized for dry and solvated ions. The efficiency loss for dry ions was less than one order of magnitude, even with a three‐turn bent capillary. The transfer of solvated ions generated by electrospray was found to be minimally impacted by the bending of the transfer capillary. For multiply protonated ions, the transfer efficiency for ions at lower charge states could be relatively well retained, presumably due to the lower reactivity associated with proton transfer reaction and the compensation in intensity by conversion of ions at higher charge states. Copyright © 2012 John Wiley & Sons, Ltd.     

Analysis of multivariate skew normal models with incomplete data

We establish computationally flexible methods and algorithms for the analysis of multivariate skew normal models when missing values occur in the data. To facilitate the computation and simplify the theoretic derivation, two auxiliary permutation matrices are incorporated into the model for the determination of observed and missing components of each observation. Under missing at random mechanisms, we formulate an analytically simple ECM algorithm for calculating parameter estimation and retrieving each missing value with a single-valued imputation. Gibbs sampling is used to perform a Bayesian inference on model parameters and to create multiple imputations for missing values. The proposed methodologies are illustrated through a real data set and comparisons are made with those obtained from fitting the normal counterparts.     

Investigation of Thermal Expansion of Polyimide/SiO2 Nanocomposites by Molecular Dynamics Simulations

In this paper, an atomistic model for PI/SiO₂ hybrid nanocomposites was designed for the investigation of physical properties of this material on the base of molecular dynamics simulations. The thermal properties of a reference pure PI matrix in the temperature range of 300–650 K were first investigated. The results for the CTE and the glass transition temperature showed good agreement with the experimental data. Then, the thermal expansion of the model of PI/silica composite material with different SiO₂ fractions was investigated at normal conditions. The CTE of the composite model decreases with the increase in the SiO₂ content in agreement with experimental studies. The results show a threshold for the SiO₂ loading beyond which the material model exhibits ultra‐low thermal expansion.

     

Beam loading in the nonlinear regime of plasma-based acceleration

A theory that describes how to load negative charge into a nonlinear, three-dimensional plasma wakefield is presented. In this regime, a laser or an electron beam blows out the plasma electrons and creates a nearly spherical ion channel, which is modified by the presence of the beam load. Analytical solutions for the fields and the shape of the ion channel are derived. It is shown that very high beam-loading efficiency can be achieved, while the energy spread of the bunch is conserved. The theoretical results are verified with the particle-in-cell code OSIRIS.     

Reversible Phase Transformation and Mechanochromic Luminescence of ZnII‐Dipyridylamide‐Based Coordination Frameworks

A 1D double‐zigzag framework, {[Zn(paps)₂(H₂O)₂](ClO₄)₂}_n ( 1 ; paps=N,N′‐bis(pyridylcarbonyl)‐4,4′‐diaminodiphenyl thioether), was synthesized by the reaction of Zn(ClO₄)₂ with paps. However, a similar reaction, except that dry solvents were used, led to the formation of a novel 2D polyrotaxane framework, [Zn(paps)₂(ClO₄)₂]_n ( 2 ). This difference relies on the fact that water coordinates to the Zn^II ion in 1 , but ClO₄^? ion coordination is found in 2 . Notably, the structures can be interconverted by heating and grinding in the presence of moisture, and such a structural transformation can also be proven experimentally by powder and single‐crystal X‐ray diffraction studies. The related N,N′‐bis‐ (pyridylcarbonyl)‐4,4′‐diaminodiphenyl ether (papo) and N,N′‐(methylenedi‐para‐phenylene)bispyridine‐4‐carboxamide (papc) ligands were reacted with Zn^II ions as well. When a similar reaction was performed with dry solvents, except that papo was used instead of paps, the product mixture contained mononuclear [Zn(papo)(CH₃OH)₄](ClO₄)₂ ( 5 ) and the polyrotaxane [Zn(papo)₂(ClO₄)₂]_n ( 4 ). From the powder XRD data, grinding this mixture in the presence of moisture resulted in total conversion to the pure double‐zigzag {[Zn(papo)₂(H₂O)₂](ClO₄)₂}_n ( 3 ) immediately. Upon heating 3 , the polyrotaxane framework of 4 was recovered. The double‐zigzag {[Zn(papc)₂(H₂O)₂](ClO₄)₂}_n ( 6 ) and polyrotaxane [Zn(papc)₂(ClO₄)₂]_n ( 7 ) were synthesized in a similar reaction. Although upon heating the double‐zigzag 6 undergoes structural transformation to give the polyrotaxane 7 , grinding solid 7 in the presence of moisture does not lead to the formation of 6 . Significantly, the bright emissions for double‐zigzag frameworks of 1 and 3 and weak ones for polyrotaxane frameworks of 2 and 4 also show interesting mechanochromic luminescence.     

A Metal–Organic Framework Thin Film for Selective Mg2+ Transport

The incompatibility between the anode and the cathode chemistry limits the used of Mg as an anode. This issue may be addressed by separating the anolyte and the catholyte with a membrane that only allows for Mg²⁺ transport. Mg‐MOF‐74 thin films were used as the separator for this purpose. It was shown to meet the needs of low‐resistance, selective Mg²⁺ transport. The uniform MOF thin films supported on Au substrate with thicknesses down to ca. 202 nm showed an intrinsic resistance as low as 6.4 Ω cm², with the normalized room‐temperature ionic conductivity of ca. 3.17×10^?6 S cm^?1. When synthesized directly onto a porous anodized aluminum oxide (AAO) support, the resulting films were used as a standalone membrane to permit stable, low‐overpotential Mg striping and plating for over 100 cycles at a current density of 0.05 mA cm^?2. The film was effective in blocking solvent molecules and counterions from crossing over for extended period of time.