Neutron scattering from PEEK

An alkali‐soluble polysaccharide, GM5‐1, from the mycelium of Ganoderma tsugae, was fractionated by the nonsolvent addition method. The weight‐average molecular mass (M _w) and intrinsic viscosity ([η]) of fractions were studied by laser light scattering and viscometry with dimethylsulfoxide (DMSO) containing 0.25M LiCl (0.25M LiCl/DMSO) as the solvent at 30°C. The dependences of [η] and the radius of gyration (?S ²?_z ^1/2) on M _w were found to be [η]=9.8×10^?2 M _w ^0.57 (cm³g^?1) and ?S ²?_z ^1/2=1.65×10^?2 M _w ^0.58 (nm) in the M _w range from 8.6×10⁵ to 2.6×10⁶. The analysis based on current theories for a wormlike chain showed that the chain conformational parameters of GM5‐1 were 4.2 nm for persistence length (q) and 833 nm^?1 for linear mass density (M_L) with an obvious excluded volume effect. The results suggested the alkali‐soluble polysaccharide behaves like a semiflexible chain in 0.25M LiCl/DMSO at 30°C.     

Molecular dynamics simulations of AOT reverse micelles' self-assembly

Formation of reverse micelles in the water–hexane–AOT system has been investigated by molecular dynamics simulations. In order to optimize calculation strategy, the starting spatial disposition of components was assumed to be random. Such an approach was found to provide a lower dependence of final results on initial conditions as compared to the calculations using pre-assembled reverse micelles as a starting geometry. The calculated structural parameters of reverse micelles (such as their shape, size, and distribution of components) were found to agree with the available experimental data.     

Growth and comparison of physicochemical properties of pure,Ca and Sr doped NH4Sb3F10 single crystals for electro optic applications

Single crystals of pure, Ca²⁺ and Sr²⁺ doped NH₄Sb₃F₁₀ are grown by slow evaporation technique. The effect of dopants on the growth and physicochemical properties also have been investigated and reported for the first time. The grown crystals are characterized with the aid of single crystal X-ray diffractometry to confirm the crystal structure. EDAX studies are done to confirm the presence of dopants in the crystal lattice. The vibrational frequencies of various group ligands in the crystals have been derived from the Fourier transform infrared (FT-IR) spectrum. From the optical absorption spectrum the band gap energy was calculated and it was found to be 5.76, 6.29 and 6.35 eV for pure, Ca²⁺ and Sr²⁺ doped NH₄Sb₃F₁₀ crystals respectively. Thermal stability of the sample has been analysed using TG-DTA analysis. The activation energy of pure, Ca²⁺ and Sr²⁺ doped NH₄Sb₃F₁₀ crystals were calculated from the dc conductivity measurements and it is found to be 0.2728, 0.2816 and 0.3622 eV Experimental results shows improved physicochemical properties when the dopant is added to the pure material.     

Spin coupling and magnetic field effects on the finite-size free energy and its non-extensivity for 1-D Ising model with nearest and next-nearest neighbor interactions in nanosystem

The effects of second-neighbor spin coupling interactions and a magnetic field are investigated on the free energies of a finite-size 1-D Ising model. For both ferromagnetic of nearest neighbor (NN) and next-nearest neighbor (NNN) spin coupling interactions, the finite-size free energy first increases and then approaches a constant value for any size of the spin chain. In contrast, when NNN and NN spin coupling interactions are antiferromagnetic and ferromagnetic, respectively, the finite-size free energy gradually decreases by increasing the competition factor and eventually vanishes for large values of it. When a magnetic field is applied, the finite-size free energy decreases with respect to the case of zero magnetic fields for both ferromagnetic and antiferromagnetic spin coupling interactions. Deviation of free energy per size for finite-size systems relative to the infinite system increases when the spin coupling interactions as well as the f parameter (the ratio of the magnetic field to NN spin coupling interaction) increase.     

Studies on the synthesis and characterization of Zn1− x Cd x S and Zn1− x Cd x S:Mn2+ semiconductor quantum dots

Quantum dots (3–4?nm) of Zn_{1? x} Cd _x S (both free of Mn²⁺ and with Mn²⁺ incorporated) were synthesized through a novel solvothermal-microwave irradiation technique. Detailed structural analysis of the Zn_{1? x} Cd _x S and Zn_{1? x} Cd _x S:Mn²⁺ (x?=?0, 0.25, 0.5, 0.75 and 1) materials was carried out using powder X-ray diffraction technique. For all the compositions, the crystallite size was controlled to less than 1.5?nm. The optical energy gap for Zn_{1? x} Cd _x S was found to vary from 3.878 to 2.519?eV and for Zn_1?x Cd _x S:Mn²⁺ it varies from 3.830 to 2.442?eV when x is increased from 0 to 1. Overall, the optical energy gap could be tuned from a minimum of 2.442?eV to a maximum of 3.878?eV. DC conductivity analysis (from 40°C to 150°C) and electrical energy gap analysis for all the compositions were also performed. The dc conductivity for Zn_{1? x} Cd _x S solid solutions varies from 0.3840?×?10^?10 to 8.7782?×?10^?10?mho/m at 150°C and for Zn_{1? x} Cd _x S:Mn²⁺ it varies from 0.5751?×?10^?10 to 9.8078?×?10^?10 mho /m at 150°C (for x?=?0 to x?=?1). The method of synthesis and the results observed in this investigation may assist in the fabrication of optical devices when the required operational performance falls under the range observed in the study.     

Scaled DFT Force Constants and Vibrational Spectrum of Cyclopropylamine

Abstract

The molecular structure and harmonic vibrational frequencies of cyclopropylamine have been calculated using the B3LYP density functional method with the 6‐31G(2d,2p) basis set. The scaled DFT force field gives very good reproduction of the experimental vibrational frequencies. Several of the vibrational fundamental modes assigned previously are reassigned on the basis of the B3LYP/6‐31G(2d,2p) method and the scaled force field calculations. The optimized scaling factors were used to scale the B3LYP/6‐31G(2d,2p) force field of cyclopropane and cyclopropylamine (–ND₂) molecules.     

Evaluation of the mechanical properties of PMC interface using slice compression test — Analysis of transfer mechanism of interfacial shear stress

Properties of the fiber/matrix interface in SiO₂/epoxy and SiC/epoxy composite are investigated using the slice compression test (SCT) for the single fiber, where the specimen is loaded and unloaded between a plate which has different mechanical properties. It is found that the interfacial debonding proceeds from the polished surface at a soft plate side and that the fiber protrusion occurs after unloading. The fiber-protrusion length is directly measured at each applied stress level using a scanning electron microscope. Interfacial shear-sliding stress is obtained based on the constant shear-sliding stress analysis employing the obtained protrusion length. It is demonstrated that the value of interfacial shear-sliding stress shows good agreement with that obtained from another technique, the push-out test, on the same system. The relation between the fiber-protrusion length and applied stress is proportional to a certain extent. From this result, it is analytically pointed out that the applied stress has a limiting value in this SCT because of Poisson's effect. Also, two interfacial debonding criteria, which are determined analytically for the PMC, are discussed.     

连续相位板远场焦斑能量集中度实验研究

在惯性约束聚变（ICF）研究过程中,焦面上聚焦光斑形态要求极为苛刻。基于离线测试平台,从实验上研究了各种应用误差对连续相位板（CPP）远场焦斑能量集中度的影响。得出光束旋转误差、口径误差、平移误差和倾斜误差在可控范围内CPP远场焦斑能量集中度均高于95%,其波动范围小于0.5%,CPP的容忍度较强。而实验畸变波前属于空间频率小于0.02 mm-1的低频波前,严重影响了CPP的整形能力,波前畸变是影响能量集中度高于90%的主要因素。     

Vibrational properties of the F A (Li+) center in alkali halides

Abstract

The on- or off-axis behavior and the vibrational properties of the F _A (Li⁺) center are investigated in several alkali halides by means of polarized resonant Raman scattering. The observed Raman modes are interpreted and classified according to their nature and frequency. A comparison between on- and off-axis systems and between the vibrational modes of the isolated Li⁺ and the F _A (Li⁺) center reveals a displacement of the Li⁺ equilibrium position parallel to the F _A (Li⁺) defect axis and, due to the small impurity size, away from the adjacent F center.