Inclusion of menadione with cyclodextrins studied by calorimetry and spectroscopic methods

Complex formation of menadione with α‐, hydroxypropyl α‐, β‐, hydroxypropyl‐β‐, methyl‐β‐ and hydroxypropyl‐γ cyclodextrins in aqueous solution at 298.15 K was studied by using isothermal titration calorimetry, ¹H NMR, and UV–vis spectrophotometry. The experimental data indicated the partial insertion of menadione into macrocyclic cavity upon formation of two alternative types of 1:1 inclusion complexes, whose thermodynamic parameters (K, Δ_cG⁰, Δ_cH⁰, and Δ_cS⁰) were calculated. The influence of host size on the complex formation process was analyzed. β‐Cyclodextrin and its hydroxypropylated and methylated derivatives were found more effective binders towards menadione than α‐ and γ‐cyclodextrins. Copyright © 2007 John Wiley & Sons, Ltd.     

Application of stereo vision to the study of mixed-mode crack-tip deformations

A stereo vision is applied to evaluate crack-tip parameters for fracture specimens subjected to a mixed-mode loading (tension and shear). By using a special loading device, the applied remote loading is oriented at an angle with respect to the axis of the crack. At each loading angle, the calibrated vision system was rotated so that the axis of the crack is parallel to the horizontal or vertical axis of the image frame. At a load close to the crack initiation, the displacement field around the crack-tip region of the fracture specimen was measured relative to a specimen coordinate system located at the crack tip of the fracture specimen. During the experiment, the fracture specimen was subjected to rigid body translation and rotation. Hence, the displacement fields are affected by the rigid body translation and rotation. Using the experimentally determined displacements and the analytically determined displacements with several higher order terms being included, the stress intensity factors and the amount of rigid body translation and rotation were calculated through a least-squares fit. The effect of the rigid body motion on the measured displacements was then eliminated using the computed rigid body translation and rotation. Experimental results indicate that a K_I and K_II dominant region is observed in the corrected displacement fields.     

The investigation of K‐shell fluorescence parameters of Zn–Fe alloys with different grain size and microstrain values

It is known that zinc alloys with iron group metals have better corrosion resistance than pure zinc. Owing to the corrosion resistance of these alloys, Zn–Fe coatings are widely used in automotive industry and have excellent mechanical performance. In this work, we investigated the relationship between the changes in the measured X‐ray fluorescence parameters (K_β/K_α, σ_Kα and σ_Kβ) and the changes in the structural parameters such as microstrain or grain size values for Zn–Fe alloys that were prepared with different pH values. To explain these changes, the K_α and K_βX‐ray production cross sections, and the K_β/K_αX‐ray intensity ratio values were calculated by three different ways for the elemental forms of Zn and Fe. The structural parameters, such as microstrain and grain size, were also calculated. We expect that the outer shell electronic distribution affects the structural parameters of the produced Zn–Fe alloys, changing the measured K_α and K_βX‐ray production cross sections, and the K_β/K_αX‐ray intensity ratio values. We also show that Zn–Fe alloy mi nimum microstrain value corresponds to the maximum changes in K_βX‐ray production cross‐section values of Fe and Zn. Copyright © 2017 John Wiley & Sons, Ltd.     

SH surface acoustic wave propagation in a cylindrically layered piezomagnetic/piezoelectric structure

SH surface acoustic wave (SH-SAW) propagation in a cylindrically layered magneto-electro-elastic structure is investigated analytically, where a piezomagnetic (or piezoelectric) material layer is bonded to a piezoelectric (or piezomagnetic) substrate. By means of transformation, the governing equations of the coupled waves are reduced to Bessel equation and Laplace equation. The boundary conditions imply that the displacements, shear stresses, electric potential, and electric displacements are continuous across the interface between the layer and the substrate together with the traction free at the surface of the layer. The magneto-electrically open and shorted conditions at cylindrical surface are taken to solve the problem. The phase velocity is numerically calculated for different thickness of the layer and wavenumber for piezomagnetic ceramics CoFe₂O₄ and piezoelectric ceramics BaTiO₃. The effects of magnetic permeability on propagation properties of SH-SAW are discussed in detail. The distributions of displacement, magnetic potential and magneto-electromechanical coupling factor are also figured and discussed.     

Chemical Effect on L X-ray Intensity Ratios of Mercury,Lead, and Bismuth

INTRODUCTION

The information regarding the experimental values of K and L X-ray intensity ratios are important due to its wide use in many areas of basic and applied science and non-destructive elemental analysis of materials using the X-ray fluorescence technique. Chemical effects on K and L X-ray intensity ratios are not very well known, but they are an interesting subject. Some studies [1–4] addressing chemical effects on the K_β/K_α intensity ratios have been made. We investigated chemical effects [5–7] and alloying effects [8] on the K_β/K_α intensity ratios, and measured K_β/K_α intensity ratios following radioactive decay and photoionisation [9]. But there are few studies addressing chemical effects on the L X-rays intensity ratios. Iihara et a1.[10] examined chemical effects on chromium L X-rays.     

Measurements of L subshell and L shell x‐ray fluorescence cross‐sections for U and Th

The Ll, Lα_{1, 2}, Lη, Lβ₆, Lβ_{2, 4, 15, 17}, Lβ_{1, 3, 5}, Lβ_{9, 10}, Lγ₁, Lγ_{2, 3, 6, 8}, Lγ_4,4′ and Lγ₅ x‐ray fluorescence cross‐sections for U and Th were measured at 59.5 keV incident photon energy by using theoretical L_i subshell photoelectric cross‐sections, fluorescence and Coster–Kronig yields and fractional emission rates, and calculated theoretically by using atomic parameters. The measured values were compared with the theoretical values and experimental results available in the literature. Copyright © 2003 John Wiley & Sons, Ltd.     

Raman and infrared,microwave spectra,conformational stability,adjusted r0 structural parameters,and vibrational assignments of cyclopentylamine

Fourier transform microwave spectrum of cyclopentylamine, c–C₅H₉NH₂ has been recorded, and seven transitions have been assigned for the most abundant conformer, and the rotational constants have been determined: A = 4909.46(5), B = 3599.01(4), and C = 2932.94(4). From the determined microwave rotational constants and ab initio MP2(full)/6‐311 + G(d,p) predicted structural values, adjusted r₀ parameters are reported with distances (Å): rC_α–C_β = 1.529(3), rC_β–C_γ = 1.544(3), rC_γ–C_γ = 1.550(3), rC_α–N = 1.470(3), and angles (°) ∠CCN = 108.7(5), ∠C_βC_αC_β = 101.4(5), and τC_βC_αC_β′C_γ′ = 42.0(5). The infrared spectra (4000–220 cm⁻¹) of the gas have been recorded. Additionally, the variable temperature (−60 to −100 °C) Raman spectra of the sample dissolved in liquefied xenon was recorded from (3800–50 cm⁻¹). The four possible conformers have been identified, and their relative stabilities obtained with enthalpy difference relative to t‐Ax of 211 ± 21 cm⁻¹ for t‐Eq ≥ 227 ± 22 cm⁻¹ for g‐Eq ≥ 255 ± 25 cm⁻¹ for g‐Ax. The percentage of the four conformers is estimated to be 53% for the t‐Ax, 11 ± 1% for t‐Eq, 20 ± 2% for g‐Ax and 16 ± 2% for g‐Eq at ambient temperature. The conformational stabilities have been predicted from ab initio calculations by utilizing several different basis sets up to aug‐cc‐pVTZ from both MP2(full) and density functional theory calculations by the B3LYP method. Vibrational assignments have been provided for the observed bands for all four conformers, which are predicted by MP2(full)/6‐31G(d) ab initio calculations to predict harmonic force constants, wavenumbers, infrared intensities, Raman activities, and depolarization ratios for all of the conformers. The results are discussed and compared to the corresponding properties of some related molecules. Copyright © 2014 John Wiley & Sons, Ltd.     

Intense laser field effect on impurity states in a semiconductor quantum well: transition from the single to double quantum well potential

In this work are studied the intense laser effects on the impurity states in GaAs-Ga_{1− x} Al _x As quantum wells under applied electric and magnetic fields. The electric field is taken oriented along the growth direction of the quantum well whereas the magnetic field is considered to be in-plane. The calculations are made within the effective mass and parabolic band approximations. The intense laser effects have been included through the Floquet method by modifying the confinement potential associated to the heterostructure. The results are presented for several configurations of the dimensions of the quantum well, the position of the impurity atom, the applied electric and magnetic fields, and the incident intense laser radiation. The results suggest that for fixed geometry setups in the system, the binding energy is a decreasing function of the electric field intensity while a dual monotonic behavior is detected when it varies with the magnitude of an applied magnetic field, according to the intensity of the laser field radiation.     

Low-energy γp scattering and determination of proton polarizabilities

For the first time, an analysis of all experimental data on the differential cross section for elastic γp scattering at photon energies below 150 MeV is performed in order to determine the electric (α _p) and magnetic (β _p) polarizabilities of the proton. A fit to these data with two free parameters α p and β _p embedded into the theoretical cross section obtained on the basis of finite-energy s-channel dispersion relations gives the following world-average values of the proton polarizabilities: α _p=11.7±0.8 (stat.+syst.)±0.7 (model), β _p=2.3±0.9 (stat.+syst.)±0.7 (model) in units of 10^?4 fm³. The first error is combined—it takes into account the statistical and systematic errors in the experimental cross sections—while the second error comes from the theoretical uncertainties in the dispersion-theory cross sections.     

Presheath in Fully Ionized Collisional Plasma in a Magnetic Field

The quasineutral presheath layer at the boundary of fully ionized, collisional, and magnetized plasma with an ambipolar flow to an adjacent absorbing wall was analyzed using a two fluid magneto‐hydrodynamic model. The plasma is magnetized by a uniform magnetic field B , imposed parallel to the wall. The analysis did not assume that the dependence of the particle density on the electric potential in the presheath is according to the Boltzmann equilibrium, and the dependence of the mean collision time τ on the varying plasma density within the presheath was not neglected. Based on the model equations, algebraic expressions were derived for the dependence of the plasma density, electron and ion velocities, and the electrostatic potential on the position within the presheath. The solutions of the model equations depended on two parameters: Hall parameter (β ), and the ratio (γ ), where γ = ZT_e /(ZT_e + T_i ), and T_e , T_i and Z are the electron and ion temperatures and ionicity, respectively. The characteristic scale of the presheath extension is several times r_i /β , where r_i is the ion radius at the ion sound velocity. The electric potential could have a non monotonic distribution in the presheath. The ions are accelerated to the Bohm velocity (sound velocity) in the presheath mainly near the presheath‐sheath boundary, in a layer of thickness ～r_i /β . The electric field accelerates the ions in the whole presheath if their velocity in the wall direction exceeds their thermal velocity. (© 2005 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Angular Dependence of L X-ray Relative Intensities of Uranium and Thorium at 59.5 keV

INTRODUCTION

The knowledge of relative intensities of K, L and higher shell X-rays is needed for the investigation of various phenomena in atomic physics. In earlier studies, L X-ray relative intensities and energies have been reported for many elements by several investigators [1–5], but the angular dependence of L X-ray relative intensity has not been reported. According to Flugge et a1 [6], if the angular momentum J=1/2 and J>1/2 of the originating shell, then the angular distribution of X-rays is isotropic and anisotropic, respectively. From this idea, L_α, L_l and some of L_β, intensities are dependent on changing the scattering angles. In this study, we have measured the angular dependence of L_α, La_l, L_α/L_β, and L_α/L_γ, intensity ratios of U and Th at different angles varying from 45° to 135°.     

L x‐ray fluorescence cross‐sections of heavy elements in the atomic region 57 ≤ Z ≤ 71 excited by 17.78 keV photons

L x‐ray fluorescence cross‐sections (σ_Lα, σ_Lβ, and σ_Lγ) were measured with an accuracy of 6% (except for the Lγ x‐ray line around 8%) for La, Pr, Nd, Sm, Eu, Gd, Tb, Dy, Ho, Tm, Yb and Lu at an excitation energy of 17.78 keV. Relative intensities I_Kβ/I_Kα and I_Lγ/I_Lα were also measured for the same elements. The measured cross‐sections were compared with experimental and theoretical values. Measurements of the emitted x‐rays were performed using an Si(Li) detector. Copyright © 2004 John Wiley & Sons, Ltd.     

铝-镉-铜三元系富铜合金相图

铝-镉-铜三元系富铜合金相图的室温固相截面已用X-射线方法测定。合金含量最高达30％(重量)铝及30％镉。室温相截面由五个单相区α,γ₂,δ,ζ₂,η₂;十个两相区α+β,α+γ₂,β+γ₂,γ₂+δ,β+δ,δ+ζ₂,ζ₂+η,η₂+δ,η₂+β,η₂+θ及四个三相区α+β+γ₂,β+γ₂+δ,β+δ+η₂,δ+ζ₂+η₂所构成。没有发现新相。     

氮化硅α，β和γ相的解析状态方程和热物理性质

对固体通用状态方程考虑热效应的Einstein模型进行修正，提出一种利用参考温度下的实验数据计算绝对零度下物质参数的方法，并用于Baonza方程以考虑热效应.结果表明，对于Baonza方程，零温下的参数可以解析地求解出来，常用的热物理量也可以推出解析表达式.将得出的公式用于研究氮化硅α，β和γ相的热物理性质.通过对文献的分析确定了这三种相的方程参数，计算的体积随压强变化和热膨胀系数随温度变化的结果与实验数据符合很好.     

Pressure-induced phase transition in silicon nitride material

The equilibrium crystal structures,lattice parameters,elastic constants,and elastic moduli of the polymorphs α-,β-,and γ-Si3N4,have been calculated by first-principles method.β-Si3N4 is ductile in nature and has an ionic bonding.γSi3N4 is found to be a brittle material and has covalent chemical bonds,especially at high pressures.The phase boundary of the β→γ transition is obtained and a positive slope is found.This indicates that at higher temperatures it requires higher pressures to synthesize γ-Si3N4.On the other hand,the α→γ phase boundary can be described as P = 14.37198+ 3.27 × 10?3T-7.83911 × 10?7T2-3.13552 × 10?10T3.The phase transition from α-to γ-Si3N4 occurs at 16.1 GPa and 1700 K.Then,the dependencies of bulk modulus,heat capacity,and thermal expansion on the pressure P are obtained in the ranges of 0 GPa-30 GPa and 0 K-2000 K.Significant features in these properties are observed at high temperatures.It turns out that the thermal expansion of γ-Si3N4 is larger than that of α-Si3N4 over wide pressure and temperature ranges.The evolutions of the heat capacity with temperature for the Si3N4 polymorphs are close to each other,which are important for possible applications of Si3N4.     

Estimating the sizes of surface cracks based on Hall element measurements of the leakage magnetic field and a dipole model of a crack

A method is proposed for estimating the sizes of surface cracks in magnetic materials. The method is based on applying a magnetic field, then determining the leakage magnetic field in the vicinity of a crack by moving a Hall element on the surface of the material along one or two scanning lines crossing the crack, and measuring the corresponding Hall voltage distribution. A dipole model of a crack is utilized, in which a surface crack is considered as being full of magnetic dipoles aligned parallel to the applied field, and whose density varies linearly along the depth of the crack. Analytical expressions are derived for the z-component of the intensity of the leakage magnetic field, and for the measured Hall voltage in the vicinity of a crack with an arbitrary cross-section along its long axis when it is perpendicular to the applied field. The crack sizes and the parameters of the distribution of magnetic dipoles along the crack depth are computed by crack inversion, which represents a regression for the Hall voltage distribution. A variable theoretical Hall voltage distribution is fitted to the measured Hall voltage distribution by minimizing the corresponding RMS error, which gives the unknown parameters at the end of the minimization. Hall voltage distributions are measured on ferromagnetic steel samples containing one artificial surface crack. Some crack inversions are performed for estimating the maximum crack depth and the crack width of cracks with rectangular and isosceles triangular cross-sections along the long crack axis. The accuracy of these crack inversions increases by utilizing either Hall voltage distributions measured along only one of the scanning lines, instead of along both scanning lines, or by using more precisely measured Hall voltage distributions. The fast and accurate estimation of the maximum crack depth and the crack width by such crack inversions could be important for pipeline inspection. Other crack inversions are performed for determining the cross-section along the long axis of the investigated cracks with satisfactory results. Received: 2 March 2001 / Accepted: 10 April 2001 / Published online: 25 July 2001     

违反标度定律的一种相变模型

本文准确地求得了一种三维八顶点模型(能量参数满足条件ε₁+ε₂=ε₃+ε₄)的全部临界指数:α=α′=0,β=1/4,δ=7,γ=1/2,γ′=3/2,ν=ν′=1,η=3/2。它们不满足标度定律,其原因是在相变时极化关联的范围发生了收缩(从晶面(1,1,1)和(1,1,1)收缩成晶轴[1,0,1]。     

Ageing characteristics of the metastable gamma phase in U–9 wt.% Mo alloy: experimental observations and thermodynamic validation

Ageing characteristics of the metastable bcc γ-phase in U–9 wt.% Mo alloy, a candidate for high uranium density nuclear fuel for research and test reactors, have been investigated in this study. Analyses of the aged microstructures, employing X-ray diffraction and various microscopy techniques, revealed the decomposition mechanism of the metastable γ-phase to the stable α-U and γ′ (U₂Mo) phases. A discontinuous precipitation reaction, leading to the generation of partially transformed cellular colonies with lamellae comprising of either the α-phase or the γ′-phase in γ-phase matrix, was found to be operative. The in situ transformation of γ interlamellar regions to the γ′-phase was noticed occasionally within the γ + α lamellar colonies. Thermodynamic analysis of the U–Mo system, using free energy–composition diagrams, could associate the observed attributes of the decomposition of γ-phase to the extent of Mo segregation and the chemical driving force required for the nucleation of α- and γ′-phases in the γ-matrix.