Ultrasonic polar scans: numerical simulation on generally anisotropic media

Ultrasonic polar scans are based on the recording of the reflected or transmitted amplitude of sound, impinging a fiber reinforced composite from every possible angle of incidence. The mechanical anisotropy of such materials makes the reflection coefficient direction dependent, whence an ultrasonic polar scan forms a fingerprint of the investigated material. Such scans have already proved to be very valuable in the characterization of composites. Simulations have been performed for single layered and multi-layered systems, for pulsed and harmonic waves. Fiber reinforced composites are mostly orthotropic. The current report presents simulations not only on orthotropic materials but on materials of any kind of anisotropy. These extended numerical simulations are not only valuable in the characterization of highly sophisticated composites, but may also be used to characterize thin slices of crystals and even layered crystals.     

Luminescence Characterization of a Novel, Hydrophobically Modified and Heavy Atom-Functionalized, Water-Soluble Polymer

A hydrophobically modified water-soluble polymer, based upon acrylic acid and styryl derivatives, was synthesized. A proportion (ca. 75 mol%) of the styryl residues in the copolymer contain a bromine substituent as a heavy-atom functionality. It has been shown that room-temperature phosphorescence (RTP) can be induced in an acenaphthylene (ACE) label, covalently bound to the polymer chain, through intramacromolecular interactions in dilute solutions of the copolymer. This is the first instance in which RTP has been generated in either label or solubilized guest, in such a fashion. The conformational behavior of the functionalized copolymer, BrSTY/STY/AA, has been studied using RTP, fluorescence lifetime, and time-resolved anisotropy measurements and compared to that of both its unbrominated, styrene-modified analogue, STY/AA, and poly(acrylic acid) PAA itself. The conformation transition which accompanies conversion of each polyacid into the corresponding fully neutralized polysalt is much more dramatic in either hydrophobically modified species than in poly(acrylic acid). Intramacromolecular aggregation leading to the creation of hydrophobic domains within the coils of the macromolecules is enhanced at a low pH and severely impedes segmental motion in the two styrene-modified polyacids. The effect is greater in the bromine-containing polymer, which suggests that more densely packed domains are formed in this species than in STY/AA. In addition to altering the magnitude of the effect that neutralization has upon the molecular dynamics of the polyacid in aqueous media, hydrophobic modification raises the pH range over which the change in conformational behavior of the macromolecule is apparent.     

Initiation and growth of wrinkling due to nonuniform tension in sheet metal forming

An experimental investigation was conducted on the initiation and growth of wrinkling due to nonuniform tension using the Yoshida buckling test. The initiation of wrinkling was detected by strain gages mounted on both surfaces of the samples in the loading and transverse directions. The bifurcation of aluminum auto body sheets appeared to be smooth and much less abrupt than that observed in a steel sheet. A special fixture was designed to, perhaps for the first time, continuously measure the in situ growth of the buckle heights so that the rates of buckle growth were monitored as functions of strain and stress in the loading direction. In contrast to what is commonly believed, it was found that the buckle height is not predominantly determined by the material yield strength, and lower averager value does not increase the rate of buckle growth. Crystallographic texture components and pole figures of the test materials were also measured, and the relationship of plastic anisotropy with wrinkling behavior was investigated by experiments with specimens aligned in the rolling direction, the transverse direction and 45-deg to the rolling direction of the sheet materials.     

溴和碘掺杂高取向反式聚乙炔导电性能各向异性研究

根据固体能带理论,用EHMO/CO方法,计算了高取向反式聚乙炔及溴和碘掺杂态的二维能带结构,讨论了其导电性能的各向异性.研究表明,平行和垂直于分子链方向的电导率之比(σ_///σ_⊥上)取决于这两个方向上能隙和带宽的大小掺杂后σ_///σ_⊥下降是由于掺杂剂使链间栖合作用增强所致.理论计算与实验结果一致.     

A NONCONFORMING ANISOTROPIC FINITE ELEMENT APPROXIMATION WITH MOVING GRIDS FOR STOKES PROBLEM

This paper is devoted to the five parameters nonconforming finite element schemes with moving grids for velocity-pressure mixed formulations of the nonstationary Stokes problem in 2-D. We show that this element has anisotropic behavior and derive anisotropic error estimations in some certain norms of the velocity and the pressure based on some novel techniques. Especially through careful analysis we get an interesting result on consistency error estimation, which has never been seen for mixed finite element methods in the previously literatures.     

Air-stable High Performance Macrocyclic Dysprosium (Ⅲ) Single-Ion Magnet北大核心CSCD

Designing and preparing air-stable high-performance single-molecule magnets (SMMs) is of great significance toward the implementation of SMMs in high-density information storage,quantum computation and molecular-based spintronics devices. Herein,an air-stable macrocyclic Dy (III) single-ion magnet with pentagonal bipyramidal local symmetry is obtained by the reaction between N,N'-bis (2-aminoethyl)-1,3-propanediamine and 2,6-diacetylpyridine with the dysprosium ion as template. Single crystal X-ray diffraction reveals that the dysprosium ion is encapsulated in the equatorial plane with BPh4− as counter anion and the axial position is occupied by two Ph3 SiO−. The state magnetic measurements gives the χM T value of 13. 96 cm3·K/mol at room temperature,close to the theoretical value of 14. 17 cm3·K/mol for one isolated Dy (III) ion. The dynamic magnetic measurements confirm its typical SMM behavior under a zero dc field with the effective magnetic reversal barrier up to 1008 K. Magneto-structural investigations show that the excellent SMM properties are attributed to the D5h local symmetry and the strongly axial crystal field created by two Ph3 SiO− for the dysprosium ion. Thermogravimetric analysis indicates that the compound is extremely air stable and the decomposition temperature reaches up to 297 ℃ ,which provides a promising avenue for depositing high performance SMMs on conductive substrate surfaces. © 2022, Science Press (China). All rights reserved.     

Interaction of pyrene-end-capped poly(ethylene oxide) with bovine serum albumin and human serum albumin in aqueous buffer medium: a fluorometric study

The photophysical behavior of a hydrophobically tailored water-soluble polymer, pyrene-end-capped poly(ethylene oxide) (PYPY), has been studied in aqueous buffered bovine serum albumin (BSA) and human serum albumin (HSA) media. In buffered aqueous solution the polymer shows dual emission corresponding to the monomer and the excimer of pyrene moiety. The relative intensity of the monomer to the excimer emission shows interesting variation with the addition of BSA and HSA and is indicative of significant interaction of these albumin proteins with the polymer. The binding interaction has been shown to have a prominent role on the steady state fluorescence anisotropy of the two emission bands. Attempt has been made to determine the micropolarities of the protein microenvironments from a comparison of the variation of the monomer to excimer relative fluorescence intensities of the probe in water–dioxane mixtures with varying composition.     

Time-dependent diffusion and transport calculations using a finite-element-spherical harmonics method

In this paper, the finite-element-spherical harmonics (FE-P_N) method is applied to the solution of transient Boltzmann transport equation. Firstly, transport and diffusion calculations are obtained for homogeneous and inhomogeneous circular regions. Results are compared in order to show the effects of different absorption coefficient values on the propagation of photons. Significant differences between two theories are shown to occur especially in cases when the absorption is increased. Secondly, to validate the FE-P_N method, results from this method are compared with Monte Carlo calculations for different cases. Comparisons show good agreements between FE-transport and Monte Carlo solutions and demonstrate the correctness of the results obtained.     

Calculation of anisotropic strain-engineered patterns of monolayer islands

The self-organization of monolayer epitaxy islands in presence of anisotropies in surface stress, applied stress, and lattice mismatch between the film and substrate materials is investigated. The fundamental nature of island interactions is addressed in the context of a model wherein the system free energy consists of the excess energy and strain energy of atomic surface steps. It is shown the anisotropy can change the character of island interactions. An energy-reducing kinetic relation is adopted to evolve an initially random morphology towards a generally metastable minimum energy state. It is found the self-organization of islands into a regular array requires both the repulsion between islands and tendency for islands to aligned in a particular direction. Small anisotropies provide the required repulsion but not the tendency for islands to align and large anisotropies provide the necessary alignment but cause islands to attract. Modest levels of anisotropy provide the most favorable conditions of self-organization.     

A kernel-free boundary integral method for elliptic boundary value problems

This paper presents a class of kernel-free boundary integral (KFBI) methods for general elliptic boundary value problems (BVPs). The boundary integral equations reformulated from the BVPs are solved iteratively with the GMRES method. During the iteration, the boundary and volume integrals involving Green’s functions are approximated by structured grid-based numerical solutions, which avoids the need to know the analytical expressions of Green’s functions. The KFBI method assumes that the larger regular domain, which embeds the original complex domain, can be easily partitioned into a hierarchy of structured grids so that fast elliptic solvers such as the fast Fourier transform (FFT) based Poisson/Helmholtz solvers or those based on geometric multigrid iterations are applicable. The structured grid-based solutions are obtained with standard finite difference method (FDM) or finite element method (FEM), where the right hand side of the resulting linear system is appropriately modified at irregular grid nodes to recover the formal accuracy of the underlying numerical scheme. Numerical results demonstrating the efficiency and accuracy of the KFBI methods are presented. It is observed that the number of GMRES iterations used by the method for solving isotropic and moderately anisotropic BVPs is independent of the sizes of the grids that are employed to approximate the boundary and volume integrals. With the standard second-order FEMs and FDMs, the KFBI method shows a second-order convergence rate in accuracy for all of the tested Dirichlet/Neumann BVPs when the anisotropy of the diffusion tensor is not too strong.