Convergence of goal‐oriented adaptive finite element methods for nonsymmetric problems

In this article, we develop convergence theory for a class of goal‐oriented adaptive finite element algorithms for second‐order nonsymmetric linear elliptic equations. In particular, we establish contraction results for a method of this type for Dirichlet problems involving the elliptic operator with A Lipschitz, symmetric positive definite, with b divergence‐free, and with . We first describe the problem class and review some standard facts concerning conforming finite element discretization and error‐estimate‐driven adaptive finite element methods (AFEM). We then describe a goal‐oriented variation of standard AFEM. Following the recent work of Mommer and Stevenson for symmetric problems, we establish contraction and convergence of the goal‐oriented method in the sense of the goal function. Our analysis approach is signficantly different from that of Mommer and Stevenson, combining the recent contraction frameworks developed by Cascon, Kreuzer, Nochetto, and Siebert; by Nochetto, Siebert, and Veeser; and by Holst, Tsogtgerel, and Zhu. We include numerical results, demonstrating performance of our method with standard goal‐oriented strategies on a convection problem. © 2015 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 32: 479–509, 2016     

Score sets in oriented 3-partite graphs

Let D(U, V, W) be an oriented 3-partite graph with |U|=p, |V|=q and |W|= r. For any vertex x in D(U, V, W), let d x and d-x be the outdegree and indegree of x respectively. Define aui (or simply ai) = q r d ui - d-ui, bvj(or simply bj) = p r d vj - d-vj and Cwk (or simply ck) = p q d wk - d-wk as the scores of ui in U, vj in V and wk in Wrespectively. The set A of distinct scores of the vertices of D(U, V, W) is called its score set. In this paper, we prove that if a1 is a non-negative integer, ai(2≤i≤n - 1) are even positive integers and an is any positive integer, then for n≥3, there exists an oriented 3-partite graph with the score set A = {a1,2∑i=1 ai,…,n∑i=1 ai}, except when A = {0,2,3}. Some more results for score sets in oriented 3-partite graphs are obtained.     

补体C1q压电免疫传感器的研究

研制了一种可重复使用的压电免疫传感器用于检测补体C1q.比较了聚乙烯亚胺粘附、戊二醛交联法,物理吸附法以及蛋白A法三种固定化抗体蛋白的方法.使用蛋白A法,补体C1q在所测浓度范围内有良好的线性关系.使用过的晶片用0.1 mol/L柠檬酸盐缓冲溶液(pH 3.0)解吸,可重复使用4次.     

Molecular motion and relaxation studies of aliphatic polyureas by thermal windowing thermally stimulated depolarization current technique

Molecular motion and relaxation studies using a thermal windowing thermally stimulated depolarization current (TW‐TSDC) were performed for aliphatic polyureas 7 and 9. Global thermally stimulated depolarization current gave three characteristic major peaks corresponding to the α, β, and γ relaxation modes at 78.5, −44, and −136°C for polyurea 7 and at 80, −50, and −134°C for polyurea 9, respectively. The α relaxation is related to the large‐scale molecular motion due to micro‐Brownian motion of long‐range segments. This relaxation is significantly related to the glass‐transition temperature. The β relaxation is caused by the local thermal motion of long‐chain segments. The γ relaxation is caused by the limited local motion of hydrocarbon sections. Temperature dependence of relaxation times was expressed well using Vogel–Tammann–Fulcher (VTF) expression. 3‐D simulation of dielectric constants of dielectric strength and loss factor were performed in the frequency range from 10⁻⁶ to 10⁴ Hz and temperature range from −150 to 250°C, using the relaxation parameters obtained from the TW‐TSDC method. © 2000 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 38: 88–94, 2000     

Mechanical properties of oriented low‐density polyethylene with an oriented lamellar‐stack morphology

A quantitative study was undertaken of the anisotropy of low‐strain mechanical behavior for specially oriented polyethylene with controlled crystalline and lamellar orientation. The samples were prepared by the die drawing of injection‐molded rods of polyethylene and annealing. This produced a parallel lamellar structure for which a simple, three‐dimensional composite laminate model could be used to calculate the expected anisotropy. Experimental data, including X‐ray strain measurements of the lateral crystalline elastic constants, showed good quantitative agreement with the model prediction. The X‐ray strain measurements confirmed that the amorphous regions exert large constraints on the crystalline phase in the lateral directions, where an order of magnitude difference was found between the measured apparent lateral crystalline compliances in the lamellar‐stack sample and the expected values for a perfect crystal. © 2000 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 38: 755–764, 2000     

Structural Characterization of Y2Pd14B5

Y₂Pd₁₄B₅ is the major phase in as‐cast and annealed multiphase alloys with nominal compositions near YPd₅B₃C_0.3. Its crystal structure determined the first time here by single crystal X‐ray diffraction is body‐centered tetragonal (space group I4₁/amd). Transmission electron microscopy (TEM) reveals that in as‐cast specimens the tetragonal phase has a modulated structure and is oriented intergrown with a face‐centered cubic phase of similar composition, namely YPd₇B₂. According to Rietveld analyses of the multiphase system the structure of this phase can be well‐described by space group Fm m. Annealing the sample for 150 hrs at 973 K results in a coarsening and enrichment of the tetragonal phase as well as a disappearance of the modulations allowing a detailed structure analysis by single crystal diffractometry.     

Combinatorial chemistry: oh what a decade or two can do

This short commentary takes a stroll through the early days of the field of combinatorial chemistry and molecular diversity. It offers a high-level perspective on the field’s beginnings—and its future—as it relates to journals, books, pioneers, and advances.     

Simplification of the 1H NMR spectra of enantiomers dissolved in chiral liquid crystals, combining variable angle sample spinning and selective refocusing experiments

This work presents a technique to simplify overcrowded proton spectra in chiral liquid crystal solvents using rotation of the sample near the magic angle, VASS, combined with homonuclear selective refocusing 2D NMR experiments, SERF. This methodology provides a powerful tool to visualise enantiomers out of unresolved proton spectra. A modified SERF sequence is presented where the resulting 2D spectrum can be phased to increase the resolution. Accurate enantiomeric excesses are determined that are not possible to measure on static samples. Two examples are presented.     

应用型地方院校仪器分析实训教学的探索与实践——以导数紫外分光光度法实训为例

主要探讨将仪器实训教学引入到地方院校应用化学等相关专业的教学体系。尝试“任务领引型”实训模式,将所要学习的知识和实践技能蕴藏在一个或几个具体的任务中,让学生通过循序渐进完成一系列任务,提高学生的综合应用能力。通过教学实践获得较好效果。     

Raman spectrum study of graphite irradiated by swift heavy ions

Highly oriented pyrolytic graphites are irradiated with 40.5-Me V and 67.7-Me V ^112Sn-ions in a wide range of fluences： 1×10^11 ions/cm^2–1×10^14ions/cm^2. Raman spectra in the region between 1200 cm^-1 and 3500cm^-1 show that the disorder induced by Sn-ions increases with ion fluence increasing. However, for the same fluence, the amount of disorder is greater for 40.5-Me V Sn-ions than that observed for 67.7-Me V Sn-ions, even though the latter has a slightly higher value for electronic energy loss. This is explained by the ion velocity effect. Importantly, ～ 3-cm^-1frequency shift toward lower wavenumber for the D band and ～ 6-cm^-1 shift toward lower wavenumber for the 2D band are observed at a fluence of 1×10^14 ions/cm^2, which is consistent with the scenario of radiation-induced strain. The strain formation is interpreted in the context of inelastic thermal spike model, and the change of the 2D band shape at high ion fluence is explained by the accumulation of stacking faults of the graphene layers activated by radiation-induced strain around ion tracks. Moreover,the hexagonal structure around the ion tracks is observed by scanning tunneling microscopy, which confirms that the strains near the ion tracks locally cause electronic decoupling of neighboring graphene layers.