Goal‐oriented space–time adaptivity in the finite element Galerkin method for the computation of nonstationary incompressible flow

This paper presents a general strategy for designing adaptive space–time finite element discretizations of the nonstationary Navier–Stokes equations. The underlying framework is that of the dual weighted residual method for goal‐oriented a posteriori error estimation and automatic mesh adaptation. In this approach, the error in the approximation of certain quantities of physical interest, such as the drag coefficient, is estimated in terms of local residuals of the computed solution multiplied by sensitivity factors, which are obtained by numerically solving an associated dual problem. In the resulting local error indicators, the effects of spatial and temporal discretization are separated, which allows for the simultaneous adjustment of time step and spatial mesh size. The efficiency of the proposed method for the construction of economical meshes and the quantitative assessment of the error is illustrated by several test examples. Copyright © 2012 John Wiley & Sons, Ltd.     

预延伸非晶聚合物材料各向异性变形局部化

给出一种可描述预延伸各向异性特性的背应力张量三维表达式，引入大变形弹塑性有限元驱动应力法，结合ＢＰＡ８ 链细观分子网络模型，模拟了预延伸各向异性非晶聚合物材料平面应变拉伸变形局部化力学行为．详细讨论了预延伸比（ＩｎｉｔｉａｌＤｒａｗｉｎｇＲａｔｉｏ；ＩＤＲ）和预延伸方向（ＩｎｉｔｉａｌＤｒａｗｉｎｇＤｉｒｅｃｔｉｏｎ；ＩＤＤ）对变形抗力、颈缩规律、剪切带方向以及试件中心部位链延伸比的影响．     

切槽爆破中V形切槽产生的力学效应研究

本文详细研究了切槽爆破中V形切槽在爆炸冲击波的动态压力和爆生气体的准静态压力作用下产生的力学效应。在此基础上,进一步阐明了V形切槽对岩石定向破裂的控制机理,提出了切槽爆破中裂缝扩展的力学判据。最后,对所得结论用实验结果进行了验证。     

Optimal control of wave-packets: a semiclassical approach

We studied the optimal quantum control of a molecular rotor in tilted laser fields using the time-sliced Herman–Kluk propagator for the evaluation of the optimal pulse and the light–dipole interaction as the control mechanism. The proposed methodology was used to study the effects of an optimal pulse on the evolution of a wave-packet in a double-well potential and in the effective potential of a molecular rotor in a collinear tilted fields setup. The amplitude and frequency of the control pulse were obtained in such a way that the transition probability between two rotational wave-packets was maximised.     

高反射效率高定向性的热解石墨晶体X射线谱仪

基于高定向热解石墨晶体(highly oriented pyrolitic graphite,HOPG)研制了一种新型反射式X射线谱仪.该谱仪具有高反射效率、较高能谱分辨率及相对较宽的能谱测量范围.根据计算,在相同的入射条件下,该谱仪的效率比一般X射线弯晶谱仪高3个量级;谱仪能谱分辨率理论值最高达350;理论探测范围是6.891keV至9.193 keV.我们将该谱仪应用在高功率密度激光与固体靶相互作用的实验中,发现在普通弯晶谱仪无法采到信号的实验条件下,HOPG谱仪依然采集到清晰的Cu K谱线.分析发现在8.048 keV(Cu的Kα光子能量)附近的能谱分辨能力最高达到40 eV,分辨率大于200.     

Switching Reconstruction of Digraphs

Switching about a vertex in a digraph means to reverse the direction of every edge incident with that vertex. Bondy and Mercier introduced the problem of whether a digraph can be reconstructed up to isomorphism from the multiset of isomorphism types of digraphs obtained by switching about each vertex. Since the largest known nonreconstructible oriented graphs have eight vertices, it is natural to ask whether there are any larger nonreconstructible graphs. In this article, we continue the investigation of this question. We find that there are exactly 44 nonreconstructible oriented graphs whose underlying undirected graphs have maximum degree at most 2. We also determine the full set of switching‐stable oriented graphs, which are those graphs for which all switchings return a digraph isomorphic to the original.     

Pt?M (M=Cu,Co, Ni,Fe) Nanocrystals: From Small Nanoparticles to Wormlike Nanowires by Oriented Attachment

Pt? M (M=Cu, Co, Ni, Fe) wormlike nanowires with excellent catalytic activities were produced by a hydrothermal method. Based on the experiment results, Pt? M nanoparticles grew into nanowires through oriented attachment. The electrocatalytic activities of these nanowires toward methanol oxidation were also studied by cyclic voltammetry and chronoamperometry measurements. The synthesized Pt? M nanowires showed higher catalytic activity and stability for methanol oxidation than Pt nanowires and commercial Pt black.     

Effect of NH4OH concentration on p-type doped ZnO film by solution based process

Highly oriented and large scale p-type ZnO:Al:N films have been successfully synthesized by a simple, solution-based approach. In this approach, p-type doping of zinc oxide was achieved using combination of aqueous ammonia, zinc acetate and aluminium chloride. X-ray diffraction (XRD) analysis, scanning electron microscopy (SEM), photoluminescence and Hall measurements indicate that the structure of the ZnO:Al:N films were highly influenced by aqueous ammonia concentration. Excessive aqueous ammonia results in randomly oriented film with excessive precipitation.     

Formation and Dissolution of Twin ZnO Nanostructures Promoted by Water and Control over Their Emitting Properties

By using ZnO as a model system, the formation of twinned nanostructures has been investigated under microwave irradiation, exploiting experimental conditions ranging from purely solvothermal when N,N‐dimethylformamide was used, to purely hydrothermal when water was the solvent. A progressive increase in size, elongation and roughness of the surface was observed with increasing water content in the solvent mixture. Particular attention was paid to the reactivity of the ZnO surfaces towards dissolution. Our results show that the formation of twinned nanorods is a dynamic process and that the coupling interphase itself is highly reactive. Consequently, the twinned rods undergo a number of complex dissolution processes that are responsible for the appearance of a wide distribution of defects either on the surface or inside the structure. Poly(N‐vinyl pyrrolidone) influences the photoluminescent properties of the as‐synthesised materials and allows control of the ratio of the intensity of the UV and visible emission.     

Oriented Circular Dichroism Analysis of Chiral Surface‐Anchored Metal–Organic Frameworks Grown by Liquid‐Phase Epitaxy and upon Loading with Chiral Guest Compounds

Oriented circular dichroism (OCD) is explored and successfully applied to investigate chiral surface‐anchored metal–organic frameworks (SURMOFs) based on camphoric acid (D‐ and Lcam) with the composition [Cu₂(Dcam)_2x(Lcam)_2?2x(dabco)]_n (dabco=1,4‐diazabicyclo‐[2.2.2]‐octane). The three‐dimensional chiral SURMOFs with high‐quality orientation were grown on quartz glass plates by using a layer‐by‐layer liquid‐phase epitaxy method. The growth orientation, as determined by X‐ray diffraction (XRD), could be switched between the [001] and [110] direction by using either OH‐ or COOH‐terminated substrates. These SURMOFs were characterized by using OCD, which confirmed the ratio as well as the orientation of the enantiomeric linker molecules. Theoretical computations demonstrate that the OCD band intensities of the enantiopure [Cu₂(Dcam)₂(dabco)]_n grown in different orientations are a direct result of the anisotropic nature of the chiral SURMOFs. Finally, the enantiopure [Cu₂(Dcam)₂(dabco)]_n and [Cu₂(Lcam)₂(dabco)]_n SURMOFs were loaded with the two chiral forms of ethyl lactate [(+)‐ethyl‐D ‐lactate and (?)‐ethyl‐L ‐lactate)]. An enantioselective enrichment of >60 % was observed by OCD when the chiral host scaffold was loaded from the racemic mixture.