Diversity‐oriented synthesis

Diversity‐oriented synthesis (DOS), which describes the synthesis of structurally diverse collections of small molecules, was developed, in part, to address combinatorial chemistry's shortfalls. In this paper, we hope to give an indication of what can be achieved using the DOS approach to library generation. We describe some of the most successful strategies utilized in DOS, with special focus on our own area of interest; DOS from simple, pluripotent starting materials. © 2008 The Japan Chemical Journal Forum and Wiley Periodicals, Inc. Chem Rec 8: 129–142; 2008: Published online in Wiley InterScience ( www.interscience.wiley.com ) DOI 10.1002/tcr.20144     

Complexity of approximating the oriented diameter of chordal graphs

The oriented diameter of a bridgeless connected undirected (bcu) graph G is the smallest diameter among all the diameters of strongly connected orientations of G. We study algorithmic aspects of determining the oriented diameter of a chordal graph. We (a) construct a linear‐time approximation algorithm that, for a given chordal bcu graph G, finds a strongly connected orientation of G with diameter at most one plus twice the oriented diameter of G; (b) prove that, for every k ≥ 2 and k # 3, to decide whether a chordal (split for k = 2) bcu graph G admits an orientation of diameter k is NP‐complete; (c) show that, unless P = NP, there is neither a polynomial‐time absolute approximation algorithm nor an α‐approximation algorithm that computes the oriented diameter of a bcu chordal graph for α < . © 2004 Wiley Periodicals, Inc. J Graph Theory 45: 255–269, 2004     

含随机分布缺陷的多晶铁电材料的有效电弹性能

针对铁电材料含有随机分布缺陷以及微结构在外场作用下发生变化的特点,建立起一个细观统计力学模型,考虑到缺陷和酶极化转动之间的相互影响,利用细观力学方法－Eshelby等效夹杂法和Mori-Tanaka的平均理论,具体分析了所含缺陷以及外场对铁电材料有效电弹性能和模量的影响。针对BaTiO3铁电陶瓷的有效电弹性能与常数的预报结果表明了缺陷的存在将增强材料的压电性能。     

Chiral multi-electron emission

In this report we review recent progress in the understanding of the role of chirality in the multi-electron emission. A brief account of the chiral single-electron photoemission is given. In this case the chirality of the experimental set-up is brought about by an initial orientation of the target or/and by specifying a certain projection of the photoelectron spin. The dependence of the photoelectron spectrum on the chirality of the experiment is probed by changing the initial orientation of the target or by inverting the photoelectron spin projection. In a further section we envisage the direct transition of chiral electron pairs from an isotropic bound initial state into a double-continuum state following the absorption of a circularly polarised photon. We work out the necessary conditions under which the spectrum of the correlated photoelectron pair shows a chiral character, i.e. a dependence on the chirality of the exciting photon. The magnitude and the general behaviour of the chiral effects are estimated from simple analytical models and more elaborate numerical methods are presented for a more quantitative predictions. As a further example for the chiral multi-electron emission we study the photoelectron Auger-electron coincidence spectrum. The Auger hole is created by ionising a randomly oriented target by a circular polarised photon. We investigate how the helicity the photon is transferred to the emitted photoelectron pair. The theoretical findings are analysed and interpreted in light of recent experiments. In a final section we focus on the emission of correlated electrons where the initial state is already oriented, e.g. via optical pumping by circularly polarised light. The initial orientation of the atom is transferred to the continuum states following the ionisation of the target by low-energy electrons. We formulate and analyse the theoretical concepts for the transition of the screw sense of the initially bound atomic electron to the continuum electron pair. Numerical methods for the calculations of the cross-sections for the electron-impact ionisation of oriented atoms are presented and their results are contrasted against recent experimental data.     

Scenarios for Multistage Stochastic Programs

A major issue in any application of multistage stochastic programming is the representation of the underlying random data process. We discuss the case when enough data paths can be generated according to an accepted parametric or nonparametric stochastic model. No assumptions on convexity with respect to the random parameters are required. We emphasize the notion of representative scenarios (or a representative scenario tree) relative to the problem being modeled.     

Processing and characterization of oriented electrospun poly(vinylidene fluoride) mats

Mats of highly oriented poly(vinylidene fluoride) nanofibers were electrospun by means of a conventional electrospinning equipment; the orientation, however, was obtained using a disk collector rotating at a speed of 4000 rpm and a device that reduced the influence of air displacement during nanofiber orientation. Thermal transitions of the mats were determined by differential scanning calorimetry, the predominant crystalline phase by Fourier transform infrared spectroscopy and wide‐angle X‐ray scattering and the nanofiber orientation and morphology by scanning electron microscopy. Relative permittivity, loss index, stable remnant polarization, and coercive field of the mats were also determined and compared with those obtained for a mat electrospun at 2000 rpm and an oriented commercial film. © 2012 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 000: 000–000, 2012