Completing orientations of partially oriented graphs

We initiate a general study of what we call orientation completion problems. For a fixed class of oriented graphs, the orientation completion problem asks whether a given partially oriented graph P can be completed to an oriented graph in by orienting the (nonoriented) edges in P. Orientation completion problems commonly generalize several existing problems including recognition of certain classes of graphs and digraphs as well as extending representations of certain geometrically representable graphs. We study orientation completion problems for various classes of oriented graphs, including k‐arc‐strong oriented graphs, k‐strong oriented graphs, quasi‐transitive‐oriented graphs, local tournaments, acyclic local tournaments, locally transitive tournaments, locally transitive local tournaments, in‐tournaments, and oriented graphs that have directed cycle factors. We show that the orientation completion problem for each of these classes is either polynomial time solvable or NP‐complete. We also show that some of the NP‐complete problems become polynomial time solvable when the input‐oriented graphs satisfy certain extra conditions. Our results imply that the representation extension problems for proper interval graphs and for proper circular arc graphs are polynomial time solvable. The latter generalizes a previous result.     

Shear Induced Crystallization,a Relaxation Phenomenon in Polymer Melts: A Re‐Collection

Thread‐like nuclei for the crystallization of polymers which are formed at high deformation rates in a temperature range close to the equilibrium melting point appear to be practically stable at temperatures where spherulites are melting. However, the fact that the great majority of experiments on flow induced crystallization have been carried out at temperatures below the melting temperature of the spherulites leads to the conclusion that the precursors for elongated structures, as formed under those conditions, are practically stable from the moment of their creation. In other words: their relaxation times are much longer than any deformation time applied. As a consequence, deformation times as independent parameters lose their importance in these experiments. Long lasting deformations under low stresses can yield the same precursors as short term deformations under high loads. Apparently the only condition is that the applied specific work is the same.     

Stretch-Induced Shish-Kebabs in Rubbery Poly(L-Lactide)

The oriented crystallization in stretched rubbery poly(L-lactide) has been studied with the aid of in-situ rheo-Fourier transform infrared spectroscopy (FTIR) measurements and morphological observations. The oriented segments that survived after stretching are first transformed into shish structure composed of helical sequences via intra-chain conformational ordering and propagation, followed by the transverse growth of kebabs from the coiled chains in the surrounding matrix. Moreover, the formation of shish structure and kebabs shows different dependences on the stretching temperature as a result of different controlling molecular processes.     

Analysis and Validation of a Mathematical Model for Intracranial Pressure Dynamics

Lumped parameter, compartmental models provide a promising Method for mathematically studying the dynamics of human intracranial pressure. In this modeling approach, a system of fully time-dependent differential equations for interacting compartmental pressures is obtained by considering the intracranial system to be confined within the almost-rigid skull and developing continuity equations associated with conservation of mass. Intracranial volumes and flows are related to compartmental pressure differences through compliance and resistance parameters. In the nonlinear case where compliances are not constant, there is a lack of physical information about these parameters. Consequently, it is vital that any mathematical model with an assumed pressure-dependent compliance be validated through comparison with experimental data. The present work develops a logistic representation for the compliance between the cerebrospinal fluid and brain matter compartments. The nonlinear mathematical model involving this logistic compliance is validated here by comparing its predicted response for bolus injections of cerebrospinal fluid to laboratory data generated in an animal model. Comparison with the animal studies fully supports the validity of the mathematical model with the logistic compliance.     

Searching for perfection on hypergraphs

In this paper we study the family of oriented transitive 3-hypergraphs that arise from cyclic permutations and intervals in the circle, in order to search for the notion of perfection on hypergraphs.     

以问题为导向的点-面式教学法在药剂学教学中的应用——以“手性”知识的教学为例

在药剂学课程教学中,为讲解传授“手性”相关的知识和概念,设计了一种新的教学法,并进行了实践应用。通过对该教学方法的总结和提炼,将以上教学法命名为“以问题为导向的点-面式教学法”。该教学法是以“反应停”具体事例为问题引导,提出和确定问题后,引出知识点,从药学相关领域知识面展开教学活动后,进行知识点总结,最后达成最终的教学目标。该教学法对教学实践工作有一定的参考价值。     

Porous carbon nanospheres with moderately oriented domains for EDLC electrode

Porous carbon nanospheres with moderately oriented microcrystalline structures were prepared via a relatively simple synthetic route in this article. CTAB acted as a structure‐directing agent to induce small sulfonated pitch (SP) pieces to assemble orderly. By this means, the formation of carbon nanospheres was simultaneous with the moderate orientation of carbon microcrystalline without additional process. Owing to the moderately oriented microcrystalline structures, the resultant sample CNS3 possessed a high e‐conductivity of 62.5 S/m. When used as an electrode material for EDLCs, it showed excellent electrochemical properties even without any conductive agent. In an organic electrolyte, the resultant sample CNS3 possessed a high specific capacitance of 155 F/g at 20 A/g and outstanding cycle life with 94.2% capacity retention after 10,000 cycles. This work puts forward a novel design for carbon nanospheres with moderately oriented domains by a simple and energy‐efficient means.     

POD enriched boundary models and their optimal stabilisation

Modes obtained using the Proper Orthogonal Decomposition are used as boundary enrichment functions within a variational multiscale method for the stochastically forced Burgers equation. Initially, large increases in accuracy are obtained using the enrichment functions without stabilisation terms. Then, optimal coefficients for the stabilisation parameter τ of the unresolved scale model are calibrated using a goal‐oriented model‐constrained optimisation technique, resulting in further improvements. As both the determination of the enrichment functions and the optimisation of the coefficients requires high‐accuracy reference data, a scaling procedure is introduced to allow their use over range of conditions. Numerical experiments confirm that the scaling procedure is effective. Copyright © 2014 John Wiley & Sons, Ltd.     

Oscillatory shear‐induced alignment of ketjen black conductive particles in polylactic acid and its effect on the electrical anisotropy

This study aligned Ketjen black (KB) particles along one preferred direction in a polylactic acid (PLA) matrix using an oscillatory shear flow and investigated the effect of aligned KB on the electrical anisotropy. Under the oscillatory shear, the KB particles are aligned along the flow direction in the PLA matrix, resulting in an oriented conductive network. When the concentration of KB is in the range of 0.88–1.56 vol %, the electrical volume resistivity along the flow direction (ρ_∥) decreases to ～3 × 10⁴ Ω m and that perpendicular to the flow direction (ρ_⊥) remains at ～1 × 10¹⁰ Ω m, showing an extremely large electrical anisotropy, and the ρ_⊥/ρ_∥ value is 3–4 orders of magnitude higher than that of previously reported carbon‐nanotube‐based electrical anisotropic composites. This strong anisotropy is attributed to the preferential alignment of KB particles with lower percolation threshold for conductive path along the flow direction. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2016 , 54, 369–373     

Efficient polarized basis sets for evaluation of static and dynamic molecular electric properties

New medium size Gaussian‐type basis set R‐ORP for evaluation of static and dynamic electric properties in molecular systems is presented. It is obtained in a close resemblance to the original ORP basis set, from the source basis set through addition of two first‐order polarization functions whose exponent values are optimized with respect to the finite field restricted open‐shell Hartree–Fock (ROHF) atomic polarizabilities. As the source set the VTZ basis set of Ahlrichs and coworkers, augmented with additional diffuse functions and contracted to the form [6s/3s] for hydrogen and [11s7p/4s3p] for carbon through fluorine, is chosen. The resulting basis set is of the form [6s2p/3s2p] for hydrogen and [11s7p2d/4s3p2d] for other atoms. Presented basis set is next tested in the CCSD static and dynamic molecular polarizability and hyperpolarizability calculations for a set of ten and four test molecules, respectively, for which very accurate reference data exist. Additionally, the recently developed ORP basis set is employed in the calculations to examine the limits of its applicability. Results are compared to the literature data obtained in both, large and diffuse, as well as reduced‐size basis sets. In the case of polarizability calculations, the aug‐pc‐1 and R‐ORP are the optimal choices among the investigated smaller basis sets, with the overall performance of the aug‐pc‐1 set being better. Among the larger sets, the ORP performs better in the case of average polarizability, while the RMSE values for polarizability anisotropy are practically identical for d‐aug‐cc‐pVDZ and ORP sets. Finally, the R‐ORP and ORP basis sets compete other small bases in the evaluation of the first hyperpolarizability in investigated systems. © 2016 Wiley Periodicals, Inc.