Group‐in‐a‐Box Meta‐Layouts for Topological Clusters and Attribute‐Based Groups: Space‐Efficient Visualizations of Network Communities and Their Ties

An important part of network analysis is understanding community structures like topological clusters and attribute‐based groups. Standard approaches for showing communities using colour, shape, rectangular bounding boxes, convex hulls or force‐directed layout algorithms remain valuable, however our Group‐in‐a‐Box meta‐layouts add a fresh strategy for presenting community membership, internal structure and inter‐cluster relationships. This paper extends the basic Group‐in‐a‐Box meta‐layout, which uses a Treemap substrate of rectangular regions whose size is proportional to community size. When there are numerous inter‐community relationships, the proposed extensions help users view them more clearly: (1) the Croissant–Doughnut meta‐layout applies empirically determined rules for box arrangement to improve space utilization while still showing inter‐community relationships, and (2) the Force‐Directed layout arranges community boxes based on their aggregate ties at the cost of additional space. Our free and open source reference implementation in NodeXL includes heuristics to choose what we have found to be the preferable Group‐in‐a‐Box meta‐layout to show networks with varying numbers or sizes of communities. Case study examples, a pilot comparative user preference study (nine participants), and a readability measure‐based evaluation of 309 Twitter networks demonstrate the utility of the proposed meta‐layouts.     

New Bounds on the Size of Optimal Meshes

The theory of optimal size meshes gives a method for analyzing the output size (number of simplices) of a Delaunay refinement mesh in terms of the integral of a sizing function over the input domain. The input points define a maximal such sizing function called the feature size. This paper presents a way to bound the feature size integral in terms of an easy to compute property of a suitable ordering of the point set. The key idea is to consider the pacing of an ordered point set, a measure of the rate of change in the feature size as points are added one at a time. In previous work, Miller et al. showed that if an ordered point set has pacing ?, then the number of vertices in an optimal mesh will be O(?^dn), where d is the input dimension. We give a new analysis of this integral showing that the output size is only θ(n+nlog?). The new analysis tightens bounds from several previous results and provides matching lower bounds. Moreover, it precisely characterizes inputs that yield outputs of size O(n).     

[2.2]Paracyclophane as a Target of the Organic Solid State: Emergent Properties via Supramolecular Construction

In this account, we review the synthesis of [2.2]paracyclophanes in the organic solid state. Reactions in crystalline solids provide a means to obtain molecules with high degrees of stereocontrol that can also be unattainable in solution. We show that [2.2]paracyclophanes form in the solid state stereospecifically and in quantitative yield via intermolecular [2+2] double photodimerization reactions. The double cycloaddition that affords a paracyclophane in the solid state does not readily occur in solution. Small molecules in the form of hydrogen-bond-donor templates can provide access to [2.2]paracyclophanes in a solid by design. A [2.2]paracyclophane obtained using a hydrogen-bond template is shown to exhibit attractive optical properties and has been employed as a building block of a metal-organic framework (MOF).     

[2.2]Paracyclophane-Based TCN-201 Analogs as GluN2A-Selective NMDA Receptor Antagonists

Recent studies have shown the involvement of GluN2A subunit-containing NMDA receptors in various neurological and pathological disorders. In the X-ray crystal structure, TCN-201 ( 1 ) and analogous pyrazine derivatives 2 and 3 adopt a U-shape (hairpin) conformation within the binding site formed by the ligand binding domains of the GluN1 and GluN2A subunits. In order to mimic the resulting π/π-interactions of two aromatic rings in the binding site, a [2.2]paracyclophane system was designed to lock these aromatic rings in a parallel orientation. Acylation of [2.2]paracyclophane ( 5 ) with oxalyl chloride and chloroacetyl chloride and subsequent transformations led to the oxalamide 7 , triazole 10 and benzamides 12 . The GluN2A inhibitory activities of the paracyclophane derivatives were tested with two-electrode voltage clamp electrophysiology using Xenopus laevis oocytes expressing selectively functional NMDA receptors with GluN2A subunit. The o-iodobenzamide 12 b with the highest similarity to TCN-201 showed the highest GuN2A inhibitory activity of this series of compounds. At a concentration of 10 μM, 12 b reached 36 % of the inhibitory activity of TCN-201 ( 1 ). This result indicates that the [2.2]paracyclophane system is well accepted by the TCN-201 binding site.     

核电厂大LOCA始发严重事故下氢气源项的敏感性分析

采用MELCOR程序,以600MW级核电厂为研究对象,在以大破口失水事故为始发事件的严重事故中,针对不同的破口尺寸及破口位置对堆芯内锆-水反应及堆腔内熔融堆芯与堆腔混凝土之间的相互作用(MCCI)中氢气源项的影响进行敏感性分析.结果表明,在大破口始发的严重事故中,不同的破口尺寸对氢气源项的影响不大;而在破口尺寸相同的情况下,破口发生在主管道热段时,产氢速率的峰值最大;破口发生在主管道冷段时,累积的总产氢量最大.     

基于END驱动IP层转发能力的提升方法

论文基于Tornado2.2开发环境提供的TCP/IP协议栈和END驱动模板,阐述了基于END驱动IP层转发能力提升的几个方法,并在MPC8260以太网平台中得到了验证。     

Efficient Modular Synthesis of Isomeric Mono‐ and Bispyridyl[2.2]paracyclophanes by Palladium‐Catalyzed Cross‐ Coupling Reactions

Pyridyl‐substituted [2.2]paracyclophanes build a multifunctional structural motif that is useful in material chemistry, catalysis and for luminescent structures. Nonetheless, there is still a lack of general methods for the synthesis of these structures tolerating easily accessible bromides as well as different isomeric pyridyl groups. Hence the coupling of functionalized [2.2]paracyclophanes with various substituted and functionalized pyridyl derivatives was achieved using Stille, Suzuki and Kumada coupling conditions. Hereby the Stille coupling of a [2.2]paracyclophane is presented as a versatile reaction for the formation of heteromeric [2.2]paracyclophane‐containing biaryl structures.

     

Gas-cooled reactor thermal hydraulic analyses with MELCOR

Pursuant to the Energy Policy Act of 2005, the High Temperature Gas-Cooled Reactor (HTGR) has been selected as the reference design for the Next Generation Nuclear Plant (NGNP). Stemming from a U.S. Nuclear Regulatory Commission (NRC) HTGR research initiative, a need was identified for validation of systems-level computer code modeling capabilities in anticipation of the eventual need to perform licensing analyses. Because the NRC has used MELCOR for light water reactors (LWR) in the past and because MELCOR was recently updated to include gas-cooled reactor (GCR) physics models, MELCOR is among the system codes of interest to the NRC. This paper describes MELCOR modeling of the General Atomics' Modular High Temperature Gas-Cooled Reactor (MHTGR). The MHGTR is a suitable design for demonstration of MELCOR GCR modeling competency for two reasons: 1) the MHTGR is a predecessor to the more advanced General Atomics’ Gas-Turbine Modular High Temperature Reactor (GTMHR), and 2) experimental data useful for benchmark calculations may soon become available. Using the most complete literature references available for the MHTGR design, researchers at Texas A&M University (TAMU) constructed a MELCOR input deck for the MHTGR to partially validate MELCOR GCR modeling capabilities. Normal and off-normal system operating conditions were modeled with appropriate boundary and initial conditions. MELCOR predictions of system response were obtained for steady-state, pressurized conduction cool-down (PCC), and depressurized conduction cool-down (DCC) scenarios. Code results were checked against nominal MHTGR design parameters, physical intuition, and anticipated GCR thermal hydraulic response. No inherent deficiencies in MELCOR modeling capability were observed, suggesting that the newly-implemented GCR models are adequate for systems-level analysis. If and when experimental benchmark data becomes available, further validation activities may proceed given the modeling efforts discussed herein.     

百万千瓦级压水堆严重事故后再注水的有效性评价

根据现有的设计资料,使用一体化严重事故分析程序MELCOR1.8.6建立了核电厂一、二回路系统,非能动堆芯冷却系统和安全壳系统的模型,并模拟冷段2英寸(5.08cm)小破口叠加重力注入失效的严重事故发生后,将冷却剂注入堆芯的情形,分析其对严重事故进程的缓解能力。本文选取3个严重事故的不同阶段,将冷却剂分别以小流量(10kg/s)、中流量(50kg/s)和大流量(200kg/s)的速率注入堆芯,通过比较氢气产生量、堆芯放射性产生量及堆芯温度等数据来评估在严重事故不同阶段再注水的可行性。结果表明:在堆芯损伤初期,可认为10kg/s以上的流量足以冷却百万千瓦级事故安全。而当严重事故发展到堆芯开始坍塌阶段,200kg/s的注水流量可认为是基本可行的,而小于此流量的注水应慎重考虑。