In situ X‐ray data collection and structure phasing of protein crystals at Structural Biology Center 19‐ID

A prototype of a 96‐well plate scanner for in situ data collection has been developed at the Structural Biology Center (SBC) beamline 19‐ID, located at the Advanced Photon Source, USA. The applicability of this instrument for protein crystal diffraction screening and data collection at ambient temperature has been demonstrated. Several different protein crystals, including selenium‐labeled, were used for data collection and successful SAD phasing. Without the common procedure of crystal handling and subsequent cryo‐cooling for data collection at T = 100 K, crystals in a crystallization buffer show remarkably low mosaicity (<0.1°) until deterioration by radiation damage occurs. Data presented here show that cryo‐cooling can cause some unexpected structural changes. Based on the results of this study, the integration of the plate scanner into the 19‐ID end‐station with automated controls is being prepared. With improvement of hardware and software, in situ data collection will become available for the SBC user program including remote access.     

Structural transition behavior of ZnS nanotetrapods under high pressure

ZnS nanotetrapods synthesized via a solvothermal route have a octahedral core with a zincblende (ZB) structure and four hexprism-shaped arms consisting of alternately stacking ZB and wurtzite (WZ) phases, where the WZ phase has a higher volume percentage. In situ angular-dispersive X-ray diffraction (ADXRD) measurements were carried out to study the structural behavior of ZnS nanotetrapods under high pressure up to 41.3?GPa. The initial WZ structure exhibits a very high mechanical stability to ～11.3?GPa. Both the WZ and ZB structures transform to the rocksalt (RS) structure at ～15.4?GPa. The bulk moduli of the WZ (148.2?±?8.9?GPa) and RS (165.6?±?9.9?GPa) phases are both larger than the previously reported values. These phenomena are discussed based on the alternating epitaxial growth of the WZ and ZB phases in the arms of nanotetrapods. Our study suggests that the internal structure of nanomaterials could also greatly affect their stability and transition behavior.     

基于kinect和unity的虚拟手抓取碰撞检测算法

针对目前碰撞检测算法效率低精度差的问题,提出了一种改进的层次方向包围盒（OBB）算法。首先通过位置关系判断虚拟手是否在物体包围球的邻近区域,然后用OBB和八叉树算法进行详细的碰撞检测,最后利用离散点到虚拟手简化面的矢量计算法实现精确的碰撞检测。实验结果表明,随着三维物体基元数目的增多,这种由粗略到精确递进的检测方式极大的提高了碰撞检测的效率和精度,具有可行性。该算法适用于任何复杂场景中刚体结构模型的碰撞检测,在运行时候不存在滞后情况,显示流畅,而且碰撞检测精度高,完全能够满足虚拟环境实时性和精确性的要求。     

飞行试验大数据技术及展望

现代航空武器装备综合化和信息化程度越来越高,飞行试验测试数据的种类增多,测试数据量剧增,飞行试验进入了大数据时代。试飞大数据的来临,对试验数据的获取、记录、传输和处理等传统技术及模式产生了强大的冲击,也提出了严峻的挑战。本文在简要介绍大数据概念及国外研究应用现状的基础上,通过总结分析飞行试验数据的新特征、新需求,提出了“试飞大数据”的概念,得出飞行试验数据是典型大数据的结论;按照试飞测试流程和大数据技术范畴,重点分析了试飞大数据技术中的数据获取、交换、记录、传输、监控、处理、存储等关键技术,最后,对试飞大数据技术的应用前景进行了展望。     

双原子正方晶格光子晶体边界模式的光传输特性

利用平面波展开法,发现双原子正方晶格光子晶体中ΓM方向边界面存在着快慢两类边界模式,并且通过计算色散关系和电场分布研究了边界参量对这两类边界模式传输特性的影响.依据两种模式的色散关系,计算了群指数和群速度色散参量,结果表明边界参量的变化对第一类边界模式传输特性的影响较小,该模式的平均群指数始终维持在5.0左右;第二类边界模式与第一类模式明显不同,边界参量的变化能够有效地影响到这种模式的传输特性,该模式的最大平均群指数可达178左右.利用时域有限差分法记录了不同时刻电场强度在边界附近的分布及监测点处的电场幅度变化情况,结果表明,两类模式都能够被限制在边界附近并向前传播,时域有限差分法得到的群速度与平面波展开法的结果完全吻合.     

Asymptotically exact a posteriori local discontinuous Galerkin error estimates for the one‐dimensional second‐order wave equation

In this article, we analyze a residual‐based a posteriori error estimates of the spatial errors for the semidiscrete local discontinuous Galerkin (LDG) method applied to the one‐dimensional second‐order wave equation. These error estimates are computationally simple and are obtained by solving a local steady problem with no boundary condition on each element. We apply the optimal L² error estimates and the superconvergence results of Part I of this work [Baccouch, Numer Methods Partial Differential Equations 30 (2014), 862–901] to prove that, for smooth solutions, these a posteriori LDG error estimates for the solution and its spatial derivative, at a fixed time, converge to the true spatial errors in the L²‐norm under mesh refinement. The order of convergence is proved to be , when p‐degree piecewise polynomials with are used. As a consequence, we prove that the LDG method combined with the a posteriori error estimation procedure yields both accurate error estimates and superconvergent solutions. Our computational results show higher convergence rate. We further prove that the global effectivity indices, for both the solution and its derivative, in the L²‐norm converge to unity at rate while numerically they exhibit and rates, respectively. Numerical experiments are shown to validate the theoretical results. © 2014 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 31: 1461–1491, 2015     

Accelerated Landweber iteration with convex penalty for linear inverse problems in Banach spaces

In recent years, Landweber iteration has been extended to solve linear inverse problems in Banach spaces by incorporating non-smooth convex penalty functionals to capture features of solutions. This method is known to be slowly convergent. However, because it is simple to implement, it still receives a lot of attention. By making use of the subspace optimization technique, we propose an accelerated version of Landweber iteration with non-smooth convex penalty which significantly speeds up the method. Numerical simulations are given to test the efficiency.     

Efficiency assessment of primary care providers: A conditional nonparametric approach

This paper uses a fully nonparametric approach to estimate efficiency measures for primary care units incorporating the effect of (exogenous) environmental factors. This methodology allows us to account for different types of variables (continuous and discrete) describing the main characteristics of patients served by those providers. In addition, we use an extension of this nonparametric approach to deal with the presence of undesirable outputs in data, represented by the rates of hospitalization for ambulatory care sensitive condition (ACSC). The empirical results show that all the exogenous variables considered have a significant and negative effect on efficiency estimates.     

An analysis of managerialism and performance in English and Welsh male prisons

This paper fills a noticeable gap in the current economic and penology literature by proposing new performance-enhancing policies based on an efficiency analysis of a sample of male prisons in England and Wales over the period 2009/10. In addition, we advance the empirical literature by integrating the managerialism of four strategic functions of prisons, employment and accommodation, capacity utilization, quality of life in prison and the rehabilitation and re-offending of prisoners. We find that by estimating multiple models focussing on these different areas some prisons are more efficient than other establishments. In terms of policy, it is therefore necessary to consider not just an overall performance metric for individual prisons, as currently undertaken annually by the UK Ministry of Justice, but to look into the administration and managerialism of their main functions in both a business and public policy perspective. Indeed, it is further necessary to view prisons together and not as single entities, so as to obtain a best practice frontier for the different operations that management undertakes in English and Welsh prisons.