手性指数的研究及其应用

该工作对手性化合物的构效关系进行了研究,其内容包括:(1)对二维拓扑指数Ami进行了扩展,即在指数的衍生中加入手性碳原子的因素,使之成功地应用于14个手性化合物活性的预测;(2)描述了构象独立的手性指数(CICC法)和构象依赖的手性指数(CDCC法),采用CDCC和CICC预测了80个二级醇的1H NMR化学位移差的符号,并由此可以确定该类化合物的绝对构型;(3)描述了原子构象依赖的手性指数(aCDCC),并将这种方法用于手性仲醇的α-碳原子的13C NMR在不同手性溶剂中的化学位移差的预测,获得了满意的结果.     

CT导航微创外科混联机器人拓扑结构分析

分析了CT导航微创外科手术环境对机器人的特殊要求,提出了一种新型串并混联机器人构型 .详细讨论了机器人的串、并联拓扑结构的设计依据,比较了多种串联微创外科机械臂的结 构类型,明确了串联部分的构型.针对传统并联机构灵活性较小的不足,提出并分析了并联 机构的结构框架,确定了并联部分的结构.基于螺旋理论重点求解了并联机构的位移输出特 征方程及其自由度,同时给出了串联部分的位移输出特征矩阵.通过灵活性仿真,验证了该 机器人可用于CT受限空间的微创外科定位手术.本文对于新型医疗机器人的构型设计提供了 一种理论参考.     

软件构件平台持久框架的设计与实现

在分布式企业应用中不可避免地要大量访问数据库,或者保存对象、构件的状态信息。软件构件平台上的持久化技术为此提供了一个透明、简洁、高效的途径。本文介绍了现有各种构件平台、各种开发环境下的持久化技术,分析比较了各种方式的优劣,并提出了StarCCM软件构件平台上持久化框架的设计与实现。     

Orbital pairing effects in fullerenes

We propose a theory of superconductivity for a crystal having multiple band structure. The theory is valid for the parameter(k _F)/1 when the splitting between bands(k _F ) is small in comparison with the phonon frequency. The theory may be applicable to the doped fullerenes where it is widely supposed that pairing occurs through high-energy intramolecular phonons. As in semiconductors, the bunch of bands is treated by ascribing the highest spin to electrons. We derive the analytic expression for the critical temperature, which strongly depends on the value of the total spin of the Cooper pair, which may be equal toY=0,1,.... In all cases the order parameter is a vector with components proportional to spherical harmonics and at the same time the superconducting gap has no zeros. The data may be fitted to doped fullerenes, if the superconductivity arises fromd-pairing.     

基于拓扑绝缘体异质结的宽带太赫兹探测器

二维材料中的新量子态对凝聚态物理和现代光电器件的发展具有重要意义。然而具有宽带、室温和快速响应能力的太赫兹光电探测技术,由于缺乏暗电流和光吸收之间的最佳平衡,仍然面临着巨大的挑战。在这项研究中,作者合成了新型拓扑绝缘体材料GeBi₄Te₇,并搭建了其与Bi₂Te₃的范德华异质结,以实现高灵敏度的太赫兹光电探测器。在平面金属-材料-金属结构中实现了在室温下将低光子能量太赫兹波段直接转化为光电流。结果表明,基于Bi₂Te₃-GeBi₄Te₇的太赫兹光电探测器能够实现0.02～0.54 THz的宽谱探测,且具有很高的光响应率(在0.112、0.27、0.5 THz下分别为592 V·W^-1、203 V·W^-1、40 V·W^-1),响应时间小于6μs。值得注意的是,它被用于高频太赫兹的成像应用演示。这些结果为Bi₂Te₃     

微电网的电流均衡/电压恢复自适应动态规划策略研究

含多类型分布式电源的微电网已经成为了未来电力系统的重要发展方向,其中风能和光能在降低化石能源消耗和二氧化碳排放等方面有着极大优势,考虑二者之间强互补性的协同调度已被广泛研究.但风/光协同调度的微电网多关注分钟级的调度或优化问题而非风/光波动下秒级的实时电流按容量比例精准分担,简称电流均衡,而精准电流均衡有助于可再生能源的高比例消纳.因此,本文提出了基于自适应动态规划的微电网电流均衡和电压恢复控制策略.首先,构建包含风电整流型电能变换器和光电升压型电能变换器的广义风光拓扑同胚升压变换器模型,其提供了后续控制器设计的模型基础.其次,本文将电流均衡和电压恢复问题转化为最优控制问题,基于此,每个能源主体的目标函数转化为获取最优控制变量和最小电压/电流控制偏差,进而转化为求解哈密顿?雅克比?贝尔曼(Hamilton-Jacobi-Bellman,HJB)方程问题.基于此,提出了基于贝尔曼准则的分布式自适应动态规划控制策略以求取HJB方程的数值解,最终实现电流均衡和电压恢复.最后仿真结果验证了所提分布式自适应动态规划控制策略的有效性.     

Continuum structural topological optimizations with stress constraints based on an active constraint technique

Stress‐related problems have not been given the same attention as the minimum compliance topological optimization problem in the literature. Continuum structural topological optimization with stress constraints is of wide engineering application prospect, in which there still are many problems to solve, such as the stress concentration, an equivalent approximate optimization model and etc. A new and effective topological optimization method of continuum structures with the stress constraints and the objective function being the structural volume has been presented in this paper. To solve the stress concentration issue, an approximate stress gradient evaluation for any element is introduced, and a total aggregation normalized stress gradient constraint is constructed for the optimized structure under the r?th load case. To obtain stable convergent series solutions and enhance the control on the stress level, two p‐norm global stress constraint functions with different indexes are adopted, and some weighting p‐norm global stress constraint functions are introduced for any load case. And an equivalent topological optimization model with reduced stress constraints is constructed,being incorporated with the rational approximation for material properties, an active constraint technique, a trust region scheme, and an effective local stress approach like the qp approach to resolve the stress singularity phenomenon. Hence, a set of stress quadratic explicit approximations are constructed, based on stress sensitivities and the method of moving asymptotes. A set of algorithm for the one level optimization problem with artificial variables and many possible non‐active design variables is proposed by adopting an inequality constrained nonlinear programming method with simple trust regions, based on the primal‐dual theory, in which the non‐smooth expressions of the design variable solutions are reformulated as smoothing functions of the Lagrange multipliers by using a novel smoothing function. Finally, a two‐level optimization design scheme with active constraint technique, i.e. varied constraint limits, is proposed to deal with the aggregation constraints that always are of loose constraint (non active constraint) features in the conventional structural optimization method. A novel structural topological optimization method with stress constraints and its algorithm are formed, and examples are provided to demonstrate that the proposed method is feasible and very effective. © 2016 The Authors. International Journal for Numerical Methods in Engineering published by John Wiley & Sons Ltd.     

Rank 2 proximal Cantor systems are residually scrambled

Downarowicz and Maass [7 T. Downarowicz and A. Maass, Finite-rank Bratteli–Vershik diagrams are expansive, Ergod. Th. Dynam. Sys. 28 (2008), pp. 739–747.[Web of Science ®] , [Google Scholar]] proposed topological ranks for all homeomorphic Cantor minimal dynamical systems using properly ordered Bratteli diagrams. In this study, we adopt this definition to the case of the essentially minimal zero-dimensional systems. We consider the cases in which topological ranks are 2 and unique minimal sets are fixed points. Akin and Kolyada [2 E. Akin and S. Kolyada, Li–Yorke sensitivity, Nonlinearity 16(4) (2003), pp. 1421–1433.[Crossref], [Web of Science ®] , [Google Scholar]], had shown that if the unique minimal set of an essentially minimal system is a fixed point, then the system must be proximal. The finite topological rank implies expansiveness; furthermore, in the case of proximal Cantor systems with topological rank 2, the expansiveness is always from the lowest degree. Rank 2 proximal Cantor systems are residually scrambled. We present a necessary and sufficient condition for the unique ergodicity of these systems. In addition, we show that the number of ergodic measures of the systems that are topologically mixing can be 1 and 2. Moreover, we present examples that are topologically weakly mixing, not topologically mixing, and uniquely ergodic. Finally, we show that the number of ergodic measures of the systems that are not weakly mixing can be 1 and 2.     

Ultra‐Broadband Flexible Photodetector Based on Topological Crystalline Insulator SnTe with High Responsivity

Topological crystalline insulators (TCIs) are predicted to be a promising candidate material for ultra‐broadband photodetectors ranging from ultraviolet (UV) to terahertz (THz) due to its gapless surface state and narrow bulk bandgap. However, the low responsivity of TCIs‐based photodetectors limits their further applications. In this regard, a high‐performance photodetector based on SnTe, a recently developed TCI, working in a broadband wavelength range from deep UV to mid‐IR with high responsivity is reported. By taking advantage of the strong light absorption and small bandgap of SnTe, photodetectors based on the as‐grown SnTe crystalline nanoflakes as well as specific short channel length achieve a high responsivity (71.11 A W^?1 at 254 nm, 49.03 A W^?1 at 635 nm, 10.91 A W^?1 at 1550 nm, and 4.17 A W^?1 at 4650 nm) and an ultra‐broad spectral response (254–4650 nm) simultaneously. Moreover, for the first time, a durable flexible SnTe photodetector fabricated directly on a polyethylene terephthalate film is demonstrated. These results prove the great potential of TCIs as a promising material for integrated and flexible optoelectronic devices.