Design of new catalysts for ecological high-quality transportation fuels by combinatorial computational chemistry and tight-binding quantum chemical molecular dynamics approaches

Recently, we introduced a concept of combinatorial chemistry to computational chemistry and proposed a new method called “combinatorial computational chemistry”, which enables us to perform a theoretical high-throughput screening of catalysts. In the present paper, we reviewed our recent application of our combinatorial computational chemistry approach to the design of new catalysts for high-quality transportation fuels. By using our combinatorial computational chemistry techniques, we succeeded to predict new catalysts for methanol synthesis and Fischer–Tropsch synthesis. Moreover, we have succeeded in the development of chemical reaction dynamics simulator based on our original tight-binding quantum chemical molecular dynamics method. This program realizes more than 5000 times acceleration compared to the regular first-principles molecular dynamics method. Electronic- and atomic-level information on the catalytic reaction dynamics at reaction temperatures significantly contributes the catalyst design and development. Hence, we also summarized our recent applications of the above quantum chemical molecular dynamics method to the clarification of the methanol synthesis dynamics in this review.     

北京市雨水收集利用蓄水池容积计算与分析

基于北京市1984—2013年的日降雨资料,以北京林业大学林业楼及其周边绿地为研究区,设置3种用水情景(冲厕、绿地灌溉及冲厕+绿地灌溉),采用连续模拟法,分别绘制3种用水情景下雨水收集利用工程的雨水截留率、自来水替代率、供水保证率以及效益费用比变化曲线,并通过综合分析这些曲线的变化特征确定雨水蓄水池最佳设计容积(60~82 m3)。同时采用设计暴雨法计算1~5年不同重现期的蓄水池设计容积(77~248 m3)。结果表明,连续模拟法计算过程相对复杂,但可用于综合衡量雨水收集利用工程的雨洪管理效益,以及缓解水资源短缺效益、供水可靠性及经济可行性分析。     

Integrated Game Based Guidance with Nonlinear Autopilot Design for Maneuvering Target Interception

The integrated game theory based guidance law with nonlinear autopilot (GGNA) system is presented in this paper. The guidance law is designed based on linear differential game theory while considering the motion of the target in 3‐D space such that the distance between the missile and the target is minimized faster than before. The autopilot system based on quaternion representation is developed using sliding mode control method to generate the attitude command. The stability of the integrated guidance and nonlinear autopilot system is analyzed with Lyapunov stability theory. In addition, this research assumes wingless missiles in our context in order to reduce the nonlinear effect from the aerodynamics. Furthermore, in order to extend the operation range of missiles from endo‐atmosphere to exo‐atmosphere, the missiles are equipped with Thrust Vector Control (TVC) mechanisms and Divert Control System (DCS). Finally, extensive simulations incorporating aerodynamic models are demonstrated to verify the validity of the proposed integrated guidance/autopilot systems. Moreover, the simulation results reveal that the mission of intercepting a maneuvering target is successfully accomplished.     

Robust adaptive control for a class of cascaded nonlinear systems with applications to space interception

This paper proposes a robust H _∞ ‐based adaptive backstepping control scheme for the output stabilization of a special class of cascaded nonlinear systems. This kind of systems possess the feature that the first sub‐equation is a linear perturbed system, whereas the rest ones perform a general semi‐strict feedback form. Different from the conventional backstepping design approach, the special cascaded structure ensures to introduce the H _∞ technique to the backstepping procedure such that both the robust performance and the robust stability can be simultaneously guaranteed. Within the Lyapunov framework, the proposed control scheme is proved to guarantee (i) the uniformly ultimate boundedness of the system signals with a bound that can be made arbitrarily small by suitably choosing control parameters; (ii) asymptotic output stabilization as long as the uncertain nonlinearities and external disturbances vanish; and (iii) ‐performance of the closed‐loop system. A space interception scenario is utilized to demonstrate the effectiveness of the proposed control scheme. Copyright © 2013 John Wiley & Sons, Ltd.     

模糊C-均值聚类分析研究大亚湾水质空间分布规律

模糊C-均值聚类方法研究人类活动影响下大亚湾海域水体生态环境空间分布规律．揭示大亚湾水体生态环境空间分布分成两类区域：其一为受人类活动影响为主的大鹏澳、澳头以及大亚湾东北部区域;其二为受湾外南海海水交换影响较大的大亚湾南部、中部和东部海域。模糊C-均值聚类分析作为一种数据信息提取方法,为海洋环境生态研究提供新的方法。     

临川区土地生态环境安全评价研究

通过对临川区土地生态环境的研究,采用德尔菲法、等距划分法、加权指数法,确定该区域生态环境评价指标、权重、以及安全等级,得出临川区各乡镇的生态环境安全指数,为临川区土地生态环境安全建设提出建议。     

HP nonlinear guidance law design based on smooth sliding mode control

To eliminate the perturbation of interceptor detection induced by aerodynamic heating,the head pursuit (HP) guidance law for three-dimensional interception was presented. The guidance law positioned the interceptor ahead of the target on its flight trajectory,and the speed of interceptor was required to be lower than that of the target. On the basis of a novel head pursuit three-dimensional guidance model,a nonlinear guidance law was developed based on smooth sliding mode control theory. At the same time,a special observer was designed to estimate the target acceleration,and a numerical example on maneuvering ballistic target interception verified the effectiveness of the presented guidance law.     

红外成像导引头抗干扰性能评价指标体系

目前,各类红外成像制导导弹面临的主要问题是抗干扰能力的强弱,包括自然环境干扰和人工干扰两种;因此红外导引头的抗干扰性能成为各类红外制导导弹的关键性能,极大地影响到导弹的作战性能;为了能够合理的评价红外成像导引头的抗干扰性能,就必须制定合理的红外成像导引头抗干扰性能评价指标;为此,笔者根据红外成像导引头的抗干扰工作过程及其特点,以及传统的评价指标,并借鉴深度学习的评价指标,提出了由截获能力、识别能力、跟踪能力和命中精度能力这四方面组成的抗干扰性能评价指标体系;明确了四项指标下的二级指标内涵和计算方法,根据红外仿真与数据处理结果表明,这4种评价指标均可以有效地体现出导引头抗干扰性能的强弱,而且识别能力和命中精度这两个指标更加突出,故笔者所提出的红外成像导引头抗干扰性能指标体系及其计算方法,均可成为红外成像制导导弹抗干扰性能评估的判断依据.     

净水厂生物活性炭滤池生物泄漏的调控技术述评

针对净水厂深度处理的生物泄漏和调控问题日渐引起人们重视的情况。分析了净水厂以生物活性炭滤池为主的生物泄漏缘由,从炭滤池的工艺调整与完善、运行参数优化以及组合拦截、强化消毒杀灭等方面评述了国内外研究和应用进展。认为当前控制生物活性炭滤池生物泄漏防控所面临的挑战主要在于缺乏控制无脊椎动物数量的标准、规范和可操作的调控技术指南,未来研究的重点是探明无脊椎动物对供水安全的风险强度、泄漏生物携菌与抗消毒能力,提出高效可行的耐氯无脊椎动物泄漏控制技术,降低无脊椎动物的虫卵或可孵化体进入供水管网的再生长及带来的微生物二次繁殖问题。     

基于纹理特征与随机森林的生态声音识别

针对真实环境中普遍存在的非平稳噪声,提出一种基于纹理特征与随机森林的生态声音识别方法。该方法首先使用一种基于噪声估计的音频增强算法,即短时谱估计对输入端声音信号进行前端处理,得到增强信号功率谱;然后根据得到的增强信号功率谱图的纹理信息,采用和差统计法对其进行纹理特征提取;最后,利用基于决策树的组合分类器,即随机森林进行识别和分类。设计了两组对比实验,结果表明该方法不仅有良好的识别性能,而且具有噪声鲁棒性。