Variational density matrix optimization using semidefinite programming

We discuss how semidefinite programming can be used to determine the second-order density matrix directly through a variational optimization. We show how the problem of characterizing a physical or N-representable density matrix leads to matrix-positivity constraints on the density matrix. We then formulate this in a standard semidefinite programming form, after which two interior point methods are discussed to solve the SDP. As an example we show the results of an application of the method on the isoelectronic series of Beryllium.     

Optimal depth estimation by combining focus measures using genetic programming

Three-dimensional (3D) shape reconstruction is a fundamental problem in machine vision applications. Shape From Focus (SFF) is one of the passive optical methods for 3D shape recovery that uses degree of focus as a cue to estimate 3D shape. In this approach, usually a single focus measure operator is applied to measure the focus quality of each pixel in the image sequence. However, the applicability of a single focus measure is limited to estimate accurately the depth map for diverse type of real objects. To address this problem, we develop Optimal Composite Depth (OCD) function through genetic programming (GP) for accurate depth estimation. The OCD function is constructed by optimally combining the primary information extracted using one/or more focus measures. The genetically developed composite function is then used to compute the optimal depth map of objects. The performance of the developed nonlinear function is investigated using both the synthetic and the real world image sequences. Experimental results demonstrate that the proposed estimator is more useful in computing accurate depth maps as compared to the existing SFF methods. Moreover, it is found that the heterogeneous function is more effective than homogeneous function.     

Efficient shape optimization for certain and uncertain aerodynamic design

In this paper, we present novel developments in aerodynamic shape optimization based on shape calculus as well as the proper treatment of aleatoric uncertainties in the field of aerodynamic design.     

云南不同产地漾濞泡核桃品质综合评价分析

为了探究云南不同产地漾濞泡核桃品质差异,选择8个不同主产区漾濞泡核桃进行核桃青皮、仁、分心木中主要成分分析与评价。采用索氏抽提仪、凯氏定氮仪、气质联用仪及氨基酸分析仪等对核桃样进行分析。结果表明:云南8个不同主产地漾濞泡核桃综合品质较好,适宜加工高端油脂及蛋白产品,其副产物可进行功能因子的提取开发利用。揭示了云南不同主产区漾濞泡核桃主要营养及功能成分含量和种类差异,为云南核桃良种选育、精深加工等提供理论依据。     

牛初乳与牛乳中乳清蛋白质组成及功能的对比分析

乳清富含多种功能特性和生物活性的蛋白质,本研究利用SDS-PAGE电泳将牛初乳与牛乳中乳清蛋白质的组成部分进行分离鉴定,发现牛初乳与牛乳中乳清蛋白质的组成存在较大的差异,且在牛初乳乳清中鉴定出290种蛋白,牛乳乳清中鉴定出325种蛋白。由GO功能注释分析发现,在生物过程中,牛初乳乳清蛋白在细胞定位建立和细胞定位中的作用略高于牛乳乳清蛋白。在分子功能上酶抑制活性作用是牛初乳乳清蛋白和牛乳中乳清蛋白的主要分子功能。在细胞组成上牛初乳乳清蛋白参与较多的是细胞外部分和细胞外空隙,与牛乳乳清蛋白相比参与的细胞组成大体相同。通过KEGG代谢通路分析可知,牛初乳和牛乳乳清蛋白均参与过补体及凝血级联反应通路。对牛初乳乳清蛋白组成进行研究,不仅能够增加牛初乳的利用率,并且为日后以乳清蛋白作为原料生产乳制品提供理论依据。     

Structural and electronic properties of Ti-nanowires/C-single wall nanotubes composites by density functional theory calculations

Structural and electronic properties of composite Ti-nanowires/single wall carbon nanotubes ((6,0) and (10,0)) (SWNT) were evaluated by means of density functional theory computations. We considered the cases of monoatomic (MNW), BCC (β-NW) and HCP (α-NW) nanowires that were either inserted or deposited in/on the SWNTs. In all cases the NWs turn the cylindrical SWNTs’ shape to ellipsoid, an effect that is closely related to charge transfer from Ti toward C neighboring atoms. We found that the wires inside the SWNT appear to be more stable compared to the outside cases, while all NWs contribute with new energy states at the Fermi level, transforming the semiconducting (10,0) to a conducting composite. In addition, we found spin up–down differences in the β-NW_on case and electronic charge redistributions e.g. in α-NW_in (charge accumulation internally along the tube's axis) or in α-NW_on (superficial charge accumulation in the vicinity of the NW), accompanied by manifestation of electric dipole moment that reaches the value of 10 Debye in a-NW_on. These results may be of use in the design of new C-based nanocomposite systems suitable for applications in microelectronics, sensors and catalysis.     

基于组件的雷达信号及数据处理仿真方法

不同体制雷达系统的信号及数据处理在共性功能模拟和特性功能刻画之间存在矛盾问题。基于组件化设计思想,将雷达信号处理及数据处理仿真划分为天线模拟、目标回波功率计算、脉冲压缩、参数测量、航迹起始、跟踪滤波、调度策略等28个组件。通过参数选择实现不同体制雷达特性功能模拟组件的设置,并对共性功能组件复用,实现了相控阵、机扫、无源探测等多种雷达体制的功能级仿真。对各组件进行功能测试,验证了组件化设计方法的可行性。     

涡旋振荡提取-高效液相色谱-紫外检测法测定铁叶酸片中的叶酸含量

目的 建立涡旋振荡提取-高效液相色谱-紫外检测法(high performance liquid chromatography-ultraviolet,HPLC-UV)快速测定保健食品铁叶酸片中叶酸含量的分析方法.方法 样品研磨成粉后,取样0.1 g,加入0.3％的氨溶液25 mL,立即在旋涡混合器中涡旋振荡提取3 m...     

基于模板方法与抽象工厂的复合模式

面向对象的程序设计越来越追求程序的可复用性和灵活性,对于经验较少的程序设计者直接得到具有良好复用性和灵活性的程序是具有一定难度的,软件设计模式就是提取面向对象程序设计者的经验,并对其进行总结.模板方法模式中父类定义一个算法的框架,用模板方法规定算法的执行步骤,将可变的步骤延迟到子类实现,每一种不同的实现都需要定义一个新的子类,系统会越来越庞大,系统的可维护性以及可读性越来越差.因此将抽象工厂模式嵌入到模板方法模式形成一个复合模式,复合模式的设计核心是为每一个延迟到子类的可变的步骤提供一个创建对象的接口,该接口对一个完整的产品族进行了定义.复合模式既保证了算法结构的稳定性,又分离了具体的实现类,增强了程序的健壮性、可复用性以及灵活性.