Lennard-Jones流体固液相变的分子动力学模拟

采用等温等容分子动力学模拟方法，研究了ＬｅｎｎａｒｄＪｏｎｅｓ流体从固相到液相体系结构和性质的变化。均方位移，径向分布函数，平动序参数等结构和性质的模拟表明体系经历了固液相变。在对比密度为０．８４，０．８６，０．８８和０．９时，体系熔点分别为０．６６～０．６７，０．７１～０．７２，０．８２～０．８３和０．９０～０．９１。     

基于POMDP的跨层机会频谱接入优化设计

在功率受限的机会频谱接入(OSA)研究中,大多使用完全可观测马尔可夫决策过程(MDP)对环境建模,以提高物理层或介质访问控制(MAC)层指标,但由于感知设备的限制,无法保证用户对环境完全感知。为解决该问题,提出一种基于部分可观测马尔可夫决策过程(POMDP)与Sarsa(λ)的跨层OSA优化设计方案。结合MAC层和物理层,采用POMDP对功率受限且有感知误差的次用户频谱感知和接入过程进行建模,并将其转换为信念状态MDP(BMDP),使用Sarsa(λ)算法对其进行求解。仿真结果表明,在功率受限条件下,该Sarsa(λ)-BMDP方案的有效传输容量、吞吐量和频谱利用率分别比完全可观测Q-MDP方案低9%、7%和3%左右,其误比特率比基于点的值迭代PBVI-POMDP方案低20%左右,比Q-MDP方案高16%左右。     

Ⅰ型氯吡格雷硫酸氢盐的合成及晶型转换

优化了Ⅰ型氯吡格雷硫酸氢盐的合成方法,发现利用3-戊酮等溶剂在-10~-16℃反应10~16 h,能以80%左右的产率得到Ⅰ型氯吡格雷硫酸氢盐,并用熔点、红外与X衍射等方法对其进行了表征;同时还研究了Ⅰ、Ⅱ型氯吡格雷硫酸氢盐之间的相互转化。     

Sulfur transformation during rapid hydropyrolysis of coal under high pressure by using a continuous free fall pyrolyzer☆

The behavior of sulfur transformation during rapid hydropyrolysis of coal was investigated using a pressurized, continuous free fall pyrolyzer under the conditions of temperature ranging from 923 to 1123 K and hydrogen pressure up to 5 MPa. The yields of sulfur converted to gas, tar and char were determined, together with the analyses of sulfur form distributions in coals and chars. The results showed that the decomposition of inorganic sulfur species was affected only by the temperature, while the increases in temperature and hydrogen pressure obviously enhanced the removal of organic sulfur from coal. The extent of organic sulfur removal was proportional to the coal conversion, depending on coal type. A significant retention of gaseous sulfur products by the organic matrix of the char was observed during hydropyrolysis of a Chinese coal above 1023 K, even under the pressurized hydrogen atmosphere. The kinetic analysis indicates that the rate of organic sulfur removal from coal was 0.2th-order with respect to the hydrogen pressure, and the activation energy for total sulfur removal and organic sulfur removal is 17-26 and 13-55 kJ/mol, respectively. The low activation energies suggest that the transformation and removal of sulfur from coal might be controlled by the diffusion and/or thermodynamic equilibrium during hydropyrolysis under the pressurized conditions.     

Graph regularized multiset canonical correlations with applications to joint feature extraction

Multiset canonical correlation analysis (MCCA) is a powerful technique for analyzing linear correlations among multiple representation data. However, it usually fails to discover the intrinsic geometrical and discriminating structure of multiple data spaces in real-world applications. In this paper, we thus propose a novel algorithm, called graph regularized multiset canonical correlations (GrMCCs), which explicitly considers both discriminative and intrinsic geometrical structure in multiple representation data. GrMCC not only maximizes between-set cumulative correlations, but also minimizes local intraclass scatter and simultaneously maximizes local interclass separability by using the nearest neighbor graphs on within-set data. Thus, it can leverage the power of both MCCA and discriminative graph Laplacian regularization. Extensive experimental results on the AR, CMU PIE, Yale-B, AT&T, and ETH-80 datasets show that GrMCC has more discriminating power and can provide encouraging recognition results in contrast with the state-of-the-art algorithms.     

Multi-resolution feature fusion for face recognition

For face recognition, image features are first extracted and then matched to those features in a gallery set. The amount of information and the effectiveness of the features used will determine the recognition performance. In this paper, we propose a novel face recognition approach using information about face images at higher and lower resolutions so as to enhance the information content of the features that are extracted and combined at different resolutions. As the features from different resolutions should closely correlate with each other, we employ the cascaded generalized canonical correlation analysis (GCCA) to fuse the information to form a single feature vector for face recognition. To improve the performance and efficiency, we also employ “Gabor-feature hallucination”, which predicts the high-resolution (HR) Gabor features from the Gabor features of a face image directly by local linear regression. We also extend the algorithm to low-resolution (LR) face recognition, in which the medium-resolution (MR) and HR Gabor features of a LR input image are estimated directly. The LR Gabor features and the predicted MR and HR Gabor features are then fused using GCCA for LR face recognition. Our algorithm can avoid having to perform the interpolation/super-resolution of face images and having to extract HR Gabor features. Experimental results show that the proposed methods have a superior recognition rate and are more efficient than traditional methods.     

不同缝面形态下诱导缝开裂效果对比研究

一些采用径向扭缝的碾压混凝土拱坝工程中,出现了诱导缝周边坝体混凝土开裂而诱导缝本身未张开的现象,因此需定量分析不同空间形态缝面对诱导缝开裂的影响效果。根据碾压混凝土拱坝应力变化特点以及诱导缝开裂变化规律,本文拟定含不同缝面空间形态的有限大平板和圆筒拱坝算例,利用虚拟裂纹闭合法和Richard脆性断裂准则获取空间缝面等效应力强度因子,研究缝面应力强度因子随缝面夹角的变化规律;通过对归一化后的应力强度因子求倒数,获取不同缝面夹角条件下诱导缝等效强度的修正系数即缝面空间形态影响因子,以反映不同缝面空间形态下诱导缝开裂效果。研究表明,随着缝面夹角的不断增大,缝面越不容易张开,这就意味着缝面的等效强度在逐渐增大。因此,在实际碾压混凝土拱坝设计中,诱导缝应尽量采用竖向垂直缝布置;若要布置成径向扭缝,则缝面夹角最大不宜超过10°。     

热分解法制备纳米WO_3的结构特征及其分散行为研究

以钨酸铵为原料,在350～600℃不同温度下,用热分解法制备了纳米WO3。用透射电子显微镜、X射线衍射与电子衍射并结合热分析法,研究了热分解温度对纳米WO3的粒径大小、形状、晶型的影响,发现钨酸铵在225～375℃吸热分解,在400℃时完全分解为简单六方结构WO3和简单单斜结构WO3两相混合物,简单六方结构WO3在404℃左右向简单单斜结构WO3转变,500℃与600℃热分解产物都是简单单斜结构WO3。WO3粒径随温度升高而增大,分解温度从400℃升至600℃时,WO3粒径从20nm增大到100nm左右。用表面活性剂对纳米WO3进行表面修饰,发现两性型十二烷基二甲基甜菜碱可提高纳米WO3在水溶液与甲苯中的分散稳定性,沉降速度降低50%。     

电子数据备份方法探讨

在广泛开展的信息化工作中,由于各种原因引起的电子数据丢失时常发生,当丢失的数据无法恢复时会造成不同程度的损失,因此需要对电子数据进行安全备份。针对电子数据备份的重要性及经常发生的问题,论述了数据备份的方式和等级,提出了加强数据备份的管理,健全管理制度以及完善数据备份的过程与环节。应用相关技术,在确保安全的前提下,选择操作性强、成本较低的备份方式和等级,充分发挥数据备份的作用。     

基于VFP数据录入表单设计

分析了数据录入的需求,以一个数据录入表单的设计开发为例,介绍了基于VFP实现数据录入表单设计的方法和技巧。