THM PyGC–MS of wood fragment and vegetable fibre forensic samples

Wood fragments and vegetable fibres were investigated using thermally assisted hydrolysis and methylation with pyrolysis gas chromatography–mass spectrometry (THM PyGC–MS). Multiple ion chromatography was used to decrease the interference from cellulosic peaks, and to obtain greater resolution between the lignin peaks. Forty-four wood samples were analysed using THM PyGC–MS. The wood fragments were able to be differentiated into angiosperms (hardwoods) and gymnosperms (softwoods) using principle component analysis (PCA), hierarchical cluster analysis (HCA), and the ratio of syringyl to guaiacyl lignin fragments (S/G ratio). PCA and HCA also differentiated several Monterey pine samples from the rest of the gymnosperms, primarily by the presence of β-pinene, an extractive compound. Other gymnosperm species and the individual angiosperm species were unable to be differentiated. A pilot study investigating the use of THM PyGC–MS for the analysis of vegetable fibres in forensic science found that the fibre types tended to group into two clusters, with one containing cotton, hemp and linen; and the other consisting of hessian, sisal, jute and coir. The seagrass sample was able to be differentiated from both groups. These groups were well separated using PCA, HCA and by the ratio of cinnamyl phenolic derivatives to guaiacyl lignin derivatives (C/G ratio). Some grouping of each fibre type was evident within each cluster, however the separation between the clusters was insufficient to differentiate them using these statistical techniques. THM PyGC–MS of vegetable fibres showed some potential for future use in forensic science.     

扩张原理的粗集表示

粗集、模糊集均是处理不确定信息的数据分析工具,是数据挖掘的重要方法.由Zadeh首先提出的模糊扩张原理是模糊集理论的最基本的原理之一,粗集是通过上、下近似算子来发挥作用的.本文讨论扩张原理与粗集上近似之间的关系,证明了扩张原理可以表示成粗集上近似的形式,因此,扩张原理成了粗集与模糊集之间的桥梁.此外,借助粗集上、下近似算子的公理系统解决了扩张原理的反问题.     

庚酸甲酯高温燃烧化学动力学机理的系统简化和分析

采用详细化学反应动力学机理的系统简化方法, 对庚酸甲酯高温燃烧化学动力学机理进行了系统简化. 首先采用两步直接关系图法(Directed relation graph method, DRG)和主成分分析(Principle component analysis, PCA)方法对由1087个物种、4592步可逆反应组成的庚酸甲酯燃烧的详细机理进行框架简化, 得到了包含108个物种, 547步基元反应的框架机理. 在此框架机理基础上, 进一步采用计算奇异值摄动法(Computational singular perturbation, CSP)对框架机理进行时间尺度分析, 再选取30个准稳态物种, 采用准稳态近似(Quasi steady state approximation, QSSA)方法构建了包含78个物种、74步总包反应的全局简化机理. 模拟结果表明, 在较宽的参数范围内, 框架机理和全局简化机理均能重现庚酸甲酯高温燃烧时的点火延迟、物种浓度分布和熄火等燃烧特性. 此外, 基于框架机理阐明了庚酸甲酯高温燃烧的反应路径和对点火有重要影响的基元反应. 与详细机理相比, 框架机理保留了良好的精确性和全局性, 可以很好地反映庚酸甲酯的燃烧特性, 有助于对生物柴油的燃烧过程的理解.     

基于视感知特征的多光谱高保真降维方法研究

为解决多光谱数据在降维压缩过程中的颜色精度保持问题,提出一种基于人眼视觉感知特征的多光谱数据高保真降维压缩方法(VPCM)。研究首先依据人眼视觉响应的非线性解析特征,成功构建了同时综合人眼光谱特征与色度特征的变换函数,并通过进一步构造的优化函数对其进行修正,以针对不同的样本集找到最佳变换方向,而后利用修正后的视觉特征变换函数对光谱样本集进行空间变换(Γ(S)=C),然后利用主成分分析方法对经视觉特征函数变换后样本集光谱数据进行降维压缩处理,并通过逆变换重构出样本集光谱数据(Γ-1(C)=^S),进行降维评价。实验选取四类具有典型代表性的数据集作为测试样本,分别以D50/2°条件下的CIELab色差和75组典型照明光源(钨丝灯、荧光灯和LED灯)下的平均同色异谱指数(MMI)作为色度主要评价指标,同时对比了Lab-PQR和2-XYZ两种较为先进的光谱降维算法。实验结果为VPCM方法的MMI值最小,其次是LabPQR,而2-XYZ的表现较差;VPCM方法在75组光源下对四组样本集的平均重构色差ΔEab也为最小,且最大样本平均色差及方差均要小于其他两种方法;VPCM方法的重构光谱精度介于Lab-PQR和2-XYZ之间,Lab-PQR的重构光谱精度最高。实验结果显示新方法色度压缩精度整体优于对比的两种方法,在变换参考条件下具有良好的色差稳定性,能够较好的应用于多光谱数据色度高保真压缩。     

Mean stress dependent nonlinear hyperelasticity coupled with damage stiffness degradation. A thermodynamical approach

Porous materials, such as geomaterials, exhibit a behaviour dependent on the confining pressure. The aim of this paper is to study the degradation of the elastic stiffness of mean stress dependent materials, due to the deterioration of the microstructure during loading.Continuum damage mechanics offers a framework to model this rigidity deterioration. In addition to the concept of effective stress, a choice has to be made between two widely used hypotheses, the principle of strain equivalence and the principle of equivalent elastic energy, in order to build a complete modelling framework.A mean stress dependent hyperelastic formulation is used to ensure a conservative behaviour, and associated to the two previous damage modelling assumptions, whose effects are compared. This allows for mean stress dependent elasticity to be reproduced, with elastic moduli increasing with mean stress while decreasing with damage.     

C-Mg掺杂GaN电子结构和光学性质的第一性原理研究

基于密度泛函理论第一性原理的方法,计算了GaN、C单掺、Mg单掺和C-Mg共掺体系的电子结构和光学性质,计算结果表明:掺杂后,GaN体系的晶格发生畸变,有利于光生空穴-电子对的分离,C-Mg共掺体系结构最稳定,掺杂体系的禁带宽度均减小,其中C-Mg共掺体系的禁带宽度最小,在禁带中引入了杂质能级,说明掺杂可有效降低电子跃迁所需的能量.在光学性质方面,掺杂后,GaN在低能区介电峰和吸收峰均发生红移,且静介电常数增大;其中C-Mg共掺体系的对可见光的吸收最强,极化能力最强,因此C-Mg共掺将有望提高GaN在光催化性能和极化能力.     

A New Variant of Ekeland's Variational Principle for Set-Valued Maps

In this article, following the idea used by Göpfert et al . [A. Göpfert, Chr. Tammer and C. Zalinescu (2000). On the vectorial Ekeland's variational principle and minimal points in product spaces. Nonlinear Analysis, Theory, Methods & Applications , 39 , 909-922] to derive an Ekeland's variational principle for vector-valued functions, we derive a new variant of Ekeland's variational principle for set-valued maps. Finally, we apply this variational principle to obtain an approximate necessary optimality condition for a class of set-valued optimization problems.     

Remarks to an equivalent formulation of ekeland’s variational principle

A recent theorem Of W.Takahashi will be pointed out as an equivalent formulation of Ekelands variational principle. This gives rise to study functions having sets of weak sharp minimas in a generalized sense. Connections to the proximal point algorithm in the convex case leads to the basic and still open question: How to use Ekelands principle numerically