三维荧光光谱的特征区域选择方法

将数学中的二元凸函数判定和数据挖掘中的聚类分析方法结合,提出了针对三维荧光的光谱区域选择方法,并利用此种方法从光谱图中提取出含有丰富光谱信息的凸集区域。对水体中总有机碳的检测和白酒中黄曲霉素的检测进行了实验研究,实验结果表明,采用本文提出的三维荧光光谱区域选择方法提高了模型的精度,与利用全光谱所建立的回归模型相比,模型精度分别提高了6.17%和4.97%。     

一种可扩展的三维半导体器件并行数值模拟算法

在基于漂移-扩散模型的三维半导体器件数值模拟中,通过有限体积法进行数值离散,采用完全耦合的牛顿迭代求解非线性代数方程组,并使用基于代数多重网格预条件子的GMRES方法求解牛顿迭代中的线性方程组,构造一种稳健且高度可扩展的非结构四面体网格上求解半导体方程的并行算法.基于PHG平台实现该算法的并行计算程序,并对PN结和MOS场效应晶体管等问题进行了最大网格规模达到5亿单元、最大并行规模达到1 024进程的大规模数值模拟实验,结果表明,该算法计算效率高,可扩展性好.     

基于选择性模型组合的三维荧光光谱水质分析方法

为提高三维荧光光谱水质分析的精度,提出一种选择性模型组合方法,采用相关系数法对三维荧光光谱激发波长进行选择,并将被选中的激发波长下的荧光发射光谱水质分析子模型采用岭回归法进行模型组合,得到对水质指标的组合模型。以一组总有机碳(TOC)范围在3.41～125.35 mg·L-1,化学需氧量(COD)范围在22.80～330.60 mg·L-1的32个地表水和城市生活污水水样做为研究对象,对其三维荧光光谱220～400 nm范围内的10个激发波长采用上述方法进行选择,分别针对TOC和COD指标筛选出260,280,400 nm和220,280,400 nm各3个激发波长。采用部分最小二乘方法建立上述激发波长下荧光发射光谱水质分析子模型,根据岭回归法计算各子模型的组合系数,分别得到对TOC和COD指标的组合模型。实验结果表明：采用该方法得到的组合模型对TOC和COD两种指标的预测误差均方根(RMSEP)相比精度最高的单一荧光发射光谱子模型分别减小了15.4%和17.5%,相比未经模型选择的组合模型分别减小了6.1%和10.9%。     

天然气在不同初始温度和压力下的燃烧特性研究

利用定容燃烧弹研究了不同初始温度和初始压力下的天然气燃烧特性,分析了初始温度、初始压力和当量比对其燃烧过程的影响.研究结果表明:随着初始温度的升高(300～450 K),天然气质量燃烧速率明显增加,燃烧持续期和火焰发展期显著缩短.随着初始压力的升高(0.1～0.75 MPa),天然气质量燃烧速率明显减慢,燃烧持续期和火焰发展期显著增长.且稀混合气和浓混合气条件下初始温度和初始压力的变化对燃烧持续期和火焰发展期的影响更明显.     

近红外光谱分析中建模校正集的选择

将极大线性无关组的概念及方法引入近红外光谱分析,探讨了在建立定量分析模型时代表性样品,即校正集样品的选择问题。以2 652个烟末样品为实验材料,随机选取1 001个样品构成预测集,其余1 651个样品为代表性样品备选集。用Matlab软件求出代表性样品备选集光谱矩阵的极大线性无关组,以此作为代表性样品,构成建模的校正集。用PLS回归法建立了烟末样品总糖含量定量分析的预测模型,并将模型用于预测集中1 001个烟末样品总糖含量的预测分析。实验结果表明,当选择的校正集包含的样品数量大于32时,所建各模型对预测集样品预测的平均相对误差均小于4%,平均相关系数大于0.96。其中选择32个代表性样品和146个代表性样品所建模型定量分析预测集中各样品的总糖含量,两个结果经统计检验没有显著性差异(α=0.05),说明求极大线性无关组的方法用于校正集样品的选择,可实现“少而精”选择样品的目的。此外,我们用求极大线性无关组选择校正集样品和随机方法选择校正集样品两种方法,选择了同样数目28,32,41,76,146,163个样品建模进行预测效果的对比实验,结果显示,求极大线性无关组法选择校正集建模的预测效果优于随机选择校正集建模的预测效果。     

氧等离子体处理对纳米二氧化硅溶胶涂覆高强、高模聚乙烯纤维拉伸性能的影响

基于艾琳方程,提出用于定量分析纤维表面和纳米涂覆层间的纳米界面结构的理论模型.实验结果表明,纤维高分子链段受力塑性变形时,纳米界面结构内纳米微粒阻碍其形貌变化产生热激活体积,该热激活体积是纳米界面结构性能的重要表征;氧等离子体处理对纳米二氧化硅溶胶涂覆高强、高模聚乙烯纤维有增韧作用.由不同处理样品的扫描电子显微镜图片和傅里叶变换红外光谱曲线对比分析可知,经氧等离子体处理纳米二氧化硅溶胶涂覆高强、高模聚乙烯纤维的纳米涂覆层纳米颗粒分布均匀,纳米颗粒还填补纤维表面微观缺陷,活性官能团被引入到纤维表面. 关键词： 激活体积 氧等离子体 高强、高模聚乙烯纤维 纳米界面结构     

A cell functional minimization scheme for parabolic problem

We are interested in a robust and accurate finite volume scheme for 2-D parabolic problems derived from the cell functional minimization approach. The scheme has a local stencil, is locally conservative, treats discontinuity rigorously and leads to a symmetric positive definite linear system. Since the scheme has both cell centered unknowns and cell edge unknowns, the computational cost is an issue and a parallel algorithm is then suggested based on nonoverlapping domain decomposition approach. The interface condition is of the Dirichlet–Robin type and has a parameter λ. By choosing this parameter properly, the convergence of the iteration process could be sped up. Numerical results for linear and nonlinear problems demonstrate the good performance of the cell functional minimization scheme and its parallel version on distorted meshes.     

INVESTIGATION OF A QUASI-STEADY LIQUID CRYSTAL TECHNIQUE FOR FILM COOLING HEAT TRANSFER MEASUREMENTS

A quasi-steady technique to simultaneously measure the local heat transfer coefficient and cooling effectiveness on surfaces involving film cooling situations is investigated. The method employs a composite slab consisting of a very thin laminate layer of low-thermal-conductivity material superposed upon a highly conductive metal substrate. The resulting heat transfer in the thin laminate is described by one-dimensional conduction. A very thin coating of thermochromic liquid crystals sprayed onto the surface of the laminate is used in conjunction with a computer image processing procedure to provide local surface temperature data. This information, combined with the substrate and mainstream gas temperatures, provides highly detailed (90 video pixels/cm²) local convection heat transfer distributions. The method is used to conduct flat-plate film cooling experiments consisting of a single row of discrete holes inclined at 35 to the mainstream flow. The local surface temperature is influenced by the combination of two interacting fluid streams at different temperatures. A numerical analysis was performed to assess the assumptions underlying the data reduction procedure. The experimental uncertainty of 7% in the heat transfer coefficient is comparable to prior studies. Furthermore, the uncertainty of 5% in the film cooling effectiveness, coupled with the negligible lateral conduction errors, indicates the present technique offers a unique capability for accurate measurement of the local film cooling effectiveness.     

Effects of pressure and temperature on the solubility of monosodium L-glutamate monohydrate in water

Abstract

The solubility of monosodium L-glutamate monohydrate (MSG.H₂O) in water was measured at pressures in the range of 0.10-300MPa and 298.15K. The density of MSG solution at high concentrations and heat of solution at saturated concentration were also measured at atmospheric pressure. The solubility, m_s, increased with increasing pressure and the pressure coefficient, Θ_p, [?(? In m_s,? p)_T] at 0.10 MPa was (2.0 ± 0.1) × 10-¹⁰Pa-1. It agrees well with (2.1 ±0.2)× 10-¹⁰ Pa-¹ thermodynamically estimated using the partial molar volume, the activity coefficient of the solute in solution, and the molar volume of the crystal. The excellent agreement at 0.10MPa gives us confidence in the solubility data at higher pressures. The heat of solution data and other pertinent values were used to calculate the temperature coefficient of solubility, Θ_T [? (? In m_s/?(1/T))_p], by a thermodynamic equality. The resulting Θ_T compares well with the data directly measured by Ogawa.     

西范坪矿区土壤铜元素的高光谱响应与反演模型研究

为解决传统的土壤地球化学测量方法成本高、效率低等问题,研究了利用可见-近红外光谱技术检测土壤重金属含量的简易方法。研究对西范坪矿区土壤反射光谱进行微分、连续统去除等六种变换,利用逐步回归法和皮尔逊相关系数选出对土壤铜含量敏感的特征波段,组成综合特征变量集,再应用不同的特征变量选取方法和参数建立估算模型并检验。结果表明：不同的光谱变换方法对土壤铜含量信息提取能力不同,每种光谱变换都对应特定的敏感波谱区间;基于综合光谱变换信息建立的土壤铜含量反演模型精度优于基于单种光谱变换信息建立的模型;利用综合光谱变换信息建立土壤铜含量反演模型,后向剔除法优于前向引入法和逐步回归法,当Removal取0.20时得到最优回归模型,其模型决定系数R2和预测模型决定系数R2_pre分别达到了0.851和0.830,建模均方根误差RMSEC和预测均方根误差RMSEP分别为0.349和0.468 mg·kg-1,能较好地检测土壤铜含量,同时为其他土壤重金属元素的光谱检测提供了思路。