高电荷态离子129Xe29+与不同金属表面作用产生的X射线谱

研究了高电荷态离子129Xe29+入射金属Au、Mo、Be表面产生的特征X射线谱。实验结果表明,在入射离子的动能相同时,Au的Mα1-X射线产额比Mo的Lα1-X、Lα2-X、Lβ 1-X射线总产额高,特征X射线的产额随入射离子动能的增加而显著增加;不同动能的Xe29+入射金属Au、Mo、Be表面均未产生Xe的特征X射线。     

基于无基底焦平面阵列红外热像仪的理论模型分析

基于双材料微悬臂梁热变形原理的光学读出非制冷红外探测阵列经历了从有基底结构向无基底结构的发展过渡,无基底阵列的红外成像结果和有限元模型分析均表明无基底阵列不满足恒温基底条件.本文结合电学比拟的方法,提出了一种新的基于无基底焦平面阵列(focal plane Array,FPA)的热传递分析的理论模型.分析采用整体考虑的思路,避开了无基底FPA阵列各单元热传递互相影响所产生的复杂热分布分析,并考虑了框架对热量的吸收与传递.理论模型采用外边框与环境等温的边界条件,虽不及有限元方法对边界条件的处理灵活,但也已取 关键词： 光学读出 无基底 非制冷红外成像 焦平面阵列     

基于振荡序列的灰色GM(1,1|sin)幂模型及其应用

针对现实中普遍存在的振荡序列预测问题,传统灰色模型的预测效果并不理想。为此,在现有灰色GM(1,1|sin)模型基础上,提出了GM(1,1|sin)幂模型,给出了最小二乘准则下的参数计算公式;构建了以平均模拟相对误差最小化为目标的非线性优化模型,利用粒子群优化算法求得最优参数。最后,将新模型应用于城市交通流和高新技术产品出口额模拟预测,并将预测结果与传统GM(1,1)模型、GM(1,1)幂模型和GM(1,1|sin)模型进行了比较,结果表明,新模型具有更高的模拟精度,更适合对振荡序列的预测分析。     

氢气在炭狭缝微孔内吸附的预测

通过边界的平均场近似,推导二平板狭缝孔格子理论Ono-Kondo吸附等温方程。利用格子模型特性和微观物理学理论,计算氢分子在石墨平面的最大吸附容量。比较由氢分子在石墨平面二典型聚集状态标定的Ono-Kondo方程,并用预测精度较高的方程计算了与文献相同条件下的吸附等温线。在比较了计算结果、试验结果和GCMC分子模拟结果后,对Ono-Kondo吸附等温方程的特点、理论基础作了分析,指出了方程的适用范围。     

在SQUID心磁测量中基于奇异值分解和自适应滤波的噪声消除法

采用矩阵奇异值分解(singular value decomposition, SVD)的方法，对高温射频超导量子干涉仪(HTc rf-SQUID)采集到的单通道心磁信号进行处理.证明了对于近似周期性的心磁信号，在无参考噪声的情况下矩阵奇异值分解的方法与自适应窄带陷波相结合有较好的消除广谱噪声的效果. 关键词： 高温射频超导量子干涉仪 心磁信号 奇异值分解 噪声消除     

Unexpectedly ligand-free copper-catalyzed C–S cross-coupling of benzothiazole with aryl iodides in aqueous solution

A novel synthetic protocol for 2-aminophenyl sulfide derivatives via the reactions of benzothiazole with aryl iodides was reported for the first time. The reactions were catalyzed by CuCl with tetrabutylammonium hydroxide as the base and water as the solvent without ligand at 50 °C or room temperature. A variety of aryl iodides underwent the C–S cross-coupling reaction with benzothiazole to afford smoothly the corresponding products in excellent yield.     

Novel ether-functional spiro-tetronic acid derivatives: molecule design, convenient synthesis and biological evaluation

A novel series of ether functionalization of spiro-tetronic acid derivatives have been designed and conveniently synthesized via three steps, including esterification, one-pot heterocyclization, and etherification reactions. The target molecules have been identified on the basis of analytical spectra data. All newly synthesized compounds have been screened for their potential insecticidal activity against Heliothis armigera and Plutella xylostella compared with spirodiclofen by standard method.     

A simplified adaptive Cartesian grid system for solving the 2D shallow water equations

This paper presents a new simplified grid system that provides local refinement and dynamic adaptation for solving the 2D shallow water equations (SWEs). Local refinement is realized by simply specifying different subdivision levels to the cells on a background uniform coarse grid that covers the computational domain. On such a non‐uniform grid, the structured property of a regular Cartesian mesh is maintained and neighbor information is determined by simple algebraic relationships, i.e. data structure becomes unnecessary. Dynamic grid adaptation is achieved by changing the subdivision level of a background cell. Therefore, grid generation and adaptation is greatly simplified and straightforward to implement. The new adaptive grid‐based SWE solver is tested by applying it to simulate three idealized test cases and promising results are obtained. The new grid system offers a simplified alternative to the existing approaches for providing adaptive mesh refinement in computational fluid dynamics. Copyright © 2011 John Wiley & Sons, Ltd.     

带电纳米颗粒与相分离的带电生物膜之间相互作用的分子模拟

纳米颗粒在纳米医药、细胞成像等领域有着非常广泛的应用,深入理解纳米颗粒与生物膜之间相互作用的微观机制是纳米颗粒合成与应用的重要基础.本文采用粗粒化分子动力学模拟的方法研究了带电配体包裹的金纳米颗粒与相分离的带电生物膜之间的相互作用.结果表明,通过改变金纳米颗粒表面的配体密度、配体带电种类和比例,以及膜内带电脂分子的种类,可以方便地调控纳米颗粒在膜表面或膜内停留的位置和状态.进一步从自由能的角度分析了带电纳米颗粒与带电生物膜之间相互作用的微观物理机制.本文对纳米粒子在纳米医药、细胞成像等领域的应用具有一定的理论参考意义.     

类氢及碱金属原子激发态寿命的半经典计算公式

根据对应原理,得到了类氢原子能态平均寿命半经典的计算公式τ(n,l),然后利用相对论单通道量子数亏损理论进行推广,得到用来计算考虑总角动量J的激发态寿命公式τ(n,l,l+1/2)和τ(n,l,l-1/2),利用单通道量子数亏损理论得到了碱金属原子n、l远大于1时激发态寿命的半经典公式τ(n.l)=τ0(m+M/nm/v/+M)2v7l(l+1/2)/n4,其计算结果和实验数据符合的很好.