多峰离子源的三维数值模拟优化与设计

本文理论计算了多峰离子源永磁体, 采用二体碰撞模型处理电子之间的库仑碰撞, 运用空碰撞方法处理电子与氢元素相关粒子碰撞, 开发了全三维粒子模拟-蒙特卡罗模拟算法, 并采用此软件对热门多峰离子源JET-60U的两种优化设计模型进行数值模拟研究, 探索了两种离子源空间分布特性和体积负氢离子产率相关问题, 提出了负氢离子源设计的基本思想: 适当调整离子源多峰磁场分布情况可以输出均匀离子束; 适当调整引出磁场大小和离子源结构, 可以达到离子束空间均匀性和高产率兼顾的效果.     

基于均匀设计优化深山草莓花瓣离体培养及植株再生体系

应用均匀设计法对深山草莓花瓣诱导愈伤组织和愈伤组织再分化芽苗的主要因子和水平进行了探讨.结果表明,深山草莓花瓣愈伤组织诱导的适宜培养基为LS+TDZ 2.06 mg.L-1+2,4-D 0.60 mg.L-1,诱导率为98%;愈伤组织再分化芽苗的适宜培养基为1/2 LS+TDZ 2.30 mg.L-1+NAA 0.10 mg.L-1+KT1.30 mg.L-1,分化率为96.3%.炼苗移栽后观察植株的形态、花、果及生长等特征,以筛选具有优良性状的株系.     

用于红外激光防护的高开关率VO2薄膜

采用反应离子束溅射和后退火处理技术在石英玻璃基底上制备了具有纳米粒子的二氧化钒(VO₂)薄膜. 该薄膜具有半导体-金属相变特性,在3 μm处的开关率达到76.6%。 热致相变实验结果给出了准确的最佳退火温度为465 ℃. 仿真、热致相变和光致相变实验都显示VO₂薄膜在红外波段具有很高的光学开关特性. 光电池防护实验结果显示VO₂薄膜将硅光电池的抗干扰能力提升了2.6倍, 证明了VO₂在激光防护中的适用性. 采用连续可调节系统研究得到VO₂在室温条件下的相变阈值功率密度为4.35 W/cm², 损伤阈值功率密度为404 W/cm²。 低相变阈值和高损伤阈值都进一步证明VO₂薄膜适用于激光防护系统。本实验制备的VO₂薄膜在光开关、光电存储器、智能窗等方面也具有广泛的应用价值.     

Sol-gel法制备CaSnO_3∶Eu~(3+)发光粉过程中添加PEG的作用

采用sol-gel法制备CaSnO3:Eu3+荧光粉。研究了在制备过程中添加表面活性剂聚乙二醇(PEG10000)对CaSnO3:Eu3+结构、粒度、形貌及发光性能的影响。通过X射线衍射(XRD)、激光粒度仪,扫描电镜(SEM)及荧光分光光度计对样品进行了表征。结果表明:在制备过程中添加PEG没有改变样品的结构,很好地改善样品粒度以及形貌,荧光粉的相对发光强度也稍有增强。     

Organophosphine/phosphite‐stabilized silver(I) complexes bearing N‐acetylbenzamide ligand: synthesis,characterization and potential application in metal organic chemical vapor deposition

New N‐silver(I) acetylbenzamide complexes of type L_n?AgNC₉H₈O₂ (L = PPh₃; n = 1, 2a; n = 2, 2b; n = 3, 2c; L = P(OEt)₃; n = 1, 2d; n = 2, 2e; n = 3, 2f) were prepared. These complexes were obtained in high yields and characterized by elemental analysis, ¹H NMR, ¹³C{H} NMR, ³¹P{H} NMR and IR spectroscopy, respectively. The molecular structure of 2b has been determined by X‐ray single‐crystal analysis in which the silver atom is in a distorted tetrahedral geometry and crystallizes as cis–trans. New N‐silver(I) acetylbenzamide complexes have a four‐membered ring, which could influence their chemical and physical properties and modulate volatility. Metal organic chemical vapor deposition experiments were carried out successfully at 400°C and 450°C using 2e as precursor for the deposition of silver films, respectively. The high‐purity silver film obtained at 400°C is dense and homogeneous. Copyright © 2012 John Wiley & Sons, Ltd.     

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.     

嵌套简单ILU分解代数预处理方法

In this paper, we propose a nested simple incomplete LU decomposition (NSILU) method for preconditioning iterative methods for solving largely scale and sparse ill-conditioned hnear systems. NSILU consists of some numerical techniques such as simple modification of Schur complement, compression of ill-condition structure by permutation, nested simple ILU, and inner-outer iteration. We give detailed error analysis of NSILU and estimations of condition number of the preconditioned coefficient matrix, together with numerical comparisons. We also show an analysis of inner accuracy strategies for the inner-outer iteration approach. Our new approach NSILU is very efficient for linear systems from a kind of two-dimensional nonlinear energy equations with three different temperature variables, where most of the calculations centered around solving large number of discretized and illconditioned linear systems in large scale. Many numerical experiments are given and compared in costs of flops, CPU times, and storages to show the efficiency and effectiveness of the NSILU preconditioning method. Numerical examples include middle-scale real matrices of size n = 3180 or n = 6360, a real apphcation of solving about 755418 linear systems of size n = 6360, and a simulation of order n=814080 with structures and properties similar as the real ones.     

GeFe2O4晶体的基态能级和零场分裂参量

GeFe₂O₄是一种单晶化合物，考虑到由3个〈111〉方向之一的一个 轴，从一个中心位置 到另一个中心位置之间，以Fe²⁺离子为中心离子和O^2-为配体构 成了三角（C 3v）对称体系.利用不可约张量理论，建立了3d⁴/3d⁶离子三角（C3 v）对称的晶体场和 自旋相互作用哈密顿矩阵，因此，由完全对角化的晶体场和自旋-轨道相互作用哈密顿矩阵 和电子顺磁共振理论公式求出单晶GeFe₂O₄中Fe²⁺离子 的电子顺磁共振零场分 裂参量D和F-a.并研究了自旋三重态对电子顺磁共振（EPR）零场分裂的贡献.结果显示自旋 三重态对基态零场分裂的贡献是较强的，理论计算结果与实验值相符. 关键词： 自旋三重态 晶体场 低自旋态 高自旋态 零场分裂     

Al高掺杂浓度对ZnO禁带和吸收光谱影响的第一性原理研究

采用密度泛函理论框架下的第一性原理平面波超软赝势方法, 建立了未掺杂与不同浓度的Al原子取代Zn原子的两种Zn_1-xAl_xO超胞模型,分别对模型进行了几何结构优化、态密度分布和能带分布的计算. 结果表明: ZnO高掺杂Al的条件下, 掺杂的Al原子浓度越大,间隙带越窄, 蓝移越弱. 计算结果和实验结果相一致.