BenLa (n=1-18) 团簇的结构、电子性质和磁性

采用基于密度泛函理论的第一性原理方法,在多种初始构型下充分考虑自旋多重度,研究了BenLa团簇的平衡几何结构、电子性质和磁性.结果表明:BenLa团簇的基态附近有许多能量非常接近的同分异构体,说明该团簇结构较复杂,对其基态的寻找极具挑战性.BenLa团簇具有磁性且稳定性远高于Ben+1团簇,由此可知通过选择合适的掺杂元素可能得到高稳定性的磁性团簇.Be17La团簇特别稳定且能隙与主团簇的能隙相当.体系的磁矩主要来自外层未成对的价电子且La元素的贡献是主要的,除BeLa,Be3La团簇的磁矩为3μB外,其余的都为1μB.     

晶粒尺寸对气相沉积薄膜磁取向生长的影响研究

为了研究强磁场下薄膜取向生长规律,采用真空蒸发气相沉积法分别制备了不同磁场方向生长的Zn和Bi薄膜.XRD结果发现磁化率差异较小的Zn薄膜在4T时产生了明显的取向生长,而磁化率差异较大的Bi薄膜在5T磁场强度还没有发生取向生长.SEM结果显示Zn薄膜和Bi薄膜晶粒尺寸上有明显的差别,利用Zn薄膜在4T磁场下的取向建立晶粒尺寸和取向生长的对应关系,提出薄膜发生取向时晶粒的磁化能须大于热能kT的420倍.薄膜是否发生取向生长取决于三个因素:薄膜单个晶粒的大小V,材料不同晶向的磁化率差异Δ关键词： 强磁场 磁取向 薄膜生长 材料电磁加工     

Phase dependent photoluminescence and energy transfer in Ca2P2O7: Eu2+, Mn2+ phosphors for white LEDs

α- and β-Ca₂P₂O₇: Eu²⁺, Mn²⁺ phosphors were prepared by solid-state reaction. Phase transition from tetragonal (β-phase) to monoclinic (α-phase) is performed. A strong orange emission of Mn²⁺ is observed in both α-and β-Ca₂P₂O₇: Eu²⁺, Mn²⁺ upon near ultraviolet (UV) excitation through energy transfer from Eu²⁺ to Mn²⁺. The transfer efficiencies for various Mn²⁺ concentrations are estimated based on lifetime measurements of the fluorescence of Eu²⁺ in the two phases. The photoluminescence excitation spectra of α-Ca₂P₂O₇: Eu²⁺, Mn²⁺ can cover 400 nm of the near-UV range, denoting its potential use as a phosphor with intense orange component for white light emitting diodes (LEDs).     

荞麦花多糖的提取及含量测定

采用热水提取、乙醇沉淀的方法从荞麦花中提取出了水溶性多糖,采用硫酸-苯酚法在波长为497nm处进行了糖含量的测定,求得其校准曲线的回归方程为y=0.00508x 0.0294,相关系数为r=0.9978.平均回收率为99%-103%,RSD为0.74%.结果显示:荞麦花多糖的产率为2.5%.糖含量为41.63%.     

图形处理器并行计算用于离子发动机粒子模拟

 为了研究离子发动机羽流对航天器的影响,采用质点网格-蒙特卡罗碰撞方法对离子发动机羽流中的交换电荷离子进行了模拟。利用计算设备统一架构技术,开发出一套基于图形处理器的并行粒子模拟程序。随机数生成采用并行MT19937伪随机数生成器算法,电场方程使用完全近似存储格式的代数多重网格法求解。r-z轴对称坐标系中,在z=0 m处获得的电流密度均值为4.5×10^-5 A/m²,图形处理器所得结果与中央处理器模拟结果吻合。在16核心的NVIDIA GeForce 9400 GT图形显示卡上,取得相对于Intel Core 2 E6300中央处理器4.5~10.0倍的加速比。     

Solvothermal synthesis, cubic structure and multicolor upconversion emission of ultrasmall monodisperse lanthanide-doped BaYF5 nanocrystals

Lanthanide (Ln³⁺) doped BaYF₅ (Ln=Yb³⁺, Er³⁺, Tm³⁺) nanocrystals (NCs) with a mean size of approximately 10 nm are synthesized by a solvothermal method using oleic acid as a stabilizing agent at 210 °C. The size of BaYF₅ NCs can be controlled by simply tuning the reaction parameters such as reaction temperature, reaction time and the molar ratio of F⁻/Y³⁺. The detailed structure investigation reveals that the as-synthesized BaYF₅ NCs are in the cubic structure with space group Fm3¯m instead of the reported tetragonal structure. Ln³⁺ cations occupy crystal lattice positions with lower point symmetry, which may lead to high upconversion efficiency under the excitation of a 980 nm diode laser. By adjusting the dopant concentrations of Yb³⁺, Er³⁺ and Tm³⁺, intense near-infrared, blue, yellow and white upconversion emissions are readily realized, respectively. The desirable property of the ultrasmall monodisperse NCs makes it the promising material for the applications in miniaturized solid-state light sources, multicolor three-dimensional display devices and fluorescent labels for biomedicine imaging.     

瞬态热传导问题的一阶对称SPH方法模拟

为提高传统光滑粒子动力学(smoothed particle hydrodynamics, SPH)方法模拟瞬态热传导问题的精度和稳定性,本文提出了一种一阶对称光滑粒子动力学(first order symmetric SPH, FO-SSPH)方法.该方法将具有二阶热传导方程分解成两个一阶偏微分方程,然后基于梯度离散和Taylor级数展开思想,对一阶核梯度形式进行修正,并将得到的局部矩阵对称化.数值结果表明:与传统SPH方法相比,FO-SSPH方法精度高、数值稳定性好; 该方法能较准确地直接施加混合边值 关键词： 瞬态热传导 光滑粒子动力学 非线性     

Surface plasmon resonance sensors based on Ag-metalized nanolayer in microstructured optical fibers

Surface plasmon resonance sensors based on Ag-metalized nanolayer in microstructured optical fibers are theoretically analyzed by using finite element method (FEM). In our simulations we use Drude-Lorentz model to describe the metal dielectric constant. The numerical results show that the sensitivity of Ag-metalized SPR sensor could reach 1167 nm/RIU and corresponding resolution is 8.57×10⁻⁵ RIU. Compared to conventional Au-metalized SPR sensors the performance of our device is obviously better.     

因素空间与概念内涵的表示

本文综合应用因素空间、信息系统和重于关系的方法,讨论了概念的内涵表示及其他有关问题。特别是,对在描述概念问题中不同于内涵和外延的第三种方法,即典型示范表示做了进一步的分析。     

Path continuity of fractional Dirichlet functionals

We prove that the quasi continuous version of a functional in E^p_r is continuous along the sample paths of the Dirichlet process provided that p>2, 0<r?1 and pr>2, without assuming the Meyer equivalence. Parallel results for multi-parameter processes are also obtained. Moreover, for 1<p<2, we prove that a n parameter Dirichlet process does not touch a set of (p,2n)-zero capacity. As an example, we also study the quasi-everywhere existence of the local times of martingales on path space.