钯在乙醇水溶液中与钌、银、铜和铅的析相绿色萃取分离

在硫酸铵存在下,乙醇水溶液能够分为醇/水两相,在分相过程中,Pd²⁺与KBr和C₂H₅OH₂⁺生成的[PdBr₄^2-][C2HsOH-2⁺]₂三元缔合物能被乙醇相萃取,使Pd²⁺与Ru²⁺、Ag⁺、Cu²⁺和Pb²⁺完全分离。该法在微量钯的分离和富集分析中有一定的实用价值。     

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。     

常微分方程系统李雅普诺夫特性指数的研究

讨论常微分方程系统李雅普诺夫特性指数的一些基本问题,包括数值计算技术和常微分方程系统任何平衡点以外极限集的李雅普诺夫指数必有一个为零的结论.给出超混沌吸引子必超出3维的结论,指出基于常微分方程求解李雅普诺夫指数的Wolf程序使用中初值的选取对结果的影响.同时提出一种简便可行的计算条件李雅普诺夫指数方法.通过数值研究一些重要模型进一步说明本文的观点及提出的方法.对常微分方程系统任何平衡点以外极限集的李雅普诺夫指数必有一个为零的结论进行了讨论,可以作为分析结果和计算方法的有利工具,在一些工作中被忽视. 关键词：     

堆外探测器响应函数三维空间分布计算

堆外探测器响应函数代表了堆芯活性区各组件对堆外探测器计数率的贡献,反映了堆芯功率分布与探测器计数率的关系。研究了三维离散纵标法(SN)程序TORT的共轭输运方法,并开发相应的处理程序,实现了柱坐标下的三维共轭中子注量率到压水堆各燃料组件响应函数的转换。并基于CAP1400核电厂反应堆模型,分析了其堆外探测器响应函数空间分布的特性,与采用TORT多次正向输运计算结果进行了对比分析,两者符合较好。通过本文研究,实现了压水堆核电厂堆外探测器响应函数的三维空间分布计算。     

理论研究F2BN3多聚体的结构特色和热力学稳定性

在密度泛函理论（DFT）B3LYP/6-311+G*水平上计算研究了叠氮二氟硼多聚体(F2BN3)n (n=1-4),获得了它们的结构和热力学性质,讨论了几何参数随聚合度的变化趋势。多聚体(F2BN3)2-4的优化构型均为由不同子体系的叠氮基α−N和B原子相连形成的环状结构。三聚体的船扭式构象比椅式构象的结合能低10.54 kJ•mol-1;四个新获得的四聚体的结合能差异较大,大小为3.1~45.65 kJ•mol-1。由焓变可知,单体形成二聚体在热力学上是不利的,而形成三聚体和四聚体在高达1200 K的温度下是有利的,同时分析比较了后续反应的热力学参数。     

An alternating periodic－chaotic ISI sequence of HH neuron under external sinusoidal stimulus

A study of Hodgkin－Huxley (HH) neuron under external sinusoidal excited stimulus is presented in this paper. As is well known, the stimulus frequency is to be considered as a bifurcate parameter, and numerous phenomena, such as synchronization, period, and chaos appear alternatively with the changing of the stimulus frequency. For the stimulus frequency less than 2f_B (f_B being the base frequency in this paper), the simulation results demonstrate that the single HH neuron could completely convey the sinusoidal signal in anti-phase into interspike interval (ISI) sequences. We also report, perhaps for the first time, another kind of phenomenon, the beat phenomenon, which exists in the phase dynamics of the ISI sequences of the HH neuron stimulated by a sinusoidal current. It is shown furthermore that intermittent transition results in the general route to chaos.     

基于腔面非注入区的半导体激光器的热特性分析

利用Ansys有限元分析软件模拟了宽条形激光器腔面在不同生热率条件下对有源区温度的影响,并对带有腔面非注入区的激光器结构进行了热分析,比较了不同长度的非注入区结构的器件的温度特性。腔面的温升对器件可靠性影响极大,计算结果表明随着非注入区宽度的增加,芯片前腔面有源区的温度明显降低。结果为采用非注入区结构提高COD阈值功率提供了设计参考。     

B-Spline with Symplectic Algorithm Method for Solution of Time-Dependent Schrodinger Equations

A B-spline with the symplectic algorithm method for the solution of time-dependent Schrodinger equations （TDSEs） is introduced. The spatial part of the wavefunction is expanded by B-spline and the time evolution is given in a symplectic scheme. This method allows us to obtain a highly accurate and stable solution of TDSEs. The effectiveness and efficiency of this method is demonstrated by the high-order harmonic spectra of one-dimensional atoms in comparison with other references.     

8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide分子的晶体结构

运用层析法、结晶法从狭苞橐吾全草中分离得到艾里莫芬烷型倍半萜8β-hydroxyeremophil-7(11)-ene-12,8α(4β,6α)-diolide化合物,并通过质谱、核磁共振氢谱和碳谱、氢核-氢核相关谱、异核多量子相干谱和异核多键相干谱进行结构鉴定．其单晶经X射线衍射测试表明,其晶体属正交晶系,空间群为P212121,晶胞参数为: a=6．8519(5),b=10．7191(8),c=18．5942(14)A,V=1365．67(18) A3,Z=4,Dc=1．354 mg／m3．F(000)=592,μ=0．101 mm-1     

Growth and Characterization of A1GaN/A1N/GaN HEMT Structures with a Compositionally Step-Graded A1GaN Barrier Layer

A new A1GaN/A1N/GaN high electron mobility transistor （HEMT） structure using a compositionally step-graded A1GaN barrier layer is grown on sapphire by metalorganic chemical vapour deposition （MOCVD）. The structure demonstrates significant enhancement of two-dimensional electron gas （2DEG） mobility and smooth surface morphology compared with the conventional HEMT structure with high A1 composition A1GaN barrier. The high 2DEG mobility of 1806 cm2/Vs at room temperature and low rms surface roughness of 0.220 nm for a scan area of 5μm×5 μm are attributed to the improvement of interracial and crystal quality by employing the stepgraded barrier to accommodate the large lattice mismatch stress. The 2DEG sheet density is independent of the measurement temperature, showing the excellent 2DEG confinement of the step-graded structure. A low average sheet resistance of 314.5Ω/square, with a good resistance uniformity of 0.68%, is also obtained across the 50 mm epilayer wafer. HEMT devices are successfully fabricated using this material structure, which exhibits a maximum extrinsic transconductance of 218 mS/ram and a maximum drain current density of 800 mA/mm.