高压下ZnS的电子结构和性质

运用密度泛函理论体系下的平面波赝势(PWP)和广义梯度近似(GGA)方法，计算研究了闪锌矿结构的ZnS晶体在不同的外界压强下的电子结构. 通过分析发现，随着外界压强的增大，晶格常数和键长在不断缩小，从S原子向Zn原子转移的电荷越来越少，Zn—S键的共价性逐渐增强，Zn原子和S原子的态密度都有不同程度的变化，而且还有向低能量移动的趋势. 当外界压强达到24GPA时，ZnS从直接带隙半导体变成间接带隙半导体，而且随着压强的增大，间接带隙逐渐变小，直接带隙逐渐增大. 关键词： 闪锌矿结构 态密度 能带结构 密度泛函理论     

YBa2Cu3O7-δ/La0.6Pb0.4MnO3多层膜的制备及激光感生热电电压效应的研究

采用脉冲激光沉积法在倾斜LaAlO3(100)衬底上制备了(YBa2Cu3O7-δ/La0.6Pb0.4MnO)L(L为多层膜周期数)外延多层膜.X射线衍射谱显示(YBCO/LPMO)L多层膜沿c轴生长.观察到多层膜中有很大的激光感生热电电压(LITV)出现,与YBa2Cu3O7-δ(YBCO)和La0.6Pb0.4MnO3(LPMO)单层膜相比,多层膜的LITV信号有约一个数量级的增强.讨论了影响(YBCO/LPMO)L多层膜的LITV效应的因素.     

超光速群速度与信息传输的有效速度

研究了反常色散介质中脉冲形变对超光速群速度的影响,发现即使光脉冲完全不产生形变群速度仍会超过真空中的光速。但波包的群速度并不等同于信号的传输速度,采用信息论方法,定义了信号的有效传输速度,并用于解释WKD(Wang,Kuzmich,Dogariu)实验。通过计算入射光与出射光信号所携带的信息量,发现由于光的波动衍射及光子散粒噪声的影响,出射光所携带的信息量会损失,使得光信号的有效传播速度不会超过真空中的光速。     

Synthesis and luminescence properties of lanthanide(III) chelates with polyacid derivatives of thienyl-substituted terpyridine analogues

Two new polyacid derivative ligands of thienyl-substituted terpyridine analogues, N,N,N¹,N¹-[4′-(2?-thienyl)-2,2′:6′,2″-terpyridine-6,6″-diyl]bis(methylenenitrilo) tetrakis(acetic acid) (TTTA) and N,N,N¹,N¹-[2,6-bis(3′-aminomethyl-1′-pyrazolyl)-4-(2″-thienyl)pyridine] tetrakis(acetic acid) (BTTA), were synthesized, and the luminescence properties of their Eu³⁺ and Tb³⁺ chelates were investigated. The Eu³⁺chelates of the two ligands are strongly luminescent having luminescence quantum yields of 0.150 (TTTA-Eu³⁺) and 0.114 (BTTA-Eu³⁺), and lifetimes of 1.284 ms (TTTA-Eu³⁺) and 1.352 ms (BTTA-Eu³⁺), whereas their Tb³⁺ chelates are weakly luminescent. The TTTA-Eu³⁺ chelate was used for streptavidin (SA) labeling, and the labeled SA was used for time-resolved fluoroimmunoassay of insulin in human sera. The method gives the detection limits of 33 pg ml⁻¹.     

Single-molecule surface-enhanced Raman scattering of R6G in aqueous environment under non-resonance conditions

The single-molecule surface-enhanced Raman scattering(SERS) spectra of Rhodamine 6G(R6G) in an aqueous environment under non-resonance conditions are studied.Series of spectra are recorded in timemapping mode,and intensity fluctuations of SERS signals and spectral diffusion are observed.The correlations between the presence frequency of SERS spectra and number of hot spots as well as the quantity of molecules in scattering volume are examined thoroughly.The results indicate that only molecules located at hot spots produce good signal-to-noise ratio Raman spectra and the origin of fluctuating SERS signals are mainly ascribed to the movement of hot spots.     

Effects of MnO<Subscript>2</Subscript> nano-particles on the conductivity of PMMA-PEO-LiClO<Subscript>4</Subscript>-EC polymer electrolytes

Li-ion rechargeable batteries based on polymer electrolytes are of great interest for solid state electrochemical devices nowadays. Many studies have been carried out to improve the ionic conductivity of polymer electrolytes, which include polymer blending, incorporating plasticizers and filler additives in the electrolyte systems. This paper describes the effects of incorporating nano-sized MnO₂ filler on the ionic conductivity enhancement of a plasticized polymer blend PMMA–PEO–LiClO₄–EC electrolyte system. The maximum conductivity achieved is within the range of 10⁻³ S cm⁻¹ by optimizing the composition of the polymers, salts, plasticizer, and filler. The temperature dependence of the polymer conductivity obeys the VTF relationship. DSC and XRD studies are carried out to clarify the complex formation between the polymers, salts, and plasticizer.     

LNG船用BOG再液化装置工艺流程模拟

文中运用工程模拟计算软件ASPEN PLUS对LNG船用蒸发气体(BOG)再液化装置工艺流程进行了较全面和深入的模拟计算.通过对模拟计算结果进行分析,得到用丙烯预冷的再液化工艺流程中的主要工艺设备运行参数:海水冷凝器冷凝温度、BOG压缩机出口压力、丙烯压缩机出口压力以及混合制冷剂压缩机出口压力对再液化效率和能耗有着不同...     

Self-consistent treatment of spin and magnetization dynamic effect in spin transfer switching

The effect of itinerant spin moment (m) dynamic in spin transfer switching has been ignored in most previous theoretical studies of the magnetization (M) dynamics. Thus in this paper, we proposed a more refined micromagnetic model of spin transfer switching that takes into account in a self-consistent manner of the coupled m and M dynamics. The numerical results obtained from this model further shed insight on the switching profiles of m and M, both of which show particular sensitivity to parameters such as the anisotropy field, the spin torque field, and the initial deviation between m and M.     

Enhanced ferroelectric properties of (Pb0.90La0.10)Ti0.975O3 multilayered thin films prepared by RF magnetron sputtering

The (Pb_0.90La_0.10)Ti_0.975O₃/PbTiO₃ (PLT/PT), PbTiO₃/(Pb_0.90La_0.10)Ti_0.975O₃/PbTiO₃ (PT/PLT/PT) multilayered thin films with a PbO_x buffer layer were in situ deposited by RF magnetron sputtering at the substrate temperature of 600 °C. With this method, highly (1 0 0)-oriented PLT/PT and PT/PLT/PT multilayered thin films were obtained. The PbO_x buffer layer leads to the (1 0 0) orientation of the films. The dielectric, ferroelectric and pyroelectric properties of the PLT multilayered thin films were investigated. It is found that highly (1 0 0)-oriented PT/PLT/PT multilayered thin films possess higher remnant polarization 2P_r (44.1 μC/cm²) and better pyroelectric coefficient at room temperature p (p = 2.425 × 10⁻⁸ C/cm² K) than these of PLT and PLT/PT thin films. These results indicate that the design of the PT/PLT/PT multilayered thin films with a PbO_x buffer layer should be an effective way to enhance the dielectric, ferroelectric and pyroelectric properties. The mechanism of the enhanced ferroelectric properties was also discussed.     

Stability analysis of a Maxwell fluid in a porous medium heated from below

Based on a modified-Darcy–Brinkman–Maxwell model, stability analysis of a horizontal layer of Maxwell fluid in a porous medium heated from below is performed. By solving the eigenvalue problems, the critical Rayleigh number, wave number and frequency for overstability are determined. It is found that the critical Rayleigh number for overstability decreases as the relaxation time increases and the elasticity of a Maxwell fluid has a destabilizing effect on the fluid layer in porous media. On the other hand, the critical Rayleigh number for overstability increases by increasing the porous parameter which acts to stabilize the system. In limiting cases, some previous results for viscoelastic fluids in nonporous media are recovered from our results.