Dielectronic recombination of Co-like tantalum

Ab initio calculation of the total dielectronic recombination (DR) rate coefficient from the ground state of Co-like tantalum is performed using the relativistic distorted-wave approximation with configuration interaction. The contributions to the total DR rate coefficients are explicitly calculated from the complexes of Ni-like tantalum: 3s²3p⁶3d_3/2³ 3d_5/2⁶ n'l', 3s²3p⁵3d¹⁰n'l', 3s3p⁶3d¹⁰n'l', 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and 3s3p⁶3d⁹4ln'l' with n' ≤ 25, and 3s²3p⁶3d⁸5ln'l' with n' ≤ 9. The l' and n' dependences of partial DR rate coefficients are investigated. The contributions from higher n'complexes are evaluated by a level-by-level extrapolation method. The total DR rate coefficients mainly come from the complex series 3s²3p⁶3d⁸4ln'l', 3s²3p⁵3d⁹4ln'l' and are fitted to an empirical formula with high accuracy. Comparison of the present results with those of other works shows that the previously published data underestimate significantly the DR rates of Co-like tantalum.     

Obtaining local reciprocal lattice vectors from finite‐element analysis

Finite‐element analysis is frequently used by engineers at synchrotron beamlines to calculate the elastic deformation of a single crystal undergoing mechanical bending or thermal load. ANSYS^® Workbench? software is widely used for such simulations. However, although ANSYS^® Workbench? software provides useful information on the displacements, strains and stresses within the crystal, it does not yield the local reciprocal lattice vectors that would be required for X‐ray diffraction calculations. To bridge this gap, a method based on the shape functions and interpolation procedures of the software itself has been developed. An application to the double‐crystal bent Laue monochromator being designed for the I12 (JEEP) wiggler beamline at the Diamond Light Source is presented.     

Rectifying effect of heterojunction fabricated in freestanding thin film of polyaniline containing azobenzene side-chain

An innovative heterojunction is fabricated between two sides of a freestanding thin film of HCl-doped polyaniline (PANI) derivative containing azobenzene side-chain, which is synthesized through an N-alkyl-substituted reaction. Of the film, the side with being irradiated by UV light during preparation is represented as `A side'; the other side without being irradiated is represented as `N side'. The electrical properties of the heterojunction are measured and the rectifying effect is observed in the {current--voltage} characteristic curves with the values of rectifying ratio (γ) being 20 at ±0.06 V at T= 77K and 4 at ±0.02V at T=300 K separately.     

利用DDA方法计算大气气溶胶粒子光学特性

大气气溶胶是大气的重要组成部分,其光学特性是研究大气辐射传输特性的重要参量。本文基于DDA方法,对不同形状气溶胶粒子的光学特性进行计算,得到气溶胶粒子的消光因子、吸收因子随波长变化的数值结果。结合Muller散射矩阵,给出了气溶胶粒子散射强度和极化度的角分布,为研究大气辐射传输提供了有效的方法。     

丙烯酰胺基光致聚合物全息光栅的动力学研究

研究了光致聚合物的光化学反应和单体扩散反应的理论模型及动力学参数. 合成了以聚乙烯醇为粘结剂,三乙醇胺为引发剂,藻红B敏化的丙烯酰胺基光致聚合物全息存储材料,通过对测定的透过率和衍射效率进行曲线拟合,分析了染料浓度对光致聚合物的摩尔吸收系数ε、量子产率Φ和光化漂白速率常数k等光化动力学参数的影响规律,以及曝光强度对聚合反应速率k₀、扩散时间常数τ_D和最大折射率调制度Δn等扩散动力 关键词： 光致聚合物 透过率 衍射效率 动力学参数     

A new car-following model with consideration of the traffic interruption probability

In this paper, we present a new car-following model by taking into account the effects of the traffic interruption probability on the car-following behaviour of the following vehicle. The stability condition of the model is obtained by using the linear stability theory. The modified Korteweg--de Vries (KdV) equation is constructed and solved, and three types of traffic flows in the headway sensitivity space---stable, metastable, and unstable---are classified. Both the analytical and simulation results show that the traffic interruption probability indeed has an influence on driving behaviour, and the consideration of traffic interruption probability in the car-following model could stabilize traffic flow.     

Theoretical Studies on the Fe-M Interactions and 31P NMR in Fe(CO)3(EtPhPpy)2MX2 (X=NCS, SCN, Cl; M=Zn, Cd, Hg)

采用密度泛函理论PBE0方法,计算了单核配合物[Fe(CO)3(EtPhPpy)2] (1)、双核配合物[Fe(CO)3(EtPhPpy)2M(NCS)2] (2:M=Zn,3: M=Cd,4: M=Hg) 和[Fe(CO)3(EtPhPpy)2CdX2] (5:X=Cl,6: X=SCN)的几何构型和电子结构,研究了Fe-M相互作用及其对31P化学位移的影响. 结果表明：配合物的稳定性(S)为S(2)>S(3)>S(4),S(3)≈S(6)>S(5).在[Fe(CO)3(EtPhPpy)2CdX2]体系中,含[SCN]-配合物的稳定性大于含Cl-的. Fe-M相互作用的强度(I )顺序为I (2)≈I (3)相似文献   

Tb3+掺杂硅酸盐玻璃发光性能的浓度依赖关系

 利用高温熔融法制备了不同浓度的Tb³⁺掺杂硅酸盐玻璃,并分别测量了紫外和X射线激发时的发射光谱。光谱结果表明,不同浓度Tb³⁺掺杂硅酸盐玻璃在紫外和X射线激发时发光行为具有相似的浓度依赖关系：低浓度Tb₄O₇掺杂时主要以蓝光(5D₃→⁷FJ)发射为主,而高浓度掺杂时以绿光(⁵D₄→⁷FJ)发射为主。Tb³⁺发光强度与掺杂浓度的关系分析表明,⁵D₃的浓度猝灭是电偶极-电偶极相互作用引起的, 而⁵D₄的浓度猝灭是交换相互作用引起的。     

F(o)rster双分子猝灭作用对卟啉侧链聚合物荧光衰变的影响

通过采用时间分辨荧光光谱技术测量了一种卟啉侧链聚合物薄膜:卟啉丙烯酸酯-苯乙烯共聚物poly[porphyrin acrylate-styrene] (P[(por)A-S])在高激发密度下的瞬态荧光特性.实验发现,P[(por)A-S]样品的荧光衰减随聚合物分子浓度的增大而加快.利用Frster机制的双分子猝灭理论对其浓度猝灭的原因进行了分析,理论结果与实验结果符合较好.研究表明,在高激发密度的情况下,Frster机制的双分子作用是加快卟啉侧链聚合物初始荧光衰减和降低其发光效率的主要因素.     

不同气氛下SiOx纳米线的制备及形貌、红外、光致发光研究

以N2/H2、N2或NH3为载气,利用碳辅助化学气相沉积法,常压1140℃下在石英衬底上制备了大量直径为20-300 nm,长数百微米的非晶SiOx纳米线.制备得到的纳米线具有高度定向生长的特性.利用透射电子显微镜、扫描电子显微镜及电子能谱对SiOx纳米线的形貌及组分进行了分析,Si与O原子之比为1∶1.8.傅里叶红外吸收谱显示了非晶氧化硅的三个特征峰(482,806和1095 cm-1)及1132 cm-1无序氧化硅结构的强吸收峰.SiOx纳米线光致发光光谱(PL)在440 nm(2.83 eV)处具有较强的荧光峰;N2为载气生长的SiOx纳米线的PL峰强比NH3为载气生长的SiOx纳米线峰强大四个数量级.