DFT Studies on Thermal Stabilities,Electronic Structures,and ~（13）C Chemical Shifts of C_（24）O_2 Based on Fullerene C_（24）（D_6）

Quantum chemical calculations on some possible equilibrium geometries of C24O2 isomers derived from C24 (D6) and C24O have been performed using density functional theory (DFT) method. The geometric and electronic structures as well as the relative energies and thermal stabilities of various C24O2 isomers at the ground state have been calculated at the B3LYP/6-31G(d) level of theory. And the 1,4,2,5-C24O2 isomer was found to be the most stable geometry where two oxygen atoms were added to the longest carbon-carbon bonds in the same pentagon from a thermodynamic point of view. Based on the optimized neutral geometries, the vertical ionization potential and vertical electron affinity have been obtained. Meanwhile, the vibrational frequencies, IR spectrum, and 13C chemical shifts of various C24O2 isomers have been calculated and analyzed.     

两种非对称芳基二噻吩并[2,3-b:3',2'-d]噻吩的合成与光谱特性

合成了两种非对称芳基取代的并三噻吩化合物.以2-溴-5-三甲基硅-二噻吩并[2,3-b:3',2'-d]噻吩为原料,经脱除四甲基硅烷(TMS)和Suzuki偶联两步反应制备了2-噻吩基二噻吩并[2,3-b:3',2'-d]噻吩,总产率为67.4%;以2-苯基二噻吩并[2,3-b:3',2'-d]噻吩为原料,经N-溴代琥...     

Camassa-Holm方程的拟周期解及其渐近行为

近20年来,浅水波模型Camassa-Holm（CH）方程受到诸多研究者关注。在之前的工作中,通过Hirota双线性方法得到了CH方程的单周期解.基于此,该文将对N=2时CH方程的拟周期解及其渐近行为进行研究.首先,回顾了坐标变换,扩展的双线性形式和Riemann(黎曼)θ-函数等内容,并在此基础上利用Hirota双线性方法构造了在N=2时CH方程的含有多个参数的拟周期解,并且此拟周期解是由Riemannθ-函数表示的。其次,发现了此拟周期解渐近行为的一个特点,即CH方程的此拟周期解可以退化为其二孤子解.     

基于杯芳烃和紫精的电刺激响应二元水凝胶

基于上缘四脯氨酸修饰杯[4]芳烃和各种紫精客体分子的相互作用, 我们构筑了一类新型的二元超分子水凝胶. 得到结果显示, 在酸性条件下, 溴化紫精盐最易于促进四脯氨酸修饰杯[4]芳烃形成水凝胶. 并且经落球法测定了所制备水凝胶的凝胶-溶胶转变温度, 采用原子力显微镜和扫描电子显微镜表征了水凝胶的微观形态, 发现紫精的侧链对水凝胶性质具有显著影响, 包括凝胶-溶胶转变温度和微观形态. 值得注意的是, 该类水凝胶不仅具有优良的电刺激响应性, 而且能够通过化学、pH和热等多种因素进行调控.     

改进的微分变换法对不连续冲击波的求解

提出了一种改进的微分变换法,将Padé逼近法与标准微分变换法结合,这种改进的微分变换法主要应用于对冲击波的分析处理方面,能够改善级数的收敛性,并且给出收敛的渐进级数解,甚至精确解,从而为求解强非线性间断问题提供了一种有效的解析方法．     

基于MoO_3/Au/MoO_3透明电极的有机太阳能电池

以透明导电薄膜Mo O3/Au/Mo O3代替铟锡氧化物(ITO)作为有机太阳能电池(OSCs)的阳极,研究了一系列结构为Mo O3/Au/Mo O3的透明电极和Mo O3(y nm)/Au(x nm)/Mo O3(y nm)/Cu Pc(25 nm)/C60(40nm)/BCP(8 nm)/Al(100 nm)的有机太阳能电池。研究表明,Mo O3/Au/Mo O3电极的光电特性可通过改变各层薄膜厚度加以调控,在Mo O3薄膜厚度为40 nm、Au薄膜厚度为10 nm时性能最优,且以该薄膜为电极的有机太阳能电池器件的性能接近于电极为ITO的有机太阳能电池器件。     

Quasi-periodic solutions and asymptotic properties for the nonlocal Boussinesq equation

We construct the Hirota bilinear form of the nonlocal Boussinesq(nlBq) equation with four arbitrary constants for the first time. It is special because one arbitrary constant appears with a bilinear operator together in a product form. A straightforward method is presented to construct quasiperiodic wave solutions of the nl Bq equation in terms of Riemann theta functions. Due to the specific dispersion relation of the nl Bq equation, relations among the characteristic parameters are nonlinear, then the linear method does not work for them. We adopt the perturbation method to solve the nonlinear relations among parameters in the form of series. In fact, the coefficients of the governing equations are also in series form.The quasiperiodic wave solutions and soliton solutions are given. The relations between the periodic wave solutions and the soliton solutions have also been established and the asymptotic behaviors of the quasiperiodic waves are analyzed by a limiting procedure.     

Lateral distribution of EAS muons measured for the primary cosmic ray energy around 100 TeV

The muonic component of the extensive air showers (EAS) is of great importance for the astroparticle physics. It carries the information about the properties of primary cosmic ray (CR) particles, such as their mass, and electromagnetic and hadronic nature. It provides a sensitive test for the hadronic interaction models, which are inevitable for describing the cascade shower development of cosmic rays in EAS experiments. The YangBaJing Hybrid Array (YBJ-HA) experiment has been in operation since the end of 2016. Surface detectors are used for the measurements of primary energy, angular direction and core position of a shower event, while underground muon detectors are used for measuring the density of muons at various locations. Using the data obtained by the YBJ-HA experiment,this work reports the first measurement of the lateral muon distribution for the primary cosmic ray energy in the 100TeV region. The punch-through effect is evaluated via MC simulation.     

扑翼尾迹中细丝的柔性对气动效能的影响

柔性对生物的运动起着至关重要的作用,例如鸟类的飞行和鱼类的游动.对柔性的研究有利于深刻地认识一些动物的运动机制和制造高效推进的仿生机器.文章在侧向自由弹性细丝的模型基础上,对不同柔性细丝的气动效能进行了研究.数值模拟结果表明,在Kárman涡街中,细丝的阻力系数随着其柔性减小而减小,细丝尾端的振幅随着其柔性减小而增大.结果还表明,在一定范围的Reynolds数下,减小细丝柔性,细丝由在涡核之间穿梭摆动运动模式变成在涡街外侧摆动运动模式,其尾涡的对称性也发生了明显的变化.      

1/N展开技术与sdg IBM的非SU(3)内禀态

本文利用1/N展开技术,讨论了sdg相互作用玻色子模型中由玻色子能量引起的SU(3)对称性破缺,给出了1/N近似下内禀态的解析表达式.本文还表明,相互作用玻色子体系的多体方法(Hartree-Bose方法、Tamm-Dancoff近似以及Cranked Hartree近似)均系1/N展开技术在特定情形下的近似.