Aggregation Behaviour of Cationic Diblock Copolymer （MTAC）10（BA）16： MesoDyn Simulation Study

The aggregation behaviour of an amphiphilic cationic block copolymer （MTAC）10（BA）16 in aqueous solution is investigated by MesoDyn simulation. Simulation results show that （MTAC）10 （BA）16 can form spherical, irregular and network aggregates with the increasing volume fraction. The time evolution of order parameter shows that the process of aggregate formation can be divided into diffusion control stage and hydrophobic interaction control stage, while the time evolution of energy indicates that the aggregate formation is driven by enthalpy but not entropy. The order parameter of the hydrophobic blocks BA increases with the increasing （MTAC）10（BA）16 concentration, while the time needed for system balance has the contrary trend.     

Experimental Study on Electrostatic with Two Guiding of Supersonic D20 Molecular Beam Charged Wires

We demonstrate the guiding of a supersonic heavy-water （D2O） molecular beam using a hollow electrostatic field generated by the combination of two parallel charged-wires and two grounded metal-plates, and report some new and preliminary experimental results. In the experiment, we detect the guiding signals by using the method of time-of-flight mass spectrum and study the dependence of the relative transmission of the beam guide on the guiding voltage. Our study shows that the relative transmission of the beam guide is increased linearly with increasing guiding voltage Vguid, and the number of the guided D20 molecules is at least increased by 89.4% when the guiding voltage is ＋20.0k V. Finally, some potential applications of our guiding scheme in the molecule optics are briefly discussed.     

Elastic Modulus and Hardness of Cr-Nb Nano-Multilayers

Cr-Nb nano-multilayered films with various modulation wavelengths A are prepared by e-gun evaporation and their mechanical properties are investigated. Cr and Nb both have bcc structures with large differences in lattice constants and Young＇s modulus, which are supposed to favour modulus enhancement. Nevertheless, nano-indention measurements show no enhancement for the modulus and a slight decrease for the hardness with decreasing A down to 5 nm. This is mainly due to counter-contribution to modulus from adjacent layers subjected to reverse strains, in agreement with recent theoretical study, while the decrease of hardness arises from grain boundary sliding. Interestingly, at A = 3 nm, the hardness of the film has an increase of 44% relative to the value of a rule of mixture, owing to the emergence of a new phase for reconciling the structure difference at the interfaces.     

Theoretical Investigation of Femtosecond-Resolved Photoelectron Spectrum of Na2 Molecules

Effect of laser fields on Na2 interaction potentials is studied by calculating the time-resolved photoelectron spectrum （TRPES） with the time-dependent wave-packet method. It is shown that the photoelectron spectrum at different delay times reflects the population in different electronic states. We inspect the periodicity of vibrational motion in neutral states, and map the vibrational wave-packet propagation in corresponding internuclear coordinate.     

The classification and analysis of dynamic networks

In this paper we, firstly, classify the complex networks in which the nodes are of the lifetime distribution. Secondly, in order to study complex networks in terms of queuing system and homogeneous Markov chain, we establish the relation between the complex networks and queuing system, providing a new way of studying complex networks. Thirdly, we prove that there exist stationary degree distributions of M--G--P network, and obtain the analytic expression of the distribution by means of Markov chain theory. We also obtain the average path length and clustering coefficient of the network. The results show that M--G--P network is not only scale-free but also of a small-world feature in proper conditions.     

Studies on heteronuclear diatomic molecular dissociation energies using algebraic energy method

The algebraic energy method (AEM) is applied to the study of molecular dissociation energy $D_e$ for 11 heteronuclear diatomic electronic states: $a^3\Sigma^+$ state of NaK, $X^2\Sigma^+$ state of XeBr, $X^2\Sigma^+$ state of HgI, $X^1\Sigma^+$ state of LiH, $A^3\Pi(1)$ state of ICl, $X^1\Sigma^+$ state of CsH, $A(^3\Pi_1)$ and $B0^+(^3\Pi)$ states of ClF, $2^1\Pi$ state of KRb, $X^1\Sigma^+$ state of CO, and $c^3\Sigma^+$ state of NaK molecule. The results show that the values of $D_e$ computed by using the AEM are satisfactorily accurate compared with experimental ones. The AEM can serve as an economic and useful tool to generate a reliable $D_e$ within an allowed experimental error for the electronic states whose molecular dissociation energies are unavailable from the existing literature.     

Quasispecies distribution of Eigen model

We have studied sharp peak landscapes of the Eigen model from a new perspective about how the quasispecies are distributed in the sequence space. To analyse the distribution more carefully, we bring in two tools. One tool is the variance of Hamming distance of the sequences at a given generation. It not only offers us a different avenue for accurately locating the error threshold and illustrates how the configuration of the distribution varies with copying fidelity $q$ in the sequence space, but also divides the copying fidelity into three distinct regimes. The other tool is the similarity network of a certain Hamming distance $d_{0}$, by which we can gain a visual and in-depth result about how the sequences are distributed. We find that there are several local similarity optima around the centre (global similarity optimum) in the distribution of the sequences reproduced near the threshold. Furthermore, it is interesting that the distribution of clustering coefficient $C(k)$ follows lognormal distribution and the curve of clustering coefficient $C$ of the network versus $d_{0}$ appears to be linear near the threshold.     

4 ,4′-二巯基二苯醚分子的电子输运性质研究

利用从头算方法和弹性散射格林函数理论,研究了4 ,4′-二巯基二苯醚分子的电输运性质.计算表明,当外加偏压少于0 .9 V时,该分子器件不导电.当外加偏压进一步增加时,该分子器件的电导呈现出平台特征.由于中间氧原子的存在,相对于4 ,4′-二巯基联苯分子来说,该分子的导电特性较差.     

近化学计量比Ce∶Mn∶LiNbO3晶体光折变性能研究

在LiNbO3中掺进0.015mass%MnCO3和 0.1mass%CeO2,以Czchralski法生长Li/Nb比为1.38的近化学计量比Ce∶Mn∶LiNbO3(Ce∶Mn∶SLN)晶体和Li/Nb比为0.946的同成分Ce∶Mn∶LiNbO3(Ce∶Mn∶CLN)晶体.测试了晶体的红外光谱和紫外可见吸收光谱,讨论了Ce∶Mn∶SLN晶体OH－吸收峰和吸收边移动机理.利用二波耦合光路测试了晶体的指数增益系数,Ce∶Mn∶SLN晶体指数增益系数Γ达到27 cm2－.同时,研究了Ce∶Mn∶SLN指数增益系数提高的机理.     

光束质量对闪烁和流速测量的影响分析

给出了用发光二极管测量闪烁和流速光源远场理想特性的表达式.波前扭曲可以分解成波前倾斜和曲率改变两部分来处理.波前倾斜和离轴接收信号的情况相当,对测量结果影响不大.当波前曲率半径不等于到光源的距离时,对流速和闪烁强度测量都会带来不能忽略的误差,路径加权函数的对称特性也会改变.最后给出的流速测量的实验结果和理论计算是一致的.