Inelastic x-ray scattering study of exciton properties in an organic molecular crystal

Excitons in a complex organic molecular crystal were studied by inelastic x-ray scattering (IXS) for the first time. The dynamic dielectric response function is measured over a large momentum transfer region, from which an exciton dispersion of 130 meV is observed. Semiempirical quantum chemical calculations reproduce well the momentum dependence of the measured dynamic dielectric responses, and thus unambiguously indicate that the lowest Frenkel exciton is confined within a fraction of the complex molecule. Our results demonstrate that IXS is a powerful tool for studying excitons in complex organic molecular systems. Besides the energy position, the IXS spectra provide a stringent test on the validity of the theoretically calculated exciton wave functions.     

Rapid determination of radon progeny concentration based on artificial neural networks

Journal of Radioanalytical and Nuclear Chemistry - The rapid measurement of radon progeny concentration is of great significance for improving the efficiency of radon exposure dose evaluation in a...     

顶管机自动导向水平角测量系统研究

设计了一套基于激光准直技术的顶管机自动导向水平角测量系统。系统具有两套光靶激光测量装置。利用具有漫反射特性的标靶接收准直激光,标靶图像经CCD相机采集后处理得到标靶上的光点位置,根据光点位置的变化可计算得出顶管机机头偏转的角度信息。研究了图像处理算法和角度计算算法,并搭建了实验测试系统。实验结果表明,在100m的测量距离内,系统水平角测量范围可达到±1°,测量精度为0.01°,可以满足顶管机地下施工水平方位角的测量要求。     

高温高压下Zr2AlC的结构及热学性质的第一性原理

利用密度泛函理论研究了高温高压下Zr₂AlC的结构和热力学性质,计算得到Zr₂AlC的晶格参数与实验值符合较好．研究了Zr₂AlC的弹性常数、体模量、剪切模量和杨氏模量等力学性质随压力变化的趋势．同时研究了维氏硬度随压力的变化趋势．通过计算得到的杨氏模量预测了Zr₂AlC的弹性各向异性．最后,基于准简谐德拜模型,成功预测了Zr₂AlC的德拜温度、热容、热膨胀系数和Grüneisen参数随着压强和温度的变化关系.     

Uncertain multiobjective traveling salesman problem

Traveling salesman problem is a fundamental combinatorial optimization model studied in the operations research community for nearly half a century, yet there is surprisingly little literature that addresses uncertainty and multiple objectives in it. A novel TSP variation, called uncertain multiobjective TSP (UMTSP) with uncertain variables on the arc, is proposed in this paper on the basis of uncertainty theory, and a new solution approach named uncertain approach is applied to obtain Pareto efficient route in UMTSP. Considering the uncertain and combinatorial nature of UMTSP, a new ABC algorithm inserted with reverse operator, crossover operator and mutation operator is designed to this problem, which outperforms other algorithms through the performance comparison on three benchmark TSPs. Finally, a new benchmark UMTSP case study is presented to illustrate the construction and solution of UMTSP, which shows that the optimal route in deterministic TSP can be a poor route in UMTSP.     

Phase transitions in a holographic s $$$$ p model with back-reaction

In a previous paper (Nie et al. in JHEP 1311:087, arXiv:1309.2204 [hep-th], 2013), we presented a holographic s \(+\) p superconductor model with a scalar triplet charged under an SU(2) gauge field in the bulk. We also study the competition and coexistence of the s-wave and p-wave orders in the probe limit. In this work we continue to study the model by considering the full back-reaction. The model shows a rich phase structure and various condensate behaviors such as the “n-type” and “u-type” ones, which are also known as reentrant phase transitions in condensed matter physics. The phase transitions to the p-wave phase or s \(+\) p coexisting phase become first order in strong back-reaction cases. In these first order phase transitions, the free energy curve always forms a swallow tail shape, in which the unstable s \(+\) p solution can also play an important role. The phase diagrams of this model are given in terms of the dimension of the scalar order and the temperature in the cases of eight different values of the back-reaction parameter, which show that the region for the s \(+\) p coexisting phase is enlarged with a small or medium back-reaction parameter but is reduced in the strong back-reaction cases.     

First-principles calculation of structural stability,lattice dynamic and thermodynamic properties of BeX (X = S,Se and Te) compounds under high pressure

The phase transitions, lattice dynamical and thermodynamic properties of BeS, BsSe and BeTe at high pressure have been investigated with the density functional theory. The calculated equilibrium structural parameters agree well with the available experimental and theoretical values. The phase transition pressures from the zinc-blende (ZB) to the nickel arsenide (NiAs) phase of these compounds are determined. The calculated phonon dispersion curves of these compounds in ZB phase at zero pressure do not show any anomaly or instability. Dynamically, the ZB phase of BeS, BeSe and BeTe is found to be stable near transition pressures P_T. Within the quasiharmonic approximation, the thermodynamic properties including the thermal expansion coefficient, heat capacity at constant volume, heat capacity at constant pressure and entropy are predicted.     

关于“对物理教材中两个概念的讨论”中“加减平衡力系”的商榷

文章讨论了"对物理教材中两个概念的讨论"一文的"加减平衡力系"的不当之处,其根本原因在于弹簧是变形体,而"加减平衡力系"的公理只适应于刚体.使用了一个弹簧振子的例子进行佐证.目前的教学只强调解题速度,为了提高速度而占用了大量的学习资源,导致学生无暇理解科学的本质和科学的美.建议当代教学应强调通用解法和基本思路.     

Two Hexa-Ni-Substituted AsW9O34 Clusters Functionalized by Organic Ligands

Hydrothermal reactions of trilacunary precursor A-α-AsW₉O₃₄ ^9? polyoxoanions and nickel ions in the presence of ethylenediamine (en = ethylenediamine) led to two new hexa-Ni-substituted Keggin-type tungstoarsenates [Ni₆(μ ₃-OH)₃(en)₃(H₂O)₆(B-α-AsW₉O₃₄)]·6H₂O (1) and [Ni₆(μ ₃-OH)₃(en)₃(H₂O)₆(B-α-AsW₉O₃₄)]·10H₂O (2), which have been characterized by elemental analyses, IR spectra, powder X-ray diffraction, thermogravimetric analyses and single-crystal X-ray diffraction. Crystal data for 1: hexagonal, R3c, a = b = 20.4379(5) Å, c = 21.5062(6) Å, β = 120º, V = 7779.8 (3) Å³ and Z = 6; for 2: momoclinic, P2₁/c, a = 13.4200(3) Å, b = 19.1428(5) Å, c = 22.8845(9) Å, β = 112.403(3)º, V = 5435.2(3) Å³ and Z = 4. Structural analyses reveal that the [Ni₆(μ ₃-OH)₃(B-α-AsW₉O₃₄)] clusters in 1 and 2 are covalently functionalized by neutral en ligands, in which two similar {Ni₆(μ ₃-OH)₃(en)₃(H₂O)₆}⁹⁺ cores have been observed by our lab. Notably, 1 and 2 represent the highest number of substituted transition metal ions in all known lacunary Keggin-type polyoxotungstoarsenate monomers.