Comparison study of exchange-correlation functionals on prediction of ground states and structural properties

Despite significant advances in first-principles calculation methods, there is no single exchange-correlation functional which predicts the ground state of materials without an error yet. We investigated how accurately ground states of binary semiconductors are described using 16 exchange-correlation functionals (with or without van der Waals corrections). LDA, PBEsol, SCAN (with or without rVV10 correction), and PBE with D3 van der Waals correction (zero or Becke-Johnson damping) show good predicting power. The lattice constants of stable phases were slightly better described by SCAN, PBEsol, PBE+D3 (Becke-Johnson damping), and MS2. We also propose a set of functionals to double-check the stability of new materials based on the majority vote.     

Scaling properties of fracture surfaces on glass strengthened by ionic exchange

In this work the results of the statistical topometric analysis of fracture surfaces of soda-lime-silica glass with and without ionic exchange treatment are reported. In this case, the mechanism of substitution is K⁺-Na⁺. atomic force microscopy (AFM) was employed to record the topometric data from the fracture surface. The roughness exponent (ζ) and the correlation length (ξ) were calculated by the variable bandwidth method. The analysis for both glasses (subjected and non-subjected to ionic exchange) for ζ shows a value ∼0.8, this value agrees well with that reported in the literature for rapid crack propagation in a variety of materials. The correlation length shows different values for each condition. These results, along with those of microhardness indentations suggest that the self-affine correlation length is influenced by the complex interactions of the stress field of microcracks with that resulting from the collective behavior of the point defects introduced by the strengthening mechanism of ionic exchange.     

Sensitivity analysis of thermal performances of flat plate solar air heaters

Sensitivity analysis is a mathematical tool, first developed for optimization methods, which aim is to characterize a system response through the variations of its output parameters following modifications imposed on the input parameters of the system. Such an analysis may quickly become laborious when the thermal model under consideration is complex or the number of input parameters is high. In this paper, we develop a mathematical model to analyse the heat exchanges in four different types of solar air collectors. When building this thermal model we show that for each collector, at quasi-steady state, the energy balance equations of the components of the collector cascade into a single first-order non-linear differential equation that is able to predict the thermal behaviour of the collector. Our heat transfer model clearly demonstrates the existence of an important dimensionless parameter, referred to as the thermal performance factor of the collector, that compares the useful thermal energy which can be extracted from the heater to the overall thermal losses of that collector for a given set of input parameters. A sensitivity analysis of our thermal model has been performed for the most significant input parameters such as the incident solar irradiation, the inlet fluid temperature, the air mass flow rate, the depth of the fluid channel, the number and nature of the transparent covers in order to measure the impact of each of these parameters on our model. An important result which can be drawn from this study is that the heat transfer model developed is robust enough to be used for thermal design studies of most known flat plate solar air heaters, but also of flat plate solar water collectors and linear solar concentrators.     

(Anti-)de Sitter Black Hole Entropy and Generalized Uncertainty Principle

We generalize the method that is used to study corrections to Cardy-Verlinde formula due to generalized uncertainty principle and discuss corrections to Cardy-Verlinde formula due to generalized uncertainty principle in (anti)-de Sitter space. Because in de Sitter black hole spacetime the radiation temperature of the black hole horizon is different from the one of the cosmological horizon, this spacetime is a thermodynamical non-equilibrium spacetime.     

图有分数因子的度条件

本文研究了图有分数因子的度条件,得到了下面的结果：令k(?)1是一个整数,G是一个连通的n阶图,n(?)4k-3且最小度δ(G)(?)k,若对于每一对不相邻的顶点u,v∈V(G)都有max{d_G(u),d_G(v)}(?)n/2,则G有分数k-因子．并指出该结果在一定意义上是最好可能的。     

Au-Au2S复合纳米球壳微粒的空腔谐振及参量讨论

Au-Au2S复合纳米球壳微粒（金纳米球壳），是一种新型复合结构的纳米微粒，其结构为纳米级的Au2S介质球外包裹了一层几个纳米厚的黄金球壳。这种复合纳米球壳微粒可以被抽象为球型谐振腔。报道了它的空腔谐振吸收的实验结果，并且运用经典理论结合介观结构特征，讨论了有关Au-Au2S复合纳米球壳微粒空腔谐振吸收的一些重要参量，其中包括谐振吸收波长、品质因数、谐振能量等。另外，还讨论了金球壳的厚度对这些重要参量的影响。     

非傍轴平顶高斯光束M2因子两种定义的比较研究

基于功率密度的二阶矩方法,推导出了非傍轴平顶高斯(FG)光束束宽和远场发散角的解析表达式·研究表明,当w0/λ→0时,远场发散角趋于渐近值θmax=63.435°,与阶数无关·使用非傍轴高斯光束代替傍轴高斯光束作为理想光束,研究了非傍轴FG光束的M2因子,并与传统定义的M2因子作了比较·在非傍轴范畴,非傍轴FG光束的M2因子不仅与阶数N有关,而且与w0/λ有关·按照定义,当w0/λ→0时,非傍轴FG光束的M2因子不等于0,对阶数N=1,2,3时,M2因子分别趋于0.913,0.882和0.886·当N→∞时,M2因子取最小值M2min=0.816·     

非傍轴平顶高斯光束M2因子两种定义的比较研究

基于功率密度的二阶矩方法，推导出了非傍轴平顶高斯(FG)光束束宽和远场发散角的解析表达式.研究表明，当w0/λ→0时，远场发散角趋于渐近值θmax=63.435°，与阶数无关.使用非傍轴高斯光束代替傍轴高斯光束作为理想光束，研究了非傍轴FG光束的M2因子，并与传统定义的M2因子作了比较.在非傍轴范畴，非傍轴FG光束的M2因子不仅与阶数N有关，而且与w0/λ有关.按照定义，当w0/λ→0时，非傍轴FG光束的M2因子不等于0，对阶数N=1, 2, 3时，M2因子分别趋于0.913,0.882和0.886.当N→∞时，M2因子取最小值M2min=0.816.     

加权二次有理Bézier插值曲线

在本文中,给定一组有序空间数据点列及每个数据点的切矢向量,利用加权二次有理Bézier曲线对数据点作插值曲线,使该曲线具有C1连续性,并且权因子只是对相应顶点曲线附近产生影响,同调整两个相邻的权因子可以调整这两个相邻顶点之间的曲线和它的控制多边形.     

相对论重离子碰撞实验中混合事件方法的研究

把RQMD(Relativistic Quantum Molecular Dynamics)产生器产生的数据输入作为原始事例取样,讨论了在比较复杂的背景情况下,一种新的混合事件方法,用以证实在相对论重离子碰撞实验中高能量激发共振态的存在.并以共振态重子Δ⁺⁺为例演示了这一方法的应用.