超声波燃气表矩形流道的雷诺修正系数仿真研究

在超声波流量计测量技术中, 雷诺修正系数相关的研究对于提高计量精度有重要作用. 为研究矩形流道的雷诺修正系数与雷诺数的关系, 对矩形流道在常温常压流量较小情况下进行仿真, 结果发现: 矩形流道层流状态下的雷诺修正系数与雷诺数呈线性相关. 保持压强、体积流量不变, 在不同温度下进行仿真及拟合, 结果表明: 在不同温度下雷诺修正系数与雷诺数的线性关系依然满足. 在上述实验基础上, 对矩形流道湍流状态下的雷诺修正系数与雷诺数关系进行研究, 通过改变温度、压强和体积流量进行仿真及拟合发现, 矩形流道湍流状态下雷诺修正系数与雷诺数呈非线性相关.     

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.     

System scan of the multiplicity correlation between forward and backward rapidities in relativistic heavy-ion collisions using a multi-phase transport model

A systematic study on forward–backward (FB) multiplicity correlations from large systems to small ones through a multi-phase transport model (AMPT) has been performed and the phenomenon that correlation strength increases with centrality can be explained by taking the distribution of events as the superposition of a series of Gaussian distributions. It is also found that correlations in the \begin{document}$ \eta -\phi $\end{document} plane can imply the shape of the event. Furthermore, long-range correlations originate from the fluctuations associated with the source information. FB correlations allow us to decouple long-range correlations from short-range correlations, and may provide a chance to investigate the α-clustering structure in initial colliding light nuclei as well. It seems the tetrahedron ¹⁶O + ¹⁶O collision gives a more uniform and symmetrical fireball, that emits the final particles more isotropically or independently in the longitudinal direction, indicating that the forward–backward multiplicity correlation could be used to identify the pattern of α-clustered ¹⁶O in future experiments.     

相对性区域创新指数与经济周期挖掘

提出了一类新的相对性区域创新指数,并采用世界专利申请数据对其进行了具体计算.基于区域创新同经济发展水平之间的超线性关系,该指数消除了经济发展水平对创新能力的影响,可以实现对不同发展水平的经济体之间进行有效的创新能力横纵对比.该创新指数尽管极其简单,却揭示出一系列迥异于传统认知的现象,例如中国大陆地区的技术创新能力在1980年代就已经位居世界前列.采用该指数,不但可以在较高水平上解释世界各国的经济增长,还发现它同经济增长率之间的相关性存在一个20年的经济周期.这些结果显示,该指数作为一个单一性指标,以极小的数据依赖就实现了较高程度的解释性,不但重新定位了世界各经济体的创新能力,对深入理解创新同经济发展之间的关系提供了新的角度,而且暗示着这类相对性经济指标的发展潜力与应用空间.     

Experimental and Theoretical Evidence of Spin-Orbit Heavy Atom on the Light Atom 1H NMR Chemical Shifts Induced through H⋅⋅⋅I− Hydrogen Bond

Spin-orbit (SO) heavy-atom on the light-atom (SO-HALA) effect is the largest relativistic effect caused by a heavy atom on its light-atom neighbors, leading, for example, to unexpected NMR chemical shifts of ¹H, ¹³C, and ¹⁵N nuclei. In this study, a combined experimental and theoretical evidence for the SO-HALA effect transmitted through hydrogen bond is presented. Solid-state NMR data for a series of 4-dimethylaminopyridine salts containing I⁻, Br⁻ and Cl⁻ counter ions were obtained experimentally and by theoretical calculations. A comparison of the experimental chemical shifts with those calculated by a standard DFT methodology without the SO contribution to the chemical shifts revealed a remarkable error of the calculated proton chemical shift of a hydrogen atom that is in close contact with the iodide anion. The addition of the relativistic SO correction in the calculations significantly improves overall agreement with the experiment and confirms the propagation of the SO-HALA effect through hydrogen bonds.     

采用组合引导磁场的多注二极管设计

分析了采用单一同轴磁场时强流相对论多注阴极的侧端发射问题,研究了在不同磁场内半径和多注漂移管长度情况下多注电子束的传输效率。研究发现:由于引导磁场尺寸有限,高压下多注阴极杆及多注阴极柱的电子束发射是影响多注电子束传输效率的主要因素,且该部分电子束对多注漂移管入口管壁的轰击直接影响了多注速调管的重频能力。设计了采用永磁铁和同轴磁场组合工作的强流相对论多注二极管,理论分析和模拟计算证明:基于组合磁场的多注二极管可明显减弱甚至抑制多注阴极发射球头以外的电子束发射,并且组合磁场的磁场位形和强度可满足强流相对论多注电子束的高效、稳定传输。     

High‐order ADER‐WENO ALE schemes on unstructured triangular meshes—application of several node solvers to hydrodynamics and magnetohydrodynamics

In this paper, we present a class of high‐order accurate cell‐centered arbitrary Lagrangian–Eulerian (ALE) one‐step ADER weighted essentially non‐oscillatory (WENO) finite volume schemes for the solution of nonlinear hyperbolic conservation laws on two‐dimensional unstructured triangular meshes. High order of accuracy in space is achieved by a WENO reconstruction algorithm, while a local space–time Galerkin predictor allows the schemes to be high order accurate also in time by using an element‐local weak formulation of the governing PDE on moving meshes. The mesh motion can be computed by choosing among three different node solvers, which are for the first time compared with each other in this article: the node velocity may be obtained either (i) as an arithmetic average among the states surrounding the node, as suggested by Cheng and Shu, or (ii) as a solution of multiple one‐dimensional half‐Riemann problems around a vertex, as suggested by Maire, or (iii) by solving approximately a multidimensional Riemann problem around each vertex of the mesh using the genuinely multidimensional Harten–Lax–van Leer Riemann solver recently proposed by Balsara et al. Once the vertex velocity and thus the new node location have been determined by the node solver, the local mesh motion is then constructed by straight edges connecting the vertex positions at the old time level tⁿ with the new ones at the next time level t^{n + 1}. If necessary, a rezoning step can be introduced here to overcome mesh tangling or highly deformed elements. The final ALE finite volume scheme is based directly on a space–time conservation formulation of the governing PDE system, which therefore makes an additional remapping stage unnecessary, as the ALE fluxes already properly take into account the rezoned geometry. In this sense, our scheme falls into the category of direct ALE methods. Furthermore, the geometric conservation law is satisfied by the scheme by construction. We apply the high‐order algorithm presented in this paper to the Euler equations of compressible gas dynamics as well as to the ideal classical and relativistic magnetohydrodynamic equations. We show numerical convergence results up to fifth order of accuracy in space and time together with some classical numerical test problems for each hyperbolic system under consideration. Copyright © 2014 John Wiley & Sons, Ltd.     

Self–gravitating fluid flows with Gowdy symmetry near cosmological singularities

We consider self-gravitating fluids in cosmological spacetimes with Gowdy symmetry on the torus T³ and, in this class, we solve the singular initial value problem for the Einstein–Euler system of general relativity, when an initial data set is prescribed on the hypersurface of singularity. We specify initial conditions for the geometric and matter variables and identify the asymptotic behavior of these variables near the cosmological singularity. Our analysis of this class of nonlinear and singular partial differential equations exhibits a condition on the sound speed, which leads us to the notion of sub-critical, critical, and super-critical regimes. Solutions to the Einstein–Euler systems when the fluid is governed by a linear equation of state are constructed in the first two regimes, while additional difficulties arise in the latter one. All previous studies on inhomogeneous spacetimes concerned vacuum cosmological spacetimes only.     

电感耦合等离子体质谱(ICP-MS)法测定地质样品中Cu和Zn的干扰研究

电感耦合等离子体质谱法（ICP-MS）标准模式测定地质样品中Cu和Zn时,样品溶液中Ti在高温下易形成TiO+和 TiOH+离子产生重叠干扰,使测定值偏离真值而影响测定结果。采用氢氟酸-高氯酸-硝酸消解、王水复溶样品,通过多级在线校正46Ti16O+,消除TiO+和 TiOH+离子重叠干扰,研究了单质Ti与46Ti16O+、质荷比63、64、65、66离子间存在的关系,建立了一种电感耦合等离子体质谱(ICP-MS)法测定地质样品中Cu和Zn的分析方法。实验结果表明：单质Ti对Cu和Zn产生的干扰值与其质量浓度呈非简单的正相关性,TiO+产生的干扰离子质荷比65离子强度比63高,质荷比64离子强度比66 高; 46Ti16O+对质荷比63、66离子干扰增量值与单质Ti质量浓度变化无关;62Ni对46Ti16O+产生同量异位素重叠干扰,测定值须校正来自62Ni的贡献。ICP-MS测定地质样品中Cu和Zn时应选择测量同位素63Cu和66Zn,其检出限（n=7）分别为0.35 μg/g和0.63 μg/g。经有证标准物质验证,测定值与认定值吻合,准确度（RE）<8.6%,精密度（RSD,n=6）<5%。本方法适用于ICP-MS测定地质样品中Cu和Zn的质谱干扰消除,满足地质分析要求。     

Calibration transfer employing univariate correction and robust regression

This paper proposes a new method for calibration transfer, which was specifically designed to work with isolated variables, rather than the full spectrum or spectral windows. For this purpose, a univariate procedure is initially employed to correct the spectral measurements of the secondary instrument, given a set of transfer samples. A robust regression technique is then used to obtain a model with low sensitivity with respect to the univariate correction residuals. The proposed method is employed in two case studies involving near infrared spectrometric determination of specific mass, research octane number and naphthenes in gasoline, and moisture and oil in corn. In both cases, better calibration transfer results were obtained in comparison with piecewise direct standardization (PDS). The proposed method should be of a particular value for use with application-targeted instruments that monitor only a small set of spectral variables.