LiBr溶液从低浓度到高浓度的分子动力学模拟

在 L i Br与水的物质量比分别为 1∶ 64、1∶ 32、1∶ 16、1∶ 8、1∶ 4和 1∶ 3的情况下 ,对 L i Br溶液从低温到高温的分子动力学模拟进行了研究。随浓度增加 ,锂离子的水合数量呈减少趋势但同时又从 L i+- Br-接触离子对的数量增加中得到补偿 ,而 L i离子的第一配位壳层的配位数量保持不变。在高浓度 Li Br溶液中 ,Br- O之间的距离有所增加 ,Br-- O的径向分布的形状更趋于非对称 ,从而很好地确定了 Br离子水合壳层 L i+- Br-接触离子对可以在更稀的溶液中产生 ,但随浓度增加而增加。L i+- Br-距离明显短于溶液中 Li离子与 Br离子的离子半径之和 ,也短于 L i Br晶体中两者离子半径之和。高浓度溶液中水分子的结构几乎被破坏 ,水分子间的氢键明显增加 ,但没有消失。对 L i+、Br-和水的扩数系数计算值与实验值进行了比较     

辐射井在强透水弱调节含水层地下水开采中的应用

本文通过在强透水弱调节含水层研究区建立了地下水流数模型、并在研究区域进行数值模拟计算的基础上,分析了不同取水构筑物的取水效果.得出了强透水弱调节含水层地下水采用辐射井开采的优越性和辐射井的设计参数,总结出辐射井是开采强透水弱调节含水层较为合理的取水构筑物.     

Numerical study of the 3D failure envelope of a single pile in sand

The paper presents a comprehensive study of the failure envelope (or capacity diagram) of a single elastic pile in sand. The behavior of a pile subjected to different load combinations is simulated using a large number of finite element numerical calculations. The sand is modeled using a constitutive law based on hypoplasticity. In order to find the failure envelope in the three-dimensional space (i.e. horizontal force H, bending moment M and vertical force V), the radial displacement method and swipe tests are numerically performed. It is found that with increasing vertical load the horizontal bearing capacity of the pile decreases. Furthermore, the presence of bending moment on the pile head significantly influences the horizontal bearing capacity and the capacity diagram in the H–M plane manifests an inclined elliptical shape. An analytical equation providing good agreement with the 3D numerical results is finally proposed. The formula is useful for design purposes and the development of simplified modeling numerical strategies such as macro-element.     

Robust and reliable metamodels for mechanized tunnel simulations

The main objective of this paper is to construct a robust and reliable metamodel for the mechanized tunnel simulation in computationally expensive applications. To accomplish this, four metamodeling approaches have been implemented and their performance has been systematically evaluated through a comparative study utilizing pure mathematical test functions. These metamodels are quadratic polynomial regression, moving least squares, proper orthogonal decomposition with radial basis functions, and an extended version of the latest approach. This extended version has been proposed by the authors and named proper orthogonal decomposition with extended radial basis functions. After that, a system identification study for mechanized tunneling has been conducted through the back analysis of synthetic measurements. In this study, the best performing metamodel, that is the one suggested by the authors, has been employed to surrogate a complex and computationally expensive 3D finite element simulation of the mechanized tunnel. The obtained results demonstrate that the proposed metamodel can reliably replace the finite element simulation model and drastically reduce the expensive computation time of the back analysis subroutine.     

基于ERSM涡轮盘径向变形的非线性动态概率分析

为了准确设计高压涡轮盘和叶尖间隙,从概率的角度进行了涡轮盘径向变形的分析。介绍了高精度高效率的非线性动态概率分析的极值响应面方法(Extremum Response Surface Method, ERSM),并建立了其数学模型。考虑材料属性和边界条件的非线性,以及热载荷和离心载荷的动态性,基于ERSM对涡轮盘径向变形进行了非线性动态概率分析,得到了输入输出参数的分布特征和影响涡轮盘径向动态变形的主要因素。最后,通过方法比较,验证了ERSM在保证计算精度的前提下能大大提高计算速度,节约计算时间,改善计算效率。为进行更有效的涡轮盘设计和优化,改善叶尖间隙设计和控制的合理性提供了有效依据。      

EOF analysis of a time series with application to tsunami detection

Fragments of deep-ocean tidal records up to 3 days long belong to the same functional sub-space, regardless of the record’s origin. The tidal sub-space basis can be derived via Empirical Orthogonal Function (EOF) analysis of a tidal record of a single buoy. Decomposition of a tsunami buoy record in a functional space of tidal EOFs presents an efficient tool for a short-term tidal forecast, as well as for an accurate tidal removal needed for early tsunami detection and quantification [Tolkova, E., 2009. Principal component analysis of tsunami buoy record: tide prediction and removal. Dyn. Atmos. Oceans 46 (1–4), 62–82] EOF analysis of a time series, however, assumes that the time series represents a stationary (in the weak sense) process. In the present work, a modification of one-dimensional EOF formalism not restricted to stationary processes is introduced. With this modification, the EOF-based de-tiding/forecasting technique can be interpreted in terms of a signal passage through a filter bank, which is unique for the sub-space spanned by the EOFs. This interpretation helps to identify a harmonic content of a continuous process whose fragments are decomposed by given EOFs. In particular, seven EOFs and a constant function are proved to decompose 1-day-long tidal fragments at any location. Filtering by projection into a reduced sub-space of the above EOFs is capable of isolating a tsunami wave within a few millimeter accuracy from the first minutes of the tsunami appearance on a tsunami buoy record, and is reliable in the presence of data gaps. EOFs with ∼$\sim$3-day duration (a reciprocal of either tidal band width) allow short-term (24.75 h in advance) tidal predictions using the inherent structure of a tidal signal. The predictions do not require any a priori knowledge of tidal processes at a particular location, except for recent 49.5 h long recordings at the location.     

Gap Filling and Quality Assessment of CO2 and Water Vapour Fluxes above an Urban Area with Radial Basis Function Neural Networks

Vertical turbulent fluxes of water vapour, carbon dioxide, and sensible heat were measured from 16 August to the 28 September 2006 near the city centre of Münster in north-west Germany. In comparison to results of measurements above homogeneous ecosystem sites, the CO₂ fluxes above the urban investigation area showed more peaks and higher variances during the course of a day, probably caused by traffic and other varying, anthropogenic sources. The main goal of this study is the introduction and establishment of a new gap filling procedure using radial basis function (RBF) neural networks, which is also applicable under complex environmental conditions. We applied adapted RBF neural networks within a combined modular expert system of neural networks as an innovative approach to fill data gaps in micrometeorological flux time series. We found that RBF networks are superior to multi-layer perceptron (MLP) neural networks in the reproduction of the highly variable turbulent fluxes. In addition, we enhanced the methodology in the field of quality assessment for eddy covariance data. An RBF neural network mapping system was used to identify conditions of a turbulence regime that allows reliable quantification of turbulent fluxes through finding an acceptable minimum of the friction velocity. For the data analysed in this study, the minimum acceptable friction velocity was found to be 0.15 m s⁻¹. The obtained CO₂ fluxes, measured on a tower at 65 m a.g.l., reached average values of 12 μmol m⁻² s⁻¹ and fell to nighttime minimum values of 3 μmol m ⁻² s⁻¹. Mean daily CO₂ emissions of 21 g CO₂ m⁻²d ⁻¹ were obtained during our 6-week experiment. Hence, the city centre of Münster appeared to be a significant source of CO₂. The half-hourly average values of water vapour fluxes ranged between 0.062 and 0.989 mmol m⁻² s⁻¹and showed lower variances than the simultaneously measured fluxes of CO₂.     

准线形对流系统中强度—速度负相关性的特征研究

准线形对流系统(如飑线、弓形回波)是常见的强对流性系统,伴随它出现的一般是大风、旋风甚至冰雹等严重的灾害性天气现象.弓形回波有的是由一个单体产生的,也有嵌套在飑线或其他线形系统中,作为整个线形回波的一个部分.弓形回波能在很长的带上产生灾害性的直线风.在我们的研究中发现,准线形对流系统中,反射率因子(R)和径向速度(V)之间存在一定的负相关性,对发生在中国东部地区(24.5°-34.29°N,116.01°-119.52°E)的16个个例进行统计分析,发现在这些系统中都存在这种R-V负相关的特征,负相关的程度随高度有规律性的变化.通过对2006年6月29日个例的风场分析证实这种特征确实存在.对流系统与雷达射线方向接近垂直时,R-V负相关特征明显,这是因为该方向上,观测到的径向速度近乎等于实际风速,数值最大;而因垂直运动造成的水平风速减小并不因探测位置的不同而有很大变化.文中通过分析,推断R-V的这种负相关性与准线形系统中对流的强弱、中层径向辐合的强弱以及后向入流都有很大的关系.     

Dependence of the Characteristics of Solar Wind Discontinuities and Shocks with Heliolatitude and Radial Distance

The distribution of the shocks in the heliosphere and their characteristic variations are investigated using Ulysses observations. The jumps in solar wind velocity, IMF magnitude, and proton density across the shocks and discontinuities are evaluated and used to characterize them. The distribution of these discontinuities with respect to heliolatitude ± 80° and with radial distance 1 to 5 AU are analyzed during solar minimum and solar maximum to understand their global behavior. It is noticed that the jumps in solar wind parameters associated with shocks and discontinuities are more prominent during the second orbit of Ulysses, which coincided with the maximum phase of solar activity.