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     

A spatially and temporally adaptive solution of Richards’ equation

Efficient, robust simulation of groundwater flow in the unsaturated zone remains computationally expensive, especially for problems characterized by sharp fronts in both space and time. Standard approaches that employ uniform spatial and temporal discretizations for the numerical solution of these problems lead to inefficient and expensive simulations. In this work, we solve Richards’ equation using adaptive methods in both space and time. Spatial adaption is based upon a coarse grid solve and a gradient error indicator using a fixed-order approximation. Temporal adaption is accomplished using variable order, variable step size approximations based upon the backward difference formulas up to fifth order. Since the advantages of similar adaptive methods in time are now established, we evaluate our method by comparison with a uniform spatial discretization that is adaptive in time for four different one-dimensional test problems. The numerical results demonstrate that the proposed method provides a robust and efficient alternative to standard approaches for simulating variably saturated flow in one spatial dimension.     

Diffusive wave solutions for open channel flows with uniform and concentrated lateral inflow

The diffusive wave equation with inhomogeneous terms representing hydraulics with uniform or concentrated lateral inflow into a river is theoretically investigated in the current paper. All the solutions have been systematically expressed in a unified form in terms of response function or so called K-function. The integration of K-function obtained by using Laplace transform becomes S-function, which is examined in detail to improve the understanding of flood routing characters. The backwater effects usually resulting in the discharge reductions and water surface elevations upstream due to both the downstream boundary and lateral inflow are analyzed. With a pulse discharge in upstream boundary inflow, downstream boundary outflow and lateral inflow respectively, hydrographs of a channel are routed by using the S-functions. Moreover, the comparisons of hydrographs in infinite, semi-infinite and finite channels are pursued to exhibit the different backwater effects due to a concentrated lateral inflow for various channel types.     

Yielding oscillator subjected to simple pulse waveforms: numerical analysis & closed‐form solutions

Numerical and analytical solutions are presented for the elastic and inelastic response of single‐degree‐of‐freedom yielding oscillators to idealized ground acceleration pulses. These motions are typical of near‐fault earthquake recordings generated by forward rupture directivity and may inflict damage in the absence of substantial structural strength and ductility capacity. Four basic pulse waveforms are examined: (1) triangular; (2) sinusoidal; (3) exponential; and (4) rectangular. In the first part of the article, a numerical study is presented of the effect of oscillator period, strength, damping, post‐yielding stiffness and number of excitation cycles, on inelastic response. Results are presented in the form of dimensionless graphs and regression formulas that elucidate the salient features of the problem. It is shown that conventional R–µ relations may significantly underestimate ductility demand imposed by near‐fault motions. The second part of the article concentrates on elastic‐perfectly plastic oscillators. Closed‐form solutions are derived for post‐yielding response and associated ductility demand. It is shown that all three ground motion histories (i.e. acceleration, velocity, and displacement) control oscillator response—contrary to the widespread view that ground velocity alone is of leading importance. The derived solutions provide insight on the physics of inelastic response, which is often obscured by the complexity of numerical algorithms and actual earthquake motions. The model is evaluated against numerical results from near‐field recordings. A case study is presented. Copyright © 2006 John Wiley & Sons, Ltd.     

进化策略算法在地面沉降量计算参数反演中的应用

多数情况下,评估的研究区缺乏多年积累的地下水位及开采量资料。因此,通常采用土力学模型,根据太沙基固结理论,进行地面沉降量预测。在地面沉降量计算中,土层变形参数值的选取直接影响计算结果的精确性。深层含水层埋深通常大于100m。通过现场勘探,采取土样进行岩土物理力学性质试验获取参数值,成本过于昂贵。通过参考区域土层物理力学性质资料,结合工程经验获取参数值,预测结果的精度得不到保证。针对上述情况,作者提出用非线性优化算法-进化策略算法,根据实测地面沉降量反演土层变形参数值。通过这种方法确定参数值,既节约成本,又保证了计算结果的可靠性。进化策略算法通过模拟生物遗传及进化过程,利用转移概率来帮助指导搜索。搜索结果不依赖于初始点的选择,对于求解全局最优解有很强的鲁棒性。作者将进化策略算法用于某一工程实例土层变形参数的反演,结果表明了该算法的可行性及稳健性,值得在工程实践中推广应用。     

热源法探测陡河水库左坝肩绕坝渗漏通道

通过热源法对陡河水库渗漏通道的探测发现,陡河水库左坝肩存在着绕坝渗漏通道。在左坝肩基岩10m高程附近存在低温场异常,通过对水库底部附近温度场分布测量,判定出低温水来自上游右支河水的补给,通过低温区分布确定出绕坝渗漏强渗漏通道的位置,在库水位保持在32m时,根据热源法计算出渗漏通道的渗漏量在3.59×105~4.74×105m3/d之间,钻孔发现水库边基岩中的水位比库水位低22m,水位差是造成了水库跌窝事故的主要原因,在11#钻孔中发现了来自河床的细砂,在11#和9#孔中的连通试验证实基岩中的强渗漏通道。     

基坑边坡变形的理论计算方法

基于Mindli。应变解，推导出土质直坡和斜坡侧向与竖向变形的理论解。通过计算分析，讨论了影响边坡变形的因素，并据此提出了边坡支护和加固的方法。     

Scattering of Rayleigh waves by a shallow circular alluvial valley： High-frequency solution

Introduction The effect of local site conditions on wave propagation is one of the most attractive topics in engineering seismology. It may be resolved by either a numerical method or an analytical method. Numerical methods include the finite difference, finite element, boundary element method, etc. The analytical method is the wave function expansion method. The advantage of these numerical methods is that they can be applied to local inhomogeneity of arbitrary shapes, but analytical method …     

Surface motion of a semi-cylindrical hill for incident plane SV waves： Analytical solution

Introduction Scattering of incident waves by local topographies is one of the most attractive topics in the field of engineering seismology. They can be resolved by either a numerical method or an analyti-cal method. The numerical methods include finite difference method, finite element method, boundary element method, etc. The analytical method is the wave function expansion method. Al-though numerical methods can be used for arbitrary-shaped topographies, the analytical solutions are still …     

An approximate analytical solution for the deposition of heavy particles released from an elevated line source

This work re-examines and further develops an analytical solution for the deposition swath of heavy particles released in the atmosphere from an elevated source over uniform terrain, correcting the particle diffusivity for the crossing trajectory effect. The revised (approximate) analytical solution proves to be accurate within 20% over a wide range of micrometeorological conditions and particle size, despite its neglect of the turbulence component of the deposition flux. It compares very satisfactorily with experimental data and with the simulations of a Lagrangian stochastic model, provided the variable U(H)/w _g ≤7 (ratio of the mean horizontal wind speed at source height to the particle settling velocity). In this domain of validity, simple formulae relating the statistics of the deposition swath to U(H)/w _g are derived.