Least Squares Convex-Concave Data Smoothing

We consider n noisy measurements of a smooth (unknown) function, which suggest that the graph of the function consists of one convex and one concave section. Due to the noise the sequence of the second divided differences of the data exhibits more sign changes than those expected in the second derivative of the underlying function. We address the problem of smoothing the data so as to minimize the sum of squares of residuals subject to the condition that the sequence of successive second divided differences of the smoothed values changes sign at most once. It is a nonlinear problem, since the position of the sign change is also an unknown of the optimization process. We state a characterization theorem, which shows that the smoothed values can be derived by at most 2n – 2 quadratic programming calculations to subranges of data. Then, we develop an algorithm that solves the problem in about O(n ²) computer operations by employing several techniques, including B-splines, the use of active sets, quadratic programming and updating methods. A Fortran program has been written and some of its numerical results are presented. Applications of the smoothing technique may be found in scientific, economic and engineering calculations, when a potential shape for the underlying function is an S-curve. Generally, the smoothing calculation may arise from processes that show initially increasing and then decreasing rates of change.     

低温液体无损贮存压力升高的实验与计算

准确、简单地预测低温液体无损贮存时的压力升高具有重要的实用价值。对一低温容器利用液氮为介质进行了多次无损贮存实验,利用多元线性回归方法对实验数据进行分析和检验。分析表明无损贮存时间、初始充满率对压力升高的影响较大,而环境温度的影响可以忽略,并拟合出了压力升高的计算公式。计算结果和实验结果在很大范围内能够较好地吻合。该种计算方法在预测低温液体无损贮存压力升高时有较高的准确性与可靠性。     

激光辐照下转动柱壳平均温度与破坏时间的工程估算

 推导了激光辐照下转动壳体平均温度沿壳体母线方向分布的解析公式。由于对高斯功率密度分布光束无法得到工程上实用的结果，对公式进行了解析拟合，仅由一个具有实际物理意义的拟合系数——分布因子确定了解析拟合公式的形式，明确了温度估算公式中各项的物理意义。解析拟合公式计算结果与数值模拟结果较为一致。作为温升估算方法的一个应用实例，推导了转动充压柱壳在激光辐照下破坏时间的解析公式，与数值计算结果吻合得较好。     

On the Validity of Darcy's Law for Stable High-Concentration Displacements in Granular Porous Media

Recently, it has been suggested that Darcy's Law might not be applicable for modelling miscible, density-dependent flow in porous media. To investigate this, three sets of careful laboratory column experiments were performed on coarse and medium sands, consisting of upward displacement of water by sodium chloride solutions with concentrations ranging from 5 to 200g/l. Data on salt concentrations and water pressures were collected in horizontal transects along the flow direction. Salt concentration data were also collected in the influent and exit lines. The experimental data were analysed using a simplified approach based on Darcy's Law alone, applied with the assumption of a sharp interface. Darcy's Law was used to estimate porous medium permeability by fitting predictions to experimental data. Consistent estimates of permeability were obtained for each set of experiments. The results indicate that Darcy's Law adequately describes high concentration displacements through saturated coarse- and medium-grained porous media.     

Low‐memory iterative density fitting

A new low‐memory modification of the density fitting approximation based on a combination of a continuous fast multipole method (CFMM) and a preconditioned conjugate gradient solver is presented. Iterative conjugate gradient solver uses preconditioners formed from blocks of the Coulomb metric matrix that decrease the number of iterations needed for convergence by up to one order of magnitude. The matrix‐vector products needed within the iterative algorithm are calculated using CFMM, which evaluates them with the linear scaling memory requirements only. Compared with the standard density fitting implementation, up to 15‐fold reduction of the memory requirements is achieved for the most efficient preconditioner at a cost of only 25% increase in computational time. The potential of the method is demonstrated by performing density functional theory calculations for zeolite fragment with 2592 atoms and 121,248 auxiliary basis functions on a single 12‐core CPU workstation. © 2015 Wiley Periodicals, Inc.     

基于弹性统计理论的硅橡胶纳米复合材料本构关系的建立

基于考虑了悬垂链的橡胶弹性统计模型,通过引入应变放大因子,建立了硅橡胶纳米复合材料的基于微观机制的本构关系,其中利用硅橡胶分子信息(分子量M、乙烯基含量wt_(Vi)%)、乙烯基反应程度(q)估算获得本构方程中的交联点间链段分子量(Mc),网络链(network strands)体积分数(Φ)等参数,通过拟合确定了与纳米粒子相关的部分参数(初始应变放大因子X_0,极限应变放大因子X_∞,衰减因子z),对掺杂白炭黑的单组分及长短链配合硅橡胶拉伸应力-应变数据进行拟合,在采用相同X_∞,z值情形下,拟合曲线仍能与实测值符合较好(拟合的Adj.R-Square值分别为0.99576、0.99596)。基于微观物理机制的本构关系能够成为联系微观分子结构参数与宏观应力的桥梁,本文工作有望为更有针对性地改进和优化硅橡胶的性能提供依据。     

卫星运动预测及规避的建模与求解

近年来,随着各国侦查卫星系统的不断完善,有效根据观测数据预测卫星的轨迹,同时建立适当的规避防范措施变得尤为重要·通过研究地面监测站监测的卫星数据及地理信息,提出了一种基于三维坐标系变换的卫星轨迹求解模型,具体建立模型的方法为:建立4种不同的坐标系,通过卫星坐标在4种坐标系中的变换,将地面检测站检测到的卫星数据进行处理,拟合出卫星的六个运动参数,得出卫星运动轨迹方程,并较为精准的预测卫星被观测站观测到的情况,以及任意时刻星下点的经纬度坐标.针对卫星的运动情况,为满足我方军事目标的运动需求,根据新疆地图建立军队行军路线的有向图,然后,在考虑卫星规避的情况下对每条路线进行模拟分析,最终,通过每条路线模拟分析的结果进行比对,得出最优的行军路线.     

小样本定数截尾场合下威布尔和对数正态分布的拟合检验

本文给出了小样本定数截尾场合下两参数威布尔分布和对数正态分布的拟合检验方法,该方法还适用于一般的位置-刻度参数族分布,论文还通过实际算例说明方法的可行性。     

圆平板挤压膜实验及其参数识别

完成了简谐激励下水中平行圆板的挤压膜振动实验．用最小二乘法识别出非线性粘性挤压膜力模型中的４个系数．不同挤压膜厚、不同频率和不同振幅情况的数值模拟结果与实验值吻合较好．研究结果表明，所用模型可较好地描述粘性挤压膜运动，识别出的系数在一定范围内给出良好精度的数值模拟．     

应用数字图像相关方法测量含缺陷试样的全场变形

利用数字图像相关方法测量表面带孔洞、裂纹、缺口等缺陷试样的全场变形是许多实际测量任务中经常遇到的问题。就此问题，本文阐述了一种先对要避免计算的缺陷区域进行标记，在随后进行的相关计算中直接避免这些标记区域的方法。在已计算得到全场位移的情况下，文中提出了基于局部位移场最小二乘拟合的方法来计算区域边界、孔洞、裂纹或缺口附近等区域应变。最后对单侧边带半圆缺口试样的单向疲劳拉伸实验的计算结果充分显示本文方法的有效性和可靠性。