大非线性相移下光学非线性Z扫描特性的研究

采用高斯分解法(GD)对大非线性相移下的Z扫描特性进行了分析，通过对数值算法的优化，将GD推广到对脉冲入射激光下大非线性相移下的Z扫描理论分析.对不同条件下大非线性相移Z扫描曲线峰谷结构的比较，发现在大非线性相移的情况下，Z扫描曲线的峰和谷随透过光阑或入射光强变化表现出某些新的特性.随着透过光阑孔径的增加，Z扫描曲线峰的变化要明显快于谷的变化，而且在谷明显存在的情况下，峰很快消失.采用皮秒脉冲激光下的纯二硫化碳实验对理论结果加以验证，实验结果和理论分析相一致.我们的分析结果对大非线性相移下Z扫描测量有一定的指导性意义，避免在大非线性相移下对Z扫描结果产生错误的分析. 关键词： 大非线性相移 高斯分解法 Z扫描     

连续动力系统时间序列的非线性检验

用相位随机化的替代数据方法，研究了连续混沌动力系统时间序列的非线性检验判定.研究发现，在不同的采样情况下，混沌时间序列的非线性特性检验有所差异，尤其对于过采样时间序列，往往会出现虚假的判断结果.针对过采样时间序列，最好采用能够反映非线性特征的参数，作为检验统计量进行检验判断. 关键词： 替代数据 关联维数 连续时间序列 非线性检验     

Kirchhoff方程的相对常值特解及其Lyapunov稳定性

对于超细长弹性杆静力学的Kirchhoff方程，用动力学的概念和方法研究其常值特解 和稳定性问题.计算了Kirchhoff方程相对固定坐标系、截面主轴坐标系以及中心线Frenet 坐标系的常值特解，进行了Kirchhoff动力学比拟，用一次近似理论分别讨论了它们的Lyapu nov稳定性，导出了若干稳定性判据，并在参数平面上绘出了稳定域. 关键词： 超细长弹性杆 Kirchhoff方程 常值特解 Lyapunov稳定性     

炸药水中爆炸冲击因子的新型计算方法

针对水中爆炸冲击因子在近场范围内的一些不足,利用水中爆炸冲击波的最大峰值压力与正相冲量的乘积推导了冲击因子的表达式。通过水中爆炸实验,得到了几种典型炸药的冲击波参数及其相似方程。利用该公式计算了水中爆炸冲击因子及其装药指数,并与基于平面波的水下爆炸冲击因子进行了对比。结果表明：冲击因子中的装药指数n＝0.5不仅适合所有以TNT为基本组分的炸药,也适合于RDX、HMX基的炸药。在修正冲击波形状的基础上,由峰值压力与冲量的乘积推导的冲击因子计算公式,从冲击波的毁伤作用的角度表述了水中爆炸冲击因子的物理意义,在计算近场冲击因子时具有更高的准确性。

     

Atomistic simulations of elastic deformation and dislocation nucleation during nanoindentation

Nanoindentation experiments have shown that microstructural inhomogeneities across the surface of gold thin films lead to position-dependent nanoindentation behavior [Phys. Rev. B (2002), to be submitted]. The rationale for such behavior was based on the availability of dislocation sources at the grain boundary for initiating plasticity. In order to verify or refute this theory, a computational approach has been pursued. Here, a simulation study of the initial stages of indentation using the embedded atom method (EAM) is presented. First, the principles of the EAM are given, and a comparison is made between atomistic simulations and continuum models for elastic deformation. Then, the mechanism of dislocation nucleation in single crystalline gold is analyzed, and the effects of elastic anisotropy are considered. Finally, a systematic study of the indentation response in the proximity of a high angle, high sigma (low symmetry) grain boundary is presented; indentation behavior is simulated for varying indenter positions relative to the boundary. The results indicate that high angle grain boundaries are a ready source of dislocations in indentation-induced deformation.     

Liquid–liquid equilibrium in ternary ionic liquid systems by UNIFAC: New volume,surface area and interaction parameters. Part I

Ternary liquid–liquid equilibria (LLE) data in systems involving ionic liquids has been investigated by several years, mainly due to the innovative role of ionic liquids as extraction solvents. The thermodynamic modeling of these systems has been performed almost invariably with the well-known NRTL model. In recent years, the UNIQUAC model has also been used, with structural parameters for ionic liquids determined either by empirical correlations or, more recently, through quantum mechanics calculations. In this work, the structural group volume and area parameters for the group-contribution UNIFAC method have been calculated for six ionic liquids following the quantum mechanics approach. The Density Functional Theory (DFT) was used to optimize the molecular geometry and the Polarizable Continuum Method (PCM) was used to calculate the area and volume. The obtained parameters were used to correlate LLE data for twenty-four ternary systems, totalizing 169 tie-lines. New interaction parameters were also estimated between the solvent and ionic liquid functional groups. The results are very satisfactory, with root mean square deviations between experimental and calculated compositions about 1.6%.     

The pockels coefficient of new polymers for nonlinear optics and its time dependence after poling,compared with dielectric measurements

Epoxy polymers with donor–acceptor type side groups were synthesized for application in nonlinear optics. The stability of the Pockels coefficient was measured in thin films after poling. The relaxation times and their temperature dependence seem to be correlated with dielectric measurements. Guest–host systems (polystyrene and polymethylmethacrylate with dimethylaminonitrostilbene) were investigated for comparison.     

Continuous modified Newton’s-type method for nonlinear operator equations

A nonlinear operator equation F(x)=0, F:H→H, in a Hilbert space is considered. Continuous Newton’s-type procedures based on a construction of a dynamical system with the trajectory starting at some initial point x ₀ and becoming asymptotically close to a solution of F(x)=0 as t→+∞ are discussed. Well-posed and ill-posed problems are investigated. Received: June 29, 2001; in final form: February 26, 2002?Published online: February 20, 2003 This paper was finished when AGR was visiting Institute for Theoretical Physics, University of Giessen. The author thanks DAAD for support     

EQ 1 rot nonconforming finite element method for nonlinear dual phase lagging heat conduction equations

EQ rot 1 nonconforming finite element approximation to a class of nonlinear dual phase lagging heat conduction equations is discussed for semi-discrete and fully-discrete schemes. By use of a special property, that is, the consistency error of this element is of order O(h2 ) one order higher than its interpolation error O(h), the superclose results of order O(h2 ) in broken H1 -norm are obtained. At the same time, the global superconvergence in broken H1 -norm is deduced by interpolation postprocessing technique. Moreover, the extrapolation result with order O(h4 ) is derived by constructing a new interpolation postprocessing operator and extrapolation scheme based on the known asymptotic expansion formulas of EQ rot 1 element. Finally, optimal error estimate is gained for a proposed fully-discrete scheme by different approaches from the previous literature.     

大数据背景下水厂自动投矾模型研究

根据某市自来水有限责任公司第二水厂的历史矾耗数据，建立矾耗流量关于原水浊度、温度等的动态矾耗模型. 通过对数据进行处理得到10900个合格且净水效果高效的数据，将筛选出的数据分为训练样本集和测试样本集. 在回归拟合中，通过拟合R2的大小将原水浊度划分为“低浊”“中浊”“高浊”3个区间，利用泰勒展开公式的非线性变量代换分别对3个区间建立不同的多项式回归模型，得到预测正确率约为72%，总的矾耗流量值约减少了9.6%的结果；在随机森林模型中，使用10900个合格数据，利用训练样本集，以“原水浊度”“pH值”“原水流量”和“水温”为输入变量，建立包含2000棵决策树的随机森林模型，得到预测正确率约为44. 21%，总的矾耗流量值增加了0.04%的结果. 从模型对合格数据的拟合优度看，随机森林模型比非线性回归模型效果更好；在平均绝对误差、平均绝对偏差百分比等评价指标上，前者均优于后者；但从历史数据检验的结果，模型的可解读性，模型的操作难度和推广角度看，分段二元非线性回归模型的优势更为突出.