Some remarks about the resolution of high velocity flows near low densities

High velocity flows which are exposed to strong rarefaction waves and creating low densities regions in it present difficulties and inaccuracies for numerical resolution. In particular, variables related to the internal energy are wrongly evaluated. Use of classical schemes solving the Euler equations in conservative variables introduces significant errors in the determination of temperature. We recommend to employ a non-conservative formulation of the energy equation. Results found to be more accurate in using the present internal energy formulation. In order to have the formulation available for both shock and strong rarefaction waves, we propose a hybrid formulation of conservative and non-conservative ones, depending on a shock indicator. The results are compared with exact solutions and show a significant improvement of the accuracy. The method is then extended to two-dimensional cases. Received 28 March 1997 / Accepted 18 June 1997     

求解Helmholtz方程基于核重构思想的最小二乘配点法

基于核重构思想构造近似函数，将配点法和最小二乘原理相结合对微分方程进行离散， 建立了Helmholtz方程的最小二乘配点格式，并分别研究了Helmholtz方程的波传播问题和 边界层问题. 通过数值算例可以发现，给出的数值计算结果非常接近于精确解，计算精度明显高于SPH 法的数值结果，且随着节点数目的增加，其精确度越来越高，具有良好的收敛性.     

Unitary group adapted state specific multireference perturbation theory: Formulation and pilot applications

We present here a comprehensive account of the formulation and pilot applications of the second‐order perturbative analogue of the recently proposed unitary group adapted state‐specific multireference coupled cluster theory (UGA‐SSMRCC), which we call as the UGA‐SSMRPT2. We also discuss the essential similarities and differences between the UGA‐SSMRPT2 and the allied SA‐SSMRPT2. Our theory, like its parent UGA‐SSMRCC formalism, is size‐extensive. However, because of the noninvariance of the theory with respect to the transformation among the active orbitals, it requires the use of localized orbitals to ensure size‐consistency. We have demonstrated the performance of the formalism with a set of pilot applications, exploring (a) the accuracy of the potential energy surface (PES) of a set of small prototypical difficult molecules in their various low‐lying states, using natural, pseudocanonical and localized orbitals and compared the respective nonparallelity errors (NPE) and the mean average deviations (MAD) vis‐a‐vis the full CI results with the same basis; (b) the efficacy of localized active orbitals to ensure and demonstrate manifest size‐consistency with respect to fragmentation. We found that natural orbitals lead to the best overall PES, as evidenced by the NPE and MAD values. The MRMP2 results for individual states and of the MCQDPT2 for multiple states displaying avoided curve crossings are uniformly poorer as compared with the UGA‐SSMRPT2 results. The striking aspect of the size‐consistency check is the complete insensitivity of the sum of fragment energies with given fragment spin‐multiplicities, which are obtained as the asymptotic limit of super‐molecules with different coupled spins. © 2015 Wiley Periodicals, Inc.     

Development of a Sensor Based on Modified Carbon Paste with Com Iron(III) Protoporphyrin Immobilized on SiNbZn Silica Matrix for L‐tryptophan Determination

In this work, SiO₂/Nb₂O₅/ZnO prepared by the sol‐gel processing method was used as substrate base for immobilization of the protoporphyrin‐IX ion. Iron(III) ion was inserted into the porphyrin ring (SiNbZn‐PPFe). A simple square wave voltammetry method based on a composite sensor carbon paste electrode of this material,designed as EPC‐SiNbZn‐PPFe, was developed and validated successfully for the determination of L‐tryptophan (Trp). The optimum conditions were obtained by using sensor modified with 18.00 mg SiNbZn‐PPFe material, 12.00 mg graphite powder and 6.0 μL mineral oil and phosphate buffer 0.3 mol L⁻¹ pH 7.0. The sensitivity of the sensor was found to be 0.523 AL mol ⁻¹, linear range from 10 to 70 μmol L⁻¹ and limit of detection of 3.28 μmol L⁻¹. Therefore, the developed method was successfully applied for the Trp determination in real samples of pharmaceutical formulation and can be used for routine quality control pharmaceutical formulations containing Trp.     

A New Variational Formulation for a Kind of Reaction-diffusion Problem in Broken Sob olev Space

In this paper, a new variational formulation for a reaction-diffusion problem in broken Sobolev space is proposed. And the new formulation in the broken Sobolev space will be proved that it is well-posed and equivalent to the standard Galerkin variational formulation. The method will be helpful to easily solve the original partial differential equation numerically. And the method is novel and interesting, which can be used to deal with some complicated problem, such as the low regularity problem, the differential-integral problem and so on.     

基于S-R和分解定理的几何非线性问题的数值计算分析

为了探究几何非线性问题的数值求解方法,采用理论推导、MATLAB编程计算、有限元模拟相结合的方法,基于S-R和分解定理及更新拖带坐标描述法,运用插值型无单元Galerkin方法对几何非线性问题的增量变分方程进行了推导,并通过四点Gauss积分法和不动点迭代法对其进行求解.最后以平面悬臂梁的大变形问题为例进行求解计算,发现与ANSYS的计算结果拟合相似度很高,说明了所采用的几何非线性力学理论及数值计算方法的正确性和合理性,为求解几何非线性问题提供了一种新的依据.     

弹性力学的混合方程和Hamilton正则方程

本文指出,在弹性力学基本方程中,按变量分类的位移方程,应力方程以外的第三种混合方程,以及按运算子分类的微分方程、变分原理以外的第三种Hamilton方程,它们正好是对应的。本文讨论了静力的和动力的情况以及它们可能的应用。     

On the numerical solution of tracked vehicle dynamic equations

In this investigation, the solution of the nonlinear dynamic equations of the multibody tracked vehicle systems are obtained using different procedures. In the first technique, which is based on the augmented formulation that employes the absolute Cartesian coordinates and Lagrange multipliers, the generalized coordinate partitioning of the constraint Jacobian matrix is used to determine the independent coordinates and the associated independent differential equations. An iterative Newton-Raphson algorithm is used to solve the nonlinear constraint equations for the dependent variables. The numerical problems encountered when one set of independent coordinates is used during the simulation of large scale tracked vehicle systems are demonstrated and their relationship to the track dynamics is discussed. The second approach employed in this investigation is the velocity transformation technique. One of the versions of this technique is discussed in this paper and the numerical problems that arise from the use of inconsistent system of kinematic equations are reported. In the velocity transformation technique, the tracked vehicle system is assumed to consist of two kinematically decoupled subsystems; the first subsystem consists of the chassis, the rollers, the sprocket and the idler, while the second subsystem consists of the track which is represented as a closed kinematic chain that consists of rigid links connected by revolute joints. It is demonstrated that the use of one set of recursive equations leads to numerical difficulties because of the change in the track configuration. Singular configurations can be avoided by repeated changes in the recursive equations. The sensitivity of the predictor-corrector multistep numerical integration schemes to the method of formulating the state equations is demonstrated. The numerical results presented in this investigation are obtained using a planner tracked vehicle model that consists of fifty four rigid bodies.     

Plane Problem of Three-Dimensional Stability for a Hinged Plate with Two Symmetric End Cracks

The plane stability problem for a rectangular plate with two symmetric end cracks is solved in three-dimensional formulation. The three-dimensional linearized theory of stability and the finite-difference method are used. The effect of the crack parameter on the critical load is examined__________Translated from Prikladnaya Mekhanika, Vol. 41, No. 4, pp. 47–52, April 2005.     

On the finite displacement analysis of quadrangular plates

In this paper, a numerical method for the linear and geometrically non-linear static analysis of thin plates is presented. The method begins with the elasticity equations pertaining to strain components, stresses, displacement components, strain energy and work due to externally applied loads. The plate geometry is defined by a quadrangular boundary with four straight edges and the natural coordinates in conjunction with the Cartesian coordinates are used to map the geometry. The matrix equation of equilibrium is derived using the work-energy principle with the displacement fields expressed by algebraic polynomials, the coefficients of which are then manipulated to satisfy the kinematic boundary conditions. To validate the results from the present method, square plates having all sides fully fixed and all sides simply supported without in-plane movement are analysed. Comparison is made for the uniformly loaded square plate with the results obtained by Levy who solved the non-linear plate bending problem using the Th.von Ka’rma’n’s equations. Rhombic plates are examined and numerical results corresponding to these cases are presented in this paper. Very good comparison of the results regarding deflection and bending stresses with other sources available in the literature is found.