电磁波导的奇异元与对偶有限元分析

基于电磁波导的对偶变量变分原理以及Hamilton正则方程,将含有奇异性的电磁场问题导入Hamilton体系下进行分析,通过分离变量及共轭辛本征函数向量展开法,构造出可以表征电磁场奇异性的奇异解析元。奇异元的采用克服了普通单元处理含有导电劈和介质楔的波导问题的困难,同时能够方便地与电磁对偶元相结合,保持了有限元方法的灵活性,具有较高的精度。     

一类非线性伪抛物型方程的伪谱解法

本文考虑了一类非线性伪抛物型方程的Fourier伪谱方法,建立了该方程的Fourier伪谱方法的半离散格式和全离散格式．并利用Sobolev空间的正交映射理论,给出了这两种格式的误差估计．最后针对全离散格式给出了数值算例,数值结果表明Fourier伪谱格式能正确加解密,且计算误差较小,效率较高,具有较好的稳定性,可用于提高热流密码体制的加解密效率．     

LIMITED MEMORY BFGS METHOD FOR NONLINEAR MONOTONE EQUATIONS

In this paper, we propose an algorithm for solving nonlinear monotone equations by combining the limited memory BFGS method （L-BFGS） with a projection method. We show that the method is globally convergent if the equation involves a Lipschitz continuous monotone function. We also present some preliminary numerical results.     

基于同伦技术的Burgers方程的小波精细积分算法

以Burgers方程为例,结合区间小波精细积分方法,将同伦摄动方法的应用范围推广到多维非线性问题,给出一种求解非线性偏微分方程的新的小波精细积分方法,得到一种近似解析解的数值结果,对时间步长不敏感,更适合于求解非线性问题.     

二维多群辐射输运程序LARED-R-1的并行化

利用有向图描述数据依赖关系,应用已有的并行流水线通量扫描算法,实现基于非协调网格的二维辐射输运程序LARED-R-1的并行化.同时,采用消息缓冲技术提高并行程序的性能.经测试,对于典型的问题规模(100群、3800个网格单元、40个方向),在某并行机的64个和128个处理器上,并行程序分别获得80%和53%的并行效率.     

变形双重介质分形油藏非达西流动分析

考虑与实际生产相符的介质的双重特性和分形特征,并考虑介质的变形,引入双重分形介质渗透率模数,建立应力敏感地层双重分形介质系统的流动方程.采用Douglas-Jones预估-校正法获得无限大地层定产量生产时变形双重分形介质模型的数值解和无限大地层定压生产时分形介质双孔模型的数值解,作出了典型的压力曲线图版.     

一类非线性发展方程的特征中心差分法

给出一类非线性发展方程的特征中心差分法,分别得到非规则网格上的位移u、速度u_t及其对空间变量x的一阶导数项的差分解和误差估计.所讨论方法的计算量与基于线性插值的特征差分法相当,其近似解与基于二次插值的特征差分法的近似解具有相同阶的误差估计,u,u_t对空间变量x的一阶导数近似均具有超收敛误差估计.数值试验说明了该方法的可行性和有效性.     

Theoretical study of (e, 2e) triple differential cross sections of pyrimidine and tetrahydrofurfuryl alcohol molecules using multi-center distorted-wave method

We report theoretical studies of electron impact triple differential cross sections of two bio-molecules,pyrimidine and tetrahydrofurfuryl alcohol,in the coplanar asymmetric kinematic conditions with the impact energy of 250 eV and ejected electron energy of 20 eV at three scattering angles of-5°,-10°,and-15°.Present multi-center distorted-wave method well describes the experimental data,which was obtained by performing(e,2e)experiment.The calculations show that the secondary electron produced by the primary impact electron is strongly influenced by the molecular ionic multi-center potential,which must be considered when the low energy electron interacts with DNA analogues.     

Influence of the tangential velocity on the compressible Kelvin−Helmholtz instability with nonequilibrium effects

Kelvin−Helmholtz (KH) instability is a fundamental fluid instability that widely exists in nature and engineering. To better understand the dynamic process of the KH instability, the influence of the tangential velocity on the compressible KH instability is investigated by using the discrete Boltzmann method based on the nonequilibrium statistical physics. Both hydrodynamic and thermodynamic nonequilibrium (TNE) effects are probed and analyzed. It is found that, on the whole, the global density gradients, the TNE strength and area firstly increase and decrease afterwards. Both the global density gradient and heat flux intensity in the vertical direction are almost constant in the initial stage before a vortex forms. Moreover, with the increase of the tangential velocity, the KH instability evolves faster, hence the global density gradients, the TNE strength and area increase in the initial stage and achieve their peak earlier, and their maxima are higher for a larger tangential velocity. Physically, there are several competitive mechanisms in the evolution of the KH instability. (i) The physical gradients increase and the TNE effects are strengthened as the interface is elongated. The local physical gradients decrease and the local TNE intensity is weakened on account of the dissipation and/or diffusion. (ii) The global heat flux intensity is promoted when the physical gradients increase. As the contact area expands, the heat exchange is enhanced and the global heat flux intensity increases. (iii) The global TNE intensity reduces with the decreasing of physical gradients and increase with the increasing of TNE area. (iv) The nonequilibrium area increases as the fluid interface is elongated and is widened because of the dissipation and/or diffusion.     

NnHn(n=3～7)氮氢化合物的结构质理论研究

本文对53种NnHn(n=3～7)氮氢化合物进行了理论计算,应用自然键轨道理论(Nature Bond Orbital,NBO)和分子中的原子理论(Atoms In Molecules,AIM)分析了化合物的成键特征、相对稳定性.氮原子孤对电子与氮氮键以及氮氮键相互之间的超共轭作用是影响氮氮键长的重要因素.采用原子基团...