南开大学计算物理讲义2.ppt

a. 自由边界(Natural) 首尾两端没有受到任何让它们弯曲的力，即 。具体表示为 和 (3) 则要求解的方程组可写为： (10) (11) b. 固定边界(Clamped): 首尾两端点的微分值是被指定的，这里分别定为A和B。则可以推出 则要求解的方程组可写为： (10) (2) (11) 1.3 算法总结 假定有n+1个数据节点 a. 计算步长 (i = 0, 1, …, n-1) b. 将数据节点和首位端点条件带入矩阵方程 c. 解矩阵方程，求得二次微分值 。该矩阵为三对角矩阵，具体求法参见三对角矩阵的求解。 d. 计算样条曲线的系数： 下图可以看出不同的端点边界对样条曲线的影响 3. 例子 以y=sin(x)为例, x步长为1，x取值范围是[0,10]。对它使用三次样条插值，插值前后对比如下： * One way to achieve the Lagrange interpolation efficiently is by performing a sequence of linear interpolations. This scheme was first developed by Aitken(1932). We can first work out n linear interpolations with each constructed from a neighboring pair of the n+1 data points. Then we can use these n interpolated data points to achieve another level of n-1 linear interpolations. We repeat this until we obtain the final result after n levels of consecutive linear interpolations. The Aitken method * * Example Let us take as an actual numerical example evaluating y(0.9) from the given set y(0.0)=1.000000, y(0.5)=0.938470, y(1.0)=0.765198, y(1.5)=0.511828, and y(2.0)=0.223891. These are the values of the Bessel function of the first kind of order zero. * xi yi yij yijk yijkl yijklm 0.0 1.000000 ? ? ? ? ? ? ? ? ? 0.5 0.938470 ? ? ? ? ? ? ? 1.0 0.765198 ? ? ? ? ? ? 1.5 0.511828 ? ? ? ? ? ? ? ? 2.0 0.223891 ? ? ? ? * xi yi yij yijk yijkl yijklm 0.0 1.000000 ? ? ? ? ? ? 0.889246 ? ? ? 0.5 0.938470 ? 0.808792 ? ? ? ? 0.799852 ? 0.807272 ? 1.0 0.765198 ? 0.806260 ? 0.807473 ? ? 0.815872 ? 0.807717 ? 1.5 0.511828 ? 0.811725 ? ? ? ? 0.857352 ? ? ? 2.0 0.223891 ? ? ? ? * We can show that the consecutive linear interpolations outlined in above figure recovers the standard Lagrange interpolation , but it is easier to implement. * PROGRAM INTERPOLATION !! Main program for the Lagrange interpolation with the Aitken method. IMPLICIT NONE INTEGER, PA