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研究生: 辛承威
Xin, Cheng-Wei
論文名稱: 電荷守恆的泊松-玻茲曼方程在橢圓域下之快速算法
The Fast Algorithm for the Charge Conserving Poisson-Boltzmann Equation in Elliptic Domain
指導教授: 舒宇宸
Shu, Yu-Chen
學位類別: 碩士
Master
系所名稱: 理學院 - 數學系應用數學碩博士班
Department of Mathematics
論文出版年: 2018
畢業學年度: 106
語文別: 中文
論文頁數: 40
中文關鍵詞: 電荷守恆的泊松-玻茲曼方程橢圓域有限差分法快速傅立葉轉換
外文關鍵詞: Charge Conserving Poisson-Boltzmann equation, elliptic domain, finite difference method, fast Fourier transform
相關次數: 點閱:110下載:5
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  • 在這一篇論文中使用快速傅立葉轉換(FFT)、固定點迭代和牛頓法,在橢圓域上數值求解電荷守恆的泊松-玻茲曼方程(CCPB),此方程包含線性算子與非線性函式。首先,我們使用有限差分法把已橢圓座標參數化的線性算子數值離散,並且使用快速傅立葉轉換得到線性部分的數值解,非線性的部分藉由固定點迭代與牛頓法求解。數值解是二階收斂的,除此之外,運算時間與未知總點數幾乎成正比。

    In this thesis, we solve the Charge Conserving Poisson-Boltzmann equation(CCPB) numerically in elliptic domain by using fast Fourier transform(FFT), fixed point iterations and Newton method. The equation consists of a linear operator and a nonlinear function. First, we use the finite difference method to obtain the numerical discretization of the linear operator with elliptic coordinate parameterization and use fast Fourier transform to obtain the solution of the linear part. The non-linear part is solved by the fixed point iteration and Newton method. The convergence of the solution is second order. In addition, the computation time is almost proportional to the number of total unknowns.

    1 前言 --- 1 1.1 Poisson Equation --- 1 1.2 Boltzmann Equation --- 1 1.3 Poisson-Boltzmann Equation --- 2 1.4 研究目標 --- 2 2 問題描述 --- 3 2.1 CCPB Equation --- 3 2.2 目標問題 --- 4 3 數值方法 --- 5 3.1 橢圓座標系 --- 5 3.2 座標轉換 --- 9 3.3 離散化 --- 12 3.4 加速方法 --- 19 3.5 非線性的Poisson Equation求解 --- 25 4 數值結果 --- 28 4.1 數值測試前的設置 --- 28 4.2 真實解與數值解的誤差 --- 29 4.2.1 線性方程 --- 29 4.2.2 非線性方程 --- 30 4.3 運算時間 --- 33 4.4 迭代次數 --- 38 5 結論 --- 39 參考目錄 --- 40

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