Parallel Newton-Krylov-Schwarz Algorithms for Finite Element Solution of Three Dimensional Poisson-Boltzmann Equations with Applications in Colloidal Science

• Main Authors: Shang-Rong Cai, 蔡尚融
• Other Authors: Feng-Nan Hwang
• Format: Others
• Language: en_US
• Published: 2008
• Online Access: http://ndltd.ncl.edu.tw/handle/j5cbws

碩士 === 國立中央大學 === 數學研究所 === 96 === We employ the Newton-Krylov-Schwarz algorithms for solving a large sparse nonlinear system of equations arising from the finite element discretization of three dimensional Poisson-Boltzmann equation (PBE) in the application in colloidal science. The method do the numerical simulation in three dimensional space for the charged colloidal particles in a electrolyte. The PBE is used to describe the distribution of electrostatic potential in a colloidal system. We validate our code by computing the electrostatic forces of their interactions on the charged colloidal particles, and the results agree with other published data. we also conduct parallel performance study on a parallel machine, and the result shows that our code reachs 58% efficiency up to 32 processors.