Discontinuous bubble immersed finite element method for Poisson-Boltzmann equation포아송-볼츠만 방정식을 위한 불연속 거품 경계함유 유한요소법

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We develop a numerical scheme for the nonlinear Poisson-Boltzmann equation. First, we regularize the solution of PBE to remove the singularity. We introduce the discontinuous bubble function to treat the nonhomogeneous jump conditions of the regularized solution. Next, starting with an initial guess, we apply linearization to treat the nonlinearity. Then, we discretize the discontinuous bubble and the bilinear form of PBE. Finally, we solve the discretized linear problem by IFEM. This process is repeated by updating the previous approximation. We carry out numerical experiments. We observe optimal convergence rate for all examples. We also apply multigrid method to reduce the computation time.
Advisors
Kwak, Do Youngresearcher곽도영researcher
Description
한국과학기술원 :수리과학과,
Publisher
한국과학기술원
Issue Date
2020
Identifier
325007
Language
eng
Description

학위논문(박사) - 한국과학기술원 : 수리과학과, 2020.2,[iv, 46 p. :]

Keywords

Biomolecular electrostatics▼aPoisson-Boltzmann equation▼aImmersed finite element method▼aDiscontinuous bubble function▼aLinearization▼aMultigrid method; 생체 분자 정전기학▼a포아송-볼츠만 방정식▼a경계함유 유한 요소법▼a불연속 거품 함수▼a선형화▼a멀티그리드 방법

URI
http://hdl.handle.net/10203/283582
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=907853&flag=dissertation
Appears in Collection
MA-Theses_Ph.D.(박사논문)
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