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Using pseudo transient continuation and the finite element method to solve the nonlinear Poisson-Boltzmann equation [electronic resource].

Published
Washington, D.C. : United States. Dept. of Energy, 2000.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy.
Physical Description
PDF-FILE: 8 ; SIZE: 0.2 MBYTES pages
Additional Creators
Lawrence Livermore National Laboratory, United States. Department of Energy, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
The nonlinear Poisson-Boltzmann (PB) equation is solved using Pseudo Transient Continuation. The PB solver is constructed by modifying the nonlinear diffusion module of a 3D, massively parallel, unstructured-grid, finite element, radiation-hydrodynamics code. The solver also computes the electrostatic energy and evaluates the force on a user-specified contour. Either Dirichlet or mixed boundary conditions are allowed. The latter specifies surface charges, approximates far-field conditions, or linearizes conditions ''regulating'' the surface charge. The code may be run in either Cartesian, cylindrical, or spherical coordinates. The potential and force due to a conical probe interacting with a flat plate is computed and the result compared with direct force measurements by chemical force microscopy.
Report Numbers
E 1.99:ucrl-jc-139342-rev-1
ucrl-jc-139342-rev-1
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Note
Published through SciTech Connect.
12/27/2000.
"ucrl-jc-139342-rev-1"
4th International Modeling and Simulation of Microsystems MSM 2001 Conference, Hilton Head Island, SC (US), 03/19/2001--03/21/2001.
Shestakov, A I; Noy, A; Milovich, J L.
Funding Information
W-7405-ENG-48
View MARC record | catkey: 14348512