Solution of the Nonlinear Poisson–Boltzmann Equation Using Pseudo-transient Continuation and the Finite Element Method

The nonlinear Poisson–Boltzmann (PB) equation is solved using Newton–Krylov iterations coupled with pseudo-transient continuation. The PB potential is used to compute the electrostatic energy and evaluate the force on a user-specified contour. The PB solver is embedded in a existing, 3D, massively p...

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Veröffentlicht in:	Journal of colloid and interface science 2002-03, Vol.247 (1), p.62-79
Hauptverfasser:	Shestakov, A.I., Milovich, J.L., Noy, A.
Format:	Artikel
Sprache:	eng
Schlagworte:	chemical force microscopy Chemistry Exact sciences and technology finite elements General and physical chemistry massively parallel nonlinear Poisson–Boltzmann pseudo-transient continuation Solid-liquid interface Surface physical chemistry unstructured grids
Online-Zugang:	Volltext
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