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Title: Numerical Methods of Computational Electromagnetics for Complex Inhomogeneous Systems

Understanding electromagnetic phenomena is the key in many scientific investigation and engineering designs such as solar cell designs, studying biological ion channels for diseases, and creating clean fusion energies, among other things. The objectives of the project are to develop high order numerical methods to simulate evanescent electromagnetic waves occurring in plasmon solar cells and biological ion-channels, where local field enhancement within random media in the former and long range electrostatic interactions in the latter are of major challenges for accurate and efficient numerical computations. We have accomplished these objectives by developing high order numerical methods for solving Maxwell equations such as high order finite element basis for discontinuous Galerkin methods, well-conditioned Nedelec edge element method, divergence free finite element basis for MHD, and fast integral equation methods for layered media. These methods can be used to model the complex local field enhancement in plasmon solar cells. On the other hand, to treat long range electrostatic interaction in ion channels, we have developed image charge based method for a hybrid model in combining atomistic electrostatics and continuum Poisson-Boltzmann electrostatics. Such a hybrid model will speed up the molecular dynamics simulation of transport in biological ion-channels.
Authors:
Publication Date:
OSTI Identifier:
1131316
Report Number(s):
DOE-UNCC-25678
DOE Contract Number:
FG02-05ER25678
Resource Type:
Technical Report
Research Org:
UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE
Sponsoring Org:
USDOE; USDOE Office of Science (SC), Advanced Scientific Computing Research (ASCR) (SC-21)
Contributing Orgs:
UNIVERSITY OF NORTH CAROLINA AT CHARLOTTE
Country of Publication:
United States
Language:
English
Subject:
97 MATHEMATICS AND COMPUTING Maxwell's equations, electrostatics, high order numerical methods, integral equations, plasmons, ion channels