The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al.
Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem / Claudio Berti; Dirk Gillespie; Robert S. Eisenberg; Claudio Fiegna. - In: NANOSCALE RESEARCH LETTERS. - ISSN 1556-276X. - STAMPA. - 7:(2012), pp. 1-6. [10.1186/1556-276X-7-135]
Particle-based simulation of charge transport in discrete-charge nano-scale systems: the electrostatic problem
BERTI, CLAUDIO;FIEGNA, CLAUDIO
2012
Abstract
The fast and accurate computation of the electric forces that drive the motion of charged particles at the nanometer scale represents a computational challenge. For this kind of system, where the discrete nature of the charges cannot be neglected, boundary element methods (BEM) represent a better approach than finite differences/finite elements methods. In this article, we compare two different BEM approaches to a canonical electrostatic problem in a three-dimensional space with inhomogeneous dielectrics, emphasizing their suitability for particle-based simulations: the iterative method proposed by Hoyles et al. and the Induced Charge Computation introduced by Boda et al.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.