Efficient and Robust Design for Absorbing Boundary Conditions in Atomistic Computations

Autor:	Tang Shao-Qiang, Fang Ming
Rok vydání:	2009
Předmět:	Physics Range (mathematics) Computation General Physics and Astronomy Applied mathematics Integral element Wavenumber Minification Boundary value problem Reflection coefficient Absorption (electromagnetic radiation)
Zdroj:	Chinese Physics Letters. 26:116201
ISSN:	1741-3540 0256-307X
DOI:	10.1088/0256-307x/26/11/116201
Popis:	We propose an efficient and robust way to design absorbing boundary conditions in atomistic computations. An optimal discrete boundary condition is obtained by minimizing a functional of a reflection coefficient integral over a range of wave numbers. The minimization is performed with respect to a set of wave numbers, at which transparent absorption is reached. Compared with the optimization with respect to the boundary condition coefficients suggested by E and Huang [Phys. Rev. Lett. 87 (2001) 133501], we reduce considerably the number of independent variables and the computing cost. We further demonstrate with numerical examples that both the optimization and the wave absorption are more robust in the proposed design.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::9dd75fd8d80c6efd05a78ae04d2b300d https://doi.org/10.1088/0256-307x/26/11/116201 Zobrazit plný text záznamu