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Computational solution of the atomic mixing equations: special methods and algorithm of IMPETUS II
Author(s) -
Kirkup S. M.,
Wadsworth M.
Publication year - 1998
Publication title -
international journal of numerical modelling: electronic networks, devices and fields
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.249
H-Index - 30
eISSN - 1099-1204
pISSN - 0894-3370
DOI - 10.1002/(sici)1099-1204(199807/08)11:4<207::aid-jnm302>3.0.co;2-i
Subject(s) - mixing (physics) , algorithm , code (set theory) , homogeneous , diffusion , domain (mathematical analysis) , computer science , finite difference , partial differential equation , atomic diffusion , finite difference method , mathematics , statistical physics , physics , mathematical analysis , thermodynamics , set (abstract data type) , programming language , quantum mechanics
The IMPETUS II code simulates the atomic mixing and particle emission that occurs when a solid is bombarded by energetic particles (as in SIMS or SNMS). The underlying model consists of a system of partial differential equations that are solved by a finite difference method (FDM). Special techniques are also employed to model thin layers and sharp interfaces, to deal efficiently with wide homogeneous layers (when the solution is tending to a steady state), to model linear diffusion in order to smooth the sharp interfaces before they enter to domain of the FDM. In this paper the special techniques are described in detail. Results from test problems, demonstrating these techniques, are shown. An algorithm that describes the way the IMPETUS II code is structured is given. © 1998 John Wiley & Sons, Ltd.