Abstract
Atomistic computer simulation is concerned with the modeling of the behavior of an alloy by modeling the dissolution of individual atoms from a section of a simulated crystal. Monte Carlo techniques are used for the construction of a random array of atoms in the crystal lattice and to decide on the behavior of individual atoms. The technique has previously proved valuable in understanding several aspects of dealloying; this paper is concerned with the extension of this work to cover the active-passive transition in binary alloys such as Fe-Cr. It is found that a very simple set of rules for estimating the dissolution probability for an individual atom can give a realistic representation of the active-passive transition. These rules are based on the concept that fully developed passivity due to the chromium content of the alloy depends on the existence of continuous chains of -Cr-O-Cr- linkages at the metal surface.
Original language | English (US) |
---|---|
Title of host publication | ASTM Special Technical Publication |
Publisher | Publ by ASTM |
Pages | 17-27 |
Number of pages | 11 |
Edition | 1154 |
State | Published - 1992 |
Externally published | Yes |
Event | Symposium on Computer Modeling for Corrosion - San Antonio, TX, USA Duration: Nov 12 1990 → Nov 13 1990 |
Other
Other | Symposium on Computer Modeling for Corrosion |
---|---|
City | San Antonio, TX, USA |
Period | 11/12/90 → 11/13/90 |
ASJC Scopus subject areas
- General Engineering