Early stages ofphase separation in Fe-Cr alloys: An atomistic study
- 24 March 2009
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 79 (10), 104207
- https://doi.org/10.1103/physrevb.79.104207
Abstract
The thermal aging of Fe-Cr alloys was simulated using atomistic kinetic Monte Carlo techniques. The study was performed varying the Cr content in the range of Cr and at temperatures within the miscibility gap, where phase separation occurs. The evolution of the phase-separation process was characterized in terms of precipitate shape, composition, density, and mean size. The results offer a description of phase separation in its early stage, which is hardly accessible to experiments and of key importance in understanding the change in mechanical properties of Fe-Cr alloys under thermal aging. The critical size for a stable precipitate was estimated from the simulation data in the framework of Gibbs's homogeneous nucleation theory. The obtained results are compared, whenever possible, with available experimental data and the reliability, as well as the shortcomings, of the applied method is discussed accordingly. Despite strong oversimplifications, the used model shows good agreement with experimental data.
Keywords
This publication has 35 references indexed in Scilit:
- Numerical prediction of thermodynamic properties of iron–chromium alloys using semi-empirical cohesive models: The state of the artJournal of Nuclear Materials, 2009
- Atomic scale analysis and phase separation understanding in a thermally aged Fe–20at.%Cr alloyJournal of Nuclear Materials, 2008
- The Fe–Cr system: atomistic modelling of thermodynamics and kinetics of phase transformationsComptes Rendus Physique, 2008
- Identification and characterization of Cr-rich precipitates in FeCr alloys: An atomistic studyComputational Materials Science, 2007
- Precipitation of the FeCu system: A critical review of atomic kinetic Monte Carlo simulationsJournal of Nuclear Materials, 2007
- A SANS investigation of the irradiation-enhanced α–α′ phases separation in 7–12 Cr martensitic steelsJournal of Nuclear Materials, 2003
- Atom Probe Studies of the Fe–Cr System and Stainless Steels Aged at Intermediate TemperatureMaterials Characterization, 2000
- Microstructural evolution of ferritic-martensitic steels irradiated in the fast breeder reactor PhénixJournal of Nuclear Materials, 1993
- Spinodal decomposition of iron-32 at.% chromium at 470°CScripta Metallurgica, 1982
- Void-swelling in irons and ferritic steelsJournal of Nuclear Materials, 1979