α-α' phase separation in Fe-Cr alloys and its impact on mechanical properties: An atomistic study

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Abstract

In this work atomistic kinetic Monte Carlo is applied to simulate thermal ageing of binary Fe-Cr alloys, where a description of the atomic interactions is provided by semi-empirical interatomic potentials, fitted to density functional theory data. We performed our studies varying the Cr content in the range of 12-21 at.% Cr in the temperature range 600-900K. The evolution of the phase separation process is characterised in terms of density and mean size of the formed precipitates, allowing for the estimation of the critical size for stable precipitates. The obtained results are compared with experimental works.

Details

Original languageEnglish
Title of host publicationTackling Materials Complexities via Computational Science
Place of PublicationTallahassee, Florida, United States
Pages293-296
Volume1
Publication statusPublished - 27 Oct 2008
EventFourth International Conference on Multiscale Materials Modeling - The Department of Scientific Computing, Florida State University, Tallahassee, Florida, United States
Duration: 27 Oct 200831 Oct 2008

Conference

ConferenceFourth International Conference on Multiscale Materials Modeling
CountryUnited States
CityTallahassee, Florida
Period2008-10-272008-10-31

Keywords

  • Atomistic simulations, Fe-Cr, Precipitation, Ageing

ID: 191734