Atomistic Study of Surfaces and Interfaces of Fe-Cr and Fe-Cr-Al Alloys

: Kokko K, Granroth S, Heinonen MH, Perala RE, Kilpi T, Kukk E, Punkkinen MPJ, Nurmi E, Ropo M, Kuronen A, Vitos L

: L Pentti Karjalainen, David A Porter, Seppo A Järvenpää

: 2013

: Materials Science Forum

: Materials Science Forum: Physical and Numerical Simulation of Materials Processing VII

: PHYSICAL AND NUMERICAL SIMULATION OF MATERIALS PROCESSING VII

: MATER SCI FORUM

: 762

: 728

: 733

: 6

: *****************

: 0255-5476

DOI: https://doi.org/10.4028/www.scientific.net/MSF.762.728

: http://www.scientific.net/MSF.762.728

Surface and interface properties of Fe-Cr, Fe-Al, and Fe-Cr-Al are studied using Exact Muffin-Tin Orbitals and Monte Carlo methods and with x-ray photoelectron and Auger electron techniques. Surface composition is investigated as a function of oxidation (heating) time. Hard x ray photoelectron spectroscopy (HAXPES) is used to scan non destructively the compositions below the surface. It is found that Cr boosts the Al segregation to the surface.