Regensburg 2010 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 7: Intermetallic Phases I

MM 7.2: Talk

Monday, March 22, 2010, 10:30–10:45, H5

No miscibility gap in Pt-Rh bulk alloys — •Sascha Maisel, Tobias Kerscher, and Stefan Müller — Universität Erlangen-Nürnberg, Lehrstuhl für Theoretische Physik 2, Staudtstr. 7, 91058 Erlangen, Germany

The phase diagram of Pt-Rh possesses an fcc-based solid solution that is stable over the whole concentration range for higher temperatures. However, for low temperatures (< 1000 K) a miscibility gap is deduced, merely from experiments on other alloys [1]. Our theoretical study comprises an ab-initio-based cluster-expansion in the framework of the UNCLE code [2]: We use input data from density-functional theory and subsequent Monte-Carlo simulations in order to account for temperature effects. Our results show that the predicted phase-separation does not occur. The resulting phase diagram will be discussed.
Supported by Deutsche Forschungsgemeinschaft
[1] B. Predel, Landolt-Börnstein, New Series, IV/5a, Springer 1991
[2] D. Lerch et al, Modelling Simul. Mater. Sci. Eng. 17, 055003 (2009)