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Non-Stoichiometry and Calphad Modeling of Frank-Kasper Phases
Chimie Métallurgique des Terres Rares, Institut de Chimie et des Matériaux Paris-Est, 2-8 rue Henri Dunant, Thiais Cedex 94320, France
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Received: 24 July 2012; in revised form: 28 August 2012 / Accepted: 28 August 2012 / Published: 10 September 2012
Abstract: One of the many singularities of Frank-Kasper phases is their ability to accommodate extremely large composition ranges by atom mixing on the different sites of the crystal structures. This phenomenon will be reviewed in the present paper with special emphasis on the experimental demonstration of this phenomenon, the theoretical calculation of disordered structures and the modeling of these phases.
Keywords: Frank-Kasper; non-stoichiometry; Rietveld method; DFT calculations; Calphad
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Joubert, J.-M.; Crivello, J.-C. Non-Stoichiometry and Calphad Modeling of Frank-Kasper Phases. Appl. Sci. 2012, 2, 669-681.
Joubert J-M, Crivello J-C. Non-Stoichiometry and Calphad Modeling of Frank-Kasper Phases. Applied Sciences. 2012; 2(3):669-681.
Joubert, Jean-Marc; Crivello, Jean-Claude. 2012. "Non-Stoichiometry and Calphad Modeling of Frank-Kasper Phases." Appl. Sci. 2, no. 3: 669-681.