The dynamical and thermodynamic phase stabilities of the stoichiometric compound CrN including different structural and magnetic configurations are comprehensively investigated using a first-principles density-functional-theory (DFT) plus U approach in conjunction with experimental measurements of the thermal expansion. Comparing DFT and DFT+U results with experimental data reveals that the treatment of electron correlations using methods beyond standard DFT is crucial. The non-magnetic face-centered cubic B1-CrN phase is both, elastically and dynamically unstable, even under high pressure, while CrN phases with non-zero local magnetic moments are predicted to be dynamically stable within the framework of the DFT+U scheme. Furthermore, the impact of different treatments for the exchange-correlation
In the Cu-Cr system, the formation of supersaturated solid solutions can be obtained by severe plastic deformation. Energy-dispersive synchrotron diffraction measurements on as-deformed Cu-Cr samples as a function of the applied strain during deformation confirm the formation of supersaturated solid solutions in this usually immiscible system. Due to evaluation of the diffraction data by a newly developed energydispersive RIETVELD-program, lattice parameter and microstructural parameters like domain size and microstrain are determined for as-deformed as well as annealed samples. The obtained information is used to deepen the understanding of the microstructural evolution and the formation of supersaturated solid solutions during severe plastic deformation. Complimentary transmission electron microscopy investigations are furthermore performed to characterize the evolving microstructure in detail. After annealing at elevated temperatures, the formed solid solutions decompose. Compared to the as-deformed state, an enhanced hardness combined with a high thermal stability is observed. Possible mechanisms for the enhanced hardness are discussed.
Published inActa Mater Volume 69 (2014), Pages 301-313 http://dx.
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