Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions: The (pre)martensitic transition in Ni2MnGa. UCSB-MPG Workshop on Inorganic Materials for Energy Conversion, Storage and Conservation, UCLA Lake Arrowhead Conference Center, CA, USA (2008)
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Importance of magnetism for the thermal expansion of transition metals: An ab initio study. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: A first principle determination of phase transitions in magnetic shape memory alloys. Multiscale approach to alloys: Advances and challenges, Stockholm, Sweden (2007)
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Theory meets industry. The impact of density-functional calculation on materials science, Vienna, Austria (2007)
Grabowski, B.; Hickel, T.; Neugebauer, J.: Accuracy and error bars of DFT calculated thermodynamic properties for elementary metals. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)
Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Determination of symmetry-reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)
Hickel, T.; Grabowski, B.; Neugebauer, J.; Neumann, B.; Neumann, K.-U.; Ziebeck, K. R. A.: Temperature dependent properties of the Heusler alloy Ni2+xMn1-xGa. International Workshop on Ab initio Description of Iron and Steel (ADIS2006), Status and future challenges, Ringberg Castle, Germany (2006)
Hickel, T.; Grabowski, B.; Neumann, K.; Neumann, K.-U.; Ziebeck, K. R. A.; Neugebauer, J.: Temperature dependent properties of Ni-rich Ni2MnGa. Materials Research Society fall meeting, Boston, MA, USA (2005)
Grabowski, B.: Towards ab initio assisted materials design: DFT based thermodynamics up to the melting point. Dissertation, University of Paderborn, Paderborn, Germany (2009)
The full potential of energy materials can only be exploited if the interplay between mechanics and chemistry at the interfaces is well known. This leads to more sustainable and efficient energy solutions.
In this project, we aim to enhance the mechanical properties of an equiatomic CoCrNi medium-entropy alloy (MEA) by interstitial alloying. Carbon and nitrogen with varying contents have been added into the face-centred cubic structured CoCrNi MEA.