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Reconciling Experimental and Theoretical Data in the Structural Analysis of Ti–Ta Shape-Memory Alloys

  • Special Issue: HTSMA 2018, Invited Paper
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Abstract

The structural characterization of the various phases that occur in Ti–Ta-based high-temperature shape-memory alloys is complicated by the presence of many competing phases as a function of composition. In this study, we resolve apparent inconsistencies between experimental data and theoretical calculations by suggesting that phase separation and segregation of undesired phases are not negligible in these alloys, and that finite temperature effects should be taken into account in the modeling of these materials. Specifically, we propose that the formation of the ω phase at low Ta content and of the σ phase at high Ta content implies a difference between the nominal alloy composition and the actual composition of the martensitic and austenitic phases. In addition, we show that temperature affects strongly the calculated values of the order parameters of the martensitic transformation occurring in Ti–Ta.

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Acknowledgements

This study has been supported by the Deutsche Forschungsgemeinschaft (DFG) within the research unit FOR 1766 (High Temperature Shape Memory Alloys, http://www.for1766.de, project number 200999873), as a collaboration between sub-projects TP1, TP2, and TP3. Part of the calculations have been carried out on the Gamma and Triolith clusters from the Swedish National Infrastructure for Computing (SNIC), and on the Beskow cluster from the Center for High Performance Computing (PDC).

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Authors and Affiliations

  1. Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universität Bochum, 44801, Bochum, Germany

    Alberto Ferrari, Tanmoy Chakraborty, Yury Lysogorskiy, Jutta Rogal & Ralf Drautz

  2. Applied Crystallography and Materials Science, Department of Earth and Environmental Sciences, Faculty of Geosciences, Ludwig-Maximilians-Universität, 80333, Munich, Germany

    Peter M. Kadletz, Kunyen Liao & Wolfgang W. Schmahl

  3. European Spallation Source ESS ERIC, P. O. Box 176, 22100, Lund, Sweden

    Peter M. Kadletz

  4. Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, IL, 61801, USA

    Tanmoy Chakraborty

  5. Institut für Werkstoffe, Ruhr-Universität Bochum, 44801, Bochum, Germany

    Kunyen Liao, Dennis Langenkämper, Yahya Motemani, Alexander Paulsen, Jan Frenzel, Alfred Ludwig & Christoph Somsen

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  1. Alberto Ferrari
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  2. Peter M. Kadletz
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  3. Tanmoy Chakraborty
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  9. Jan Frenzel
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  11. Alfred Ludwig
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Correspondence to Alberto Ferrari.

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Ferrari, A., Kadletz, P.M., Chakraborty, T. et al. Reconciling Experimental and Theoretical Data in the Structural Analysis of Ti–Ta Shape-Memory Alloys. Shap. Mem. Superelasticity 5, 6–15 (2019). https://doi.org/10.1007/s40830-018-00201-6

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  • DOI: https://doi.org/10.1007/s40830-018-00201-6

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