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Crystallographic Structure Analysis of a Ti–Ta Thin Film Materials Library Fabricated by Combinatorial Magnetron Sputtering
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    Crystallographic Structure Analysis of a Ti–Ta Thin Film Materials Library Fabricated by Combinatorial Magnetron Sputtering
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    • Peter M. Kadletz*
      Peter M. Kadletz
      Applied Crystallography and Materials Science, Department of Earth and Environmental Sciences, Faculty of Geosciences, Ludwig-Maximilians-Universität, 80333 München, Germany
      *E-mail: [email protected]
    • Yahya Motemani
      Yahya Motemani
      Werkstoffe der Mikrotechnik, Institut für Werkstoffe, Ruhr-Universität Bochum, 44801 Bochum, Germany
    • Joy Iannotta
      Joy Iannotta
      Applied Crystallography and Materials Science, Department of Earth and Environmental Sciences, Faculty of Geosciences, Ludwig-Maximilians-Universität, 80333 München, Germany
      More by Joy Iannotta
    • Steffen Salomon
      Steffen Salomon
      Werkstoffe der Mikrotechnik, Institut für Werkstoffe, Ruhr-Universität Bochum, 44801 Bochum, Germany
    • Chinmay Khare
      Chinmay Khare
      Werkstoffe der Mikrotechnik, Institut für Werkstoffe, Ruhr-Universität Bochum, 44801 Bochum, Germany
    • Lukas Grossmann
      Lukas Grossmann
      Applied Crystallography and Materials Science, Department of Earth and Environmental Sciences, Faculty of Geosciences, Ludwig-Maximilians-Universität, 80333 München, Germany
    • Hans Jürgen Maier
      Hans Jürgen Maier
      Institut für Werkstoffkunde (Materials Science), Leibniz Universität Hannover, 30823 Garbsen, Germany
    • Alfred Ludwig
      Alfred Ludwig
      Werkstoffe der Mikrotechnik, Institut für Werkstoffe, Ruhr-Universität Bochum, 44801 Bochum, Germany
    • Wolfgang W. Schmahl
      Wolfgang W. Schmahl
      Applied Crystallography and Materials Science, Department of Earth and Environmental Sciences, Faculty of Geosciences, Ludwig-Maximilians-Universität, 80333 München, Germany
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    ACS Combinatorial Science

    Cite this: ACS Comb. Sci. 2018, 20, 3, 137–150
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    https://doi.org/10.1021/acscombsci.7b00135
    Published January 22, 2018
    Copyright © 2018 American Chemical Society

    Abstract

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    Ti–Ta thin films exhibit properties that are of interest for applications as microactuators and as biomedical implants. A Ti–Ta thin film materials library was deposited at T = 25 °C by magnetron sputtering employing the combinatorial approach, which led to a compositional range of Ti87Ta13 to Ti14Ta86. Subsequent high-throughput characterization methods permitted a quick and comprehensive study of the crystallographic, microstructural, and morphological properties, which strongly depend on the chemical composition. SEM investigation revealed a columnar morphology having pyramidal, sharp tips with coarser columns in the Ti-rich and finer columns in the Ta-rich region. By grazing incidence X-ray diffraction four phases were identified, from Ta-lean to Ta-rich: ω phase, α″ martensite, β phase, and a tetragonal Ta-rich phase (Ta(tetr)). The crystal structure and microstructure were analyzed by Rietveld refinement and clear trends could be determined as a function of Ta-content. The lattice correspondences between β as the parent phase and α″ and ω as derivative phases were expressed in matrix form. The β ⇌ α″ phase transition shows a discontinuity at the composition where the martensitic transformation temperatures fall below room temperature (between 34 and 38 at. % Ta) rendering it first order and confirming its martensitic nature. A short study of the α″ martensite employing the Landau theory is included for a mathematical quantification of the spontaneous lattice strain at room temperature (ϵ̂max = 22.4(6) % for pure Ti). Martensitic properties of Ti–Ta are beneficial for the development of high-temperature actuators with actuation response at transformation temperatures higher than 100 °C.

    Copyright © 2018 American Chemical Society

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    Supporting Information

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    The Supporting Information is available free of charge on the ACS Publications website at DOI: 10.1021/acscombsci.7b00135.

    • Mapping of the chemical composition and thickness, refined structure parameters of α″, β, Ta(tetr), and ω, phase fractions of α″, β, Ta(tetr), and ω, structure models employed in the Rietveld refinement, atomic distribution in the ω phase, and illustration of residual stress in the materials library (PDF)

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    This article is cited by 11 publications.

    1. Harrison Sejoon Kim, Joy S. Lee, Si Joon Kim, Jaebeom Lee, Antonio T. Lucero, Myung Mo Sung, Jiyoung Kim. Realization of Spatially Addressable Library by a Novel Combinatorial Approach on Atomic Layer Deposition: A Case Study of Zinc Oxide. ACS Combinatorial Science 2019, 21 (6) , 445-455. https://doi.org/10.1021/acscombsci.9b00007
    2. C. Lauhoff, M. Nobach, A. Medvedev, T. Arold, C. Torrent, J. Elambasseril, P. Krooß, M. Stenzel, M. Weinmann, W. Xu, A. Molotnikov, T. Niendorf. Electron beam powder bed fusion of Ti-30Ta high-temperature shape memory alloy: microstructure and phase transformation behaviour. Virtual and Physical Prototyping 2024, 19 (1) https://doi.org/10.1080/17452759.2024.2358107
    3. Anusha Thampi V V, S. Ramanathan. Corrosion behavior of anodized Ti-Ta binary surface alloys in various physiological fluids for implant applications. Corrosion Science 2023, 219 , 111233. https://doi.org/10.1016/j.corsci.2023.111233
    4. Zhaoqi Hou, Jinyu Zhang, Peng Zhang, Kai Wu, Yaqiang Wang, Gang Liu, Guojun Zhang, Jun Sun. Alloying effects on the microstructure and mechanical properties of nanocrystalline Ti-based alloyed thin films. Nanoscale 2021, 13 (39) , 16649-16661. https://doi.org/10.1039/D1NR02089G
    5. Fang Yu, Yu Liu. First-Principles Calculations of High-Pressure Physical Properties of Ti0.5Ta0.5 Alloy. Symmetry 2020, 12 (5) , 796. https://doi.org/10.3390/sym12050796
    6. Alberto Ferrari, Alexander Paulsen, Dennis Langenkämper, David Piorunek, Christoph Somsen, Jan Frenzel, Jutta Rogal, Gunther Eggeler, Ralf Drautz. Discovery of ω -free high-temperature Ti-Ta- X shape memory alloys from first-principles calculations. Physical Review Materials 2019, 3 (10) https://doi.org/10.1103/PhysRevMaterials.3.103605
    7. Alexander Paulsen, Jan Frenzel, Dennis Langenkämper, Ramona Rynko, Peter Kadletz, Lukas Grossmann, Wolfgang W. Schmahl, Christoph Somsen, Gunther Eggeler. A Kinetic Study on the Evolution of Martensitic Transformation Behavior and Microstructures in Ti–Ta High-Temperature Shape-Memory Alloys During Aging. Shape Memory and Superelasticity 2019, 5 (1) , 16-31. https://doi.org/10.1007/s40830-018-00200-7
    8. Alberto Ferrari, Peter M. Kadletz, Tanmoy Chakraborty, Kunyen Liao, Dennis Langenkämper, Yahya Motemani, Alexander Paulsen, Yury Lysogorskiy, Jan Frenzel, Jutta Rogal, Alfred Ludwig, Christoph Somsen, Ralf Drautz, Wolfgang W. Schmahl. Reconciling Experimental and Theoretical Data in the Structural Analysis of Ti–Ta Shape-Memory Alloys. Shape Memory and Superelasticity 2019, 5 (1) , 6-15. https://doi.org/10.1007/s40830-018-00201-6
    9. Peer Decker, Jill Fortmann, Steffen Salomon, Philipp Krooß, Thomas Niendorf, Alfred Ludwig. Influence of Cr Alloying (1.5 to 5 at.%) on Martensitic Phase Transformation Temperatures in Co-Ni-Ga-Cr Thin Films. Shape Memory and Superelasticity 2019, 5 (1) , 106-112. https://doi.org/10.1007/s40830-019-00209-6
    10. Alberto Ferrari, Davide G. Sangiovanni, Jutta Rogal, Ralf Drautz. First-principles characterization of reversible martensitic transformations. Physical Review B 2019, 99 (9) https://doi.org/10.1103/PhysRevB.99.094107
    11. Tivadar Lohner, Benjamin Kalas, Peter Petrik, Zsolt Zolnai, Miklós Serényi, György Sáfrán. Refractive Index Variation of Magnetron-Sputtered a-Si1−xGex by “One-Sample Concept” Combinatory. Applied Sciences 2018, 8 (5) , 826. https://doi.org/10.3390/app8050826
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    ACS Combinatorial Science

    Cite this: ACS Comb. Sci. 2018, 20, 3, 137–150
    Click to copy citationCitation copied!
    https://doi.org/10.1021/acscombsci.7b00135
    Published January 22, 2018
    Copyright © 2018 American Chemical Society

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