Combinatorial Exploration and Mapping of Phase Transformation in a Ni–Ti–Co Thin Film Library

Al Hasan, Naila M.; Hou, Huilong; Gao, Tieren; Counsell, Jonathan; Sarker, Suchismita; Thienhaus, Sigurd; Walton, Edward; Decker, Peer; Mehta, Apurva; Ludwig, Alfred; Takeuchi, Ichiro

doi:10.1021/acscombsci.0c00097

Combinatorial Exploration and Mapping of Phase Transformation in a Ni–Ti–Co Thin Film Library

Journal Article · Tue Aug 04 00:00:00 EDT 2020 · ACS Combinatorial Science

DOI:https://doi.org/10.1021/acscombsci.0c00097· OSTI ID:1769351

^[1]; ^[1]; Gao, Tieren ^[1]; Counsell, Jonathan ^[2]; ^[3]; Thienhaus, Sigurd ^[4]; Walton, Edward ^[2]; Decker, Peer ^[4]; ^[3]; ^[4]; ^[1]

Univ. of Maryland, College Park, MD (United States)
Kratos Analytical Limited, Manchester (United Kingdom)
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Ruhr-Univ., Bochum (Germany)

Combinatorial synthesis and high-throughput characterization of a Ni–Ti–Co thin film materials library are reported for exploration of reversible martensitic transformation. The library was prepared by magnetron co-sputtering, annealed in vacuum at 500 °C without atmospheric exposure, and evaluated for shape memory behavior as an indicator of transformation. Composition, structure, and transformation behavior of the 177 pads in the library were characterized using high-throughput wavelength dispersive spectroscopy (WDS), X-ray photoelectron spectroscopy (XPS), X-ray diffraction (XRD), and four-point probe temperature-dependent resistance (R(T)) measurements. A new, expanded composition space having phase transformation with low thermal hysteresis and Co > 10 at. % is found. Unsupervised machine learning methods of hierarchical clustering were employed to streamline data processing of the large XRD and XPS data sets. Through cluster analysis of XRD data, we identified and mapped the constituent structural phases. Finally, composition–structure–property maps for the ternary system are made to correlate the functional properties to the local microstructure and composition of the Ni–Ti–Co thin film library.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States)

Sponsoring Organization:: National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-76SF00515

OSTI ID:: 1769351

Journal Information:: ACS Combinatorial Science, Journal Name: ACS Combinatorial Science Journal Issue: 11 Vol. 22; ISSN 2156-8952

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Ni-Ti-Co
cluster analysis
elastocaloric cooling
machine learning
property mapping
shape memory alloys

Combinatorial Exploration and Mapping of Phase Transformation in a Ni–Ti–Co Thin Film Library

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