High-Throughput Experimentally and Computationally Guided Discovery of Next Generation High-Temperature Shape Memory Alloys
Technical Report,01 May 2016,30 Apr 2019
Harvard University Cambridge United States
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We have developed a framework for the discovery of novel high-temperature shape memory alloys by combining high-throughput experimental techniques, high-throughput computational methods, and statistical analysismachine learning techniques. We have fabricated a novel resistance sensor array for the combinatorial screening of shape memory alloys, built a binary alloy database, and developed an efficient experiment design technique. An in-depth experimental-computational study on a broad range of Cu-Zr-X shape memory alloys shows that DFT simulations are a useful tool to guide the experimental development of shape memory alloys provided relevant energy terms are taken into account.
- Metallurgy and Metallography
- Physical Chemistry