Accession Number:
AD1096609
Title:
High-Throughput Experimentally and Computationally Guided Discovery of Next Generation High-Temperature Shape Memory Alloys
Descriptive Note:
Technical Report,01 May 2016,30 Apr 2019
Corporate Author:
Harvard University Cambridge United States
Personal Author(s):
Report Date:
2019-07-31
Pagination or Media Count:
29.0
Abstract:
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.
Descriptors:
Subject Categories:
- Metallurgy and Metallography
- Physical Chemistry