Predicting temperature-dependent ultimate strengths of body-centered-cubic (BCC) high-entropy alloys

Steingrimsson, Baldur; Fan, Xiaohui; Yang, Xiao; Gao, Michael C.; Zhang, Yong; Liaw, Peter K.

doi:10.1038/s41524-021-00623-4

Title: Predicting temperature-dependent ultimate strengths of body-centered-cubic (BCC) high-entropy alloys

Journal Article · 23 September 2021 · npj Computational Materials

DOI: https://doi.org/10.1038/s41524-021-00623-4 · OSTI ID:1847107

^[1]; Fan, Xiaohui ^[2]; Yang, Xiao ^[3];

^[4];

^[5];

^[2]

Imagars LLC, Hillsboro, OR (United States)
Univ. of Tennessee, Knoxville, TN (United States)
University of Chinese Academy of Sciences, Beijing (China)
National Energy Technology Lab. (NETL), Albany, OR (United States)
Univ. of Science and Technology, Beijing (China); Qinghai University, Xining (China); University of Science and Technology Beijing, Foshan (China)

This paper presents a bilinear log model, for predicting temperature-dependent ultimate strength of high-entropy alloys (HEAs) based on 21 HEA compositions. We consider the break temperature, T_break, introduced in the model, an important parameter for design of materials with attractive high-temperature properties, one warranting inclusion in alloy specifications. For reliable operation, the operating temperature of alloys may need to stay below T_break. We introduce a technique of global optimization, one enabling concurrent optimization of model parameters over low-temperature and high-temperature regimes. Furthermore, we suggest a general framework for joint optimization of alloy properties, capable of accounting for physics-based dependencies, and show how a special case can be formulated to address the identification of HEAs offering attractive ultimate strength. We advocate for the selection of an optimization technique suitable for the problem at hand and the data available, and for properly accounting for the underlying sources of variations.

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Research Organization:: National Energy Technology Laboratory (NETL), Pittsburgh, PA, Morgantown, WV, and Albany, OR (United States)

Sponsoring Organization:: USDOE Office of Fossil Energy (FE); US Army Research Office (ARO); State of Tennessee; Tennessee Higher Education Commission (THEC); National Science Foundation (NSF); US Department of the Navy

OSTI ID:: 1847107

Journal Information:: npj Computational Materials, Journal Name: npj Computational Materials Journal Issue: 1 Vol. 7; ISSN 2057-3960

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Predicting temperature-dependent ultimate strengths of body-centered-cubic (BCC) high-entropy alloys

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