Nanoscale fluctuation of stacking fault energy strengthens multi-principal element alloys

Zongrui Pei; Markus Eisenbach; Peter K. Liaw; Mingwei Chen

doi:10.1016/j.jmst.2023.01.042

Nanoscale fluctuation of stacking fault energy strengthens multi-principal element alloys

Zongrui Pei, Markus Eisenbach, Peter K. Liaw, Mingwei Chen

Advanced Computing for Chemistry and Mat

Research output: Contribution to journal › Article › peer-review

2 Scopus citations

Abstract

Chemical randomness and the associated energy fluctuation are essential features of multi-principal element alloys (MPEAs). Due to these features, nanoscale stacking fault energy (SFE) fluctuation is a natural and independent contribution to strengthening MPEAs. However, existing models for conventional alloys (i.e., alloys with one principal element) cannot be applied to MPEAs. The extreme values of SFEs required by such models are unknown for MPEAs, which need to calculate the nanoscale volume relevant to the SFE fluctuation. In the present work, we developed an analytic model to evaluate the strengthening effect through the SFE fluctuation, profuse in MPEAs. The model has no adjustable parameters, and all parameters can be determined from experiments and ab initio calculations. This model explains available experimental observations and provides insightful guidance for designing new MPEAs based on the SFE fluctuation. It generally applies to MPEAs in random states and with chemical short-range order.

Original language	English
Pages (from-to)	218-225
Number of pages	8
Journal	Journal of Materials Science and Technology
Volume	158
DOIs	https://doi.org/10.1016/j.jmst.2023.01.042
State	Published - Sep 20 2023

Funding

The present work was sponsored by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Science and Engineering Division. This research used resources of the Oak Ridge Leadership Computing Facility, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC05-00OR22725. P.K.L. very much appreciates the supports from (1) the National Science Foundation (DMR-1611180 and 1809640) with program directors, Drs. J. Yang, G. Shiflet, and D. Farkas and (2) the US Army Research Office (W911NF-13-1-0438 and W911NF-19-2-0049) with program managers, Drs. M.P. Bakas, S.N. Mathaudhu, and D.M. Stepp. M.C. acknowledges the support of U.S. National Science Foundation under grant DMR-1804320.

Funders	Funder number
National Science Foundation	DMR-1804320, DMR-1611180, 1809640
U.S. Department of Energy
Army Research Office	W911NF-19-2-0049, W911NF-13-1-0438
Office of Science
Basic Energy Sciences
Division of Materials Sciences and Engineering	DE-AC05-00OR22725

Keywords

Chemical short-range order
Mechanism
Multi-principal element alloy
Nanoscale energy fluctuation
Staking fault energy

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10.1016/j.jmst.2023.01.042

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title = "Nanoscale fluctuation of stacking fault energy strengthens multi-principal element alloys",

abstract = "Chemical randomness and the associated energy fluctuation are essential features of multi-principal element alloys (MPEAs). Due to these features, nanoscale stacking fault energy (SFE) fluctuation is a natural and independent contribution to strengthening MPEAs. However, existing models for conventional alloys (i.e., alloys with one principal element) cannot be applied to MPEAs. The extreme values of SFEs required by such models are unknown for MPEAs, which need to calculate the nanoscale volume relevant to the SFE fluctuation. In the present work, we developed an analytic model to evaluate the strengthening effect through the SFE fluctuation, profuse in MPEAs. The model has no adjustable parameters, and all parameters can be determined from experiments and ab initio calculations. This model explains available experimental observations and provides insightful guidance for designing new MPEAs based on the SFE fluctuation. It generally applies to MPEAs in random states and with chemical short-range order.",

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author = "Zongrui Pei and Markus Eisenbach and Liaw, {Peter K.} and Mingwei Chen",

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AU - Pei, Zongrui

AU - Eisenbach, Markus

AU - Liaw, Peter K.

AU - Chen, Mingwei

PY - 2023/9/20

Y1 - 2023/9/20

N2 - Chemical randomness and the associated energy fluctuation are essential features of multi-principal element alloys (MPEAs). Due to these features, nanoscale stacking fault energy (SFE) fluctuation is a natural and independent contribution to strengthening MPEAs. However, existing models for conventional alloys (i.e., alloys with one principal element) cannot be applied to MPEAs. The extreme values of SFEs required by such models are unknown for MPEAs, which need to calculate the nanoscale volume relevant to the SFE fluctuation. In the present work, we developed an analytic model to evaluate the strengthening effect through the SFE fluctuation, profuse in MPEAs. The model has no adjustable parameters, and all parameters can be determined from experiments and ab initio calculations. This model explains available experimental observations and provides insightful guidance for designing new MPEAs based on the SFE fluctuation. It generally applies to MPEAs in random states and with chemical short-range order.

AB - Chemical randomness and the associated energy fluctuation are essential features of multi-principal element alloys (MPEAs). Due to these features, nanoscale stacking fault energy (SFE) fluctuation is a natural and independent contribution to strengthening MPEAs. However, existing models for conventional alloys (i.e., alloys with one principal element) cannot be applied to MPEAs. The extreme values of SFEs required by such models are unknown for MPEAs, which need to calculate the nanoscale volume relevant to the SFE fluctuation. In the present work, we developed an analytic model to evaluate the strengthening effect through the SFE fluctuation, profuse in MPEAs. The model has no adjustable parameters, and all parameters can be determined from experiments and ab initio calculations. This model explains available experimental observations and provides insightful guidance for designing new MPEAs based on the SFE fluctuation. It generally applies to MPEAs in random states and with chemical short-range order.

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Nanoscale fluctuation of stacking fault energy strengthens multi-principal element alloys

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