Predictive multiphase evolution in Al-containing high-entropy alloys
Abstract
The ability to predict and understand phases in high-entropy alloys (HEAs) is still being debated, and primarily true predictive capabilities derive from the known thermodynamics of materials. The present work demonstrates that prior work using high-throughput first-principles calculations may be further utilized to provide direct insight into the temperature- and composition-dependent phase evolution in HEAs, particularly Al-containing HEAs with a strengthening multiphase microstructure. Using a simple model with parameters derived from first-principles calculations, we reproduce the major features associated with Al-containing phases, demonstrating a generalizable approach for exploring potential phase evolution where little experimental data exists. Neutron scattering, in situ microscopy, and calorimetry measurements suggest that our high-throughput Monte Carlo technique captures both qualitative and quantitative features for both intermetallic phase formation and microstructure evolution at lower temperatures. This study provides a simple approach to guide HEA development, including ordered multi-phase HEAs, which may prove valuable for structural applications.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Advanced Research Systems, Macungie, PA (United States)
- Univ. of Tennessee, Knoxville, TN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
- OSTI Identifier:
- 1490584
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Nature Communications
- Additional Journal Information:
- Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Santodonato, Louis J., Liaw, Peter K., Unocic, Raymond R., Bei, Hongbin, and Morris, James R. Predictive multiphase evolution in Al-containing high-entropy alloys. United States: N. p., 2018.
Web. doi:10.1038/s41467-018-06757-2.
Santodonato, Louis J., Liaw, Peter K., Unocic, Raymond R., Bei, Hongbin, & Morris, James R. Predictive multiphase evolution in Al-containing high-entropy alloys. United States. https://doi.org/10.1038/s41467-018-06757-2
Santodonato, Louis J., Liaw, Peter K., Unocic, Raymond R., Bei, Hongbin, and Morris, James R. Tue .
"Predictive multiphase evolution in Al-containing high-entropy alloys". United States. https://doi.org/10.1038/s41467-018-06757-2. https://www.osti.gov/servlets/purl/1490584.
@article{osti_1490584,
title = {Predictive multiphase evolution in Al-containing high-entropy alloys},
author = {Santodonato, Louis J. and Liaw, Peter K. and Unocic, Raymond R. and Bei, Hongbin and Morris, James R.},
abstractNote = {The ability to predict and understand phases in high-entropy alloys (HEAs) is still being debated, and primarily true predictive capabilities derive from the known thermodynamics of materials. The present work demonstrates that prior work using high-throughput first-principles calculations may be further utilized to provide direct insight into the temperature- and composition-dependent phase evolution in HEAs, particularly Al-containing HEAs with a strengthening multiphase microstructure. Using a simple model with parameters derived from first-principles calculations, we reproduce the major features associated with Al-containing phases, demonstrating a generalizable approach for exploring potential phase evolution where little experimental data exists. Neutron scattering, in situ microscopy, and calorimetry measurements suggest that our high-throughput Monte Carlo technique captures both qualitative and quantitative features for both intermetallic phase formation and microstructure evolution at lower temperatures. This study provides a simple approach to guide HEA development, including ordered multi-phase HEAs, which may prove valuable for structural applications.},
doi = {10.1038/s41467-018-06757-2},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {Tue Oct 30 00:00:00 EDT 2018},
month = {Tue Oct 30 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
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Solid Solution or Intermetallics in a High-Entropy Alloy
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Mechanical performance of the Al x CoCrCuFeNi high-entropy alloy system with multiprincipal elements
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Works referencing / citing this record:
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Figures / Tables found in this record: