Atomic and electronic basis for the serrations of refractory high-entropy alloys
Abstract
Refractory high-entropy alloys present attractive mechanical properties, i.e., high yield strength and fracture toughness, making them potential candidates for structural applications. Understandings of atomic and electronic interactions are important to reveal the origins for the formation of high-entropy alloys and their structure-dominated mechanical properties, thus enabling the development of a predictive approach for rapidly designing advanced materials. Here, we report the atomic and electronic basis for the valence-electron-concentration-categorized principles and the observed serration behavior in high-entropy alloys and high-entropy metallic glass, including MoNbTaW, MoNbVW, MoTaVW, HfNbTiZr, and Vitreloy-1 MG (Zr41Ti14Cu12.5Ni10Be22.5). We find that the yield strengths of high-entropy alloys and high-entropy metallic glass are a power-law function of the electron-work function, which is dominated by local atomic arrangements. Further, a reliance on the bonding-charge density provides a groundbreaking insight into the nature of loosely bonded spots in materials. The presence of strongly bonded clusters and weakly bonded glue atoms imply a serrated deformation of high-entropy alloys, resulting in intermittent avalanches of defects movement.
- Authors:
-
- Northwestern Polytechnical Univ., Xi'an, Shaanxi (China). State Key Lab. of Solidification Processing; Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering
- Pennsylvania State Univ., University Park, PA (United States). Dept. of Materials Science and Engineering
- Northwestern Polytechnical Univ., Xi'an, Shaanxi (China). State Key Lab. of Solidification Processing
- U.S. Army Research Lab., Aberdeen Proving Ground, MD (United States). Weapons and Materials Research Directorate
- Univ. of Science and Technology, Beijing (China). State Key Lab. for Advanced Metals and Materials
- Univ. of Tennessee, Knoxville, TN (United States). Dept. of Materials Science and Engineering
- Wright-Patterson Air Force Base, OH (United States). Air Force Research Lab., Materials and Manufacturing Directorate
- Univ. of Illinois at Urbana-Champaign, Urbana, IL (United States). Dept. of Physics
- Publication Date:
- Research Org.:
- Univ. of Tennessee, Knoxville, TN (United States); Univ. of Illinois at Urbana-Champaign, IL (United States)
- Sponsoring Org.:
- USDOE Office of Fossil Energy (FE)
- OSTI Identifier:
- 1535104
- Grant/Contract Number:
- FE0008855; FE0011194; FE0024054
- Resource Type:
- Accepted Manuscript
- Journal Name:
- npj Computational Materials
- Additional Journal Information:
- Journal Volume: 3; Journal Issue: 1; Journal ID: ISSN 2057-3960
- Publisher:
- Nature Publishing Group
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; chemistry; materials science
Citation Formats
Wang, William Yi, Shang, Shun Li, Wang, Yi, Han, Fengbo, Darling, Kristopher A., Wu, Yidong, Xie, Xie, Senkov, Oleg N., Li, Jinshan, Hui, Xi Dong, Dahmen, Karin A., Liaw, Peter K., Kecskes, Laszlo J., and Liu, Zi-Kui. Atomic and electronic basis for the serrations of refractory high-entropy alloys. United States: N. p., 2017.
Web. doi:10.1038/s41524-017-0024-0.
Wang, William Yi, Shang, Shun Li, Wang, Yi, Han, Fengbo, Darling, Kristopher A., Wu, Yidong, Xie, Xie, Senkov, Oleg N., Li, Jinshan, Hui, Xi Dong, Dahmen, Karin A., Liaw, Peter K., Kecskes, Laszlo J., & Liu, Zi-Kui. Atomic and electronic basis for the serrations of refractory high-entropy alloys. United States. https://doi.org/10.1038/s41524-017-0024-0
Wang, William Yi, Shang, Shun Li, Wang, Yi, Han, Fengbo, Darling, Kristopher A., Wu, Yidong, Xie, Xie, Senkov, Oleg N., Li, Jinshan, Hui, Xi Dong, Dahmen, Karin A., Liaw, Peter K., Kecskes, Laszlo J., and Liu, Zi-Kui. Thu .
"Atomic and electronic basis for the serrations of refractory high-entropy alloys". United States. https://doi.org/10.1038/s41524-017-0024-0. https://www.osti.gov/servlets/purl/1535104.
@article{osti_1535104,
title = {Atomic and electronic basis for the serrations of refractory high-entropy alloys},
author = {Wang, William Yi and Shang, Shun Li and Wang, Yi and Han, Fengbo and Darling, Kristopher A. and Wu, Yidong and Xie, Xie and Senkov, Oleg N. and Li, Jinshan and Hui, Xi Dong and Dahmen, Karin A. and Liaw, Peter K. and Kecskes, Laszlo J. and Liu, Zi-Kui},
abstractNote = {Refractory high-entropy alloys present attractive mechanical properties, i.e., high yield strength and fracture toughness, making them potential candidates for structural applications. Understandings of atomic and electronic interactions are important to reveal the origins for the formation of high-entropy alloys and their structure-dominated mechanical properties, thus enabling the development of a predictive approach for rapidly designing advanced materials. Here, we report the atomic and electronic basis for the valence-electron-concentration-categorized principles and the observed serration behavior in high-entropy alloys and high-entropy metallic glass, including MoNbTaW, MoNbVW, MoTaVW, HfNbTiZr, and Vitreloy-1 MG (Zr41Ti14Cu12.5Ni10Be22.5). We find that the yield strengths of high-entropy alloys and high-entropy metallic glass are a power-law function of the electron-work function, which is dominated by local atomic arrangements. Further, a reliance on the bonding-charge density provides a groundbreaking insight into the nature of loosely bonded spots in materials. The presence of strongly bonded clusters and weakly bonded glue atoms imply a serrated deformation of high-entropy alloys, resulting in intermittent avalanches of defects movement.},
doi = {10.1038/s41524-017-0024-0},
journal = {npj Computational Materials},
number = 1,
volume = 3,
place = {United States},
year = {Thu Jun 29 00:00:00 EDT 2017},
month = {Thu Jun 29 00:00:00 EDT 2017}
}
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