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Title: Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications

Abstract

To create and design novel structural materials with enhanced creep-resistance, fundamental studies have been conducted on high-entropy alloys (HEAs), using (1) thermodynamic calculations, (2) mechanical tests, (3) neutron diffraction, (4) characterization techniques, and (5) crystal-plasticity finite-element modeling (CPFEM), to explore future candidates for next-generation power plants. All the constituent binary and ternary systems of the Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems were thermodynamically modeled within the whole composition range. Comparisons between the calculated phase diagrams and literature data are in good agreement. Seven types of HEAs were fabricated from Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems. The Al xCrCuFeMnNi HEAs have disordered [face-centered cubic (FCC) + body-centered cubic (BCC)] crystal structures, not FCC or BCC single structure. Excessive alloying of the Al element results in the change of both microstructural and mechanical properties in Al xCoCrFeNi HEAs. There are mainly three structural features in Al xCoCrFeNi: (1) the morphology, (2) the volume fractions of the constitute phases, and (3) existing temperatures of all six phases. After homogenization, the Al 0.3CoCrFeNi material is a pure FCC solid solution. After aging at 700 °C for 500 hours, the optimal microstructure combinations, the FCC matrix, needle-like B2 phase within grains, and granular σ phase along grain boundary, ismore » achieved for Al 0.3CoCrFeNi. The cold-rolling process is utilized to reduce the grain size of Al 0.1CoCrFeNi and Al 0.3CoCrFeNi. The chemical elemental partitioning of FCC, BCC, B2, and σphases at different temperatures, before and after mechanical tests, in Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems are quantitatively characterized by both synchrotron X-ray diffraction, neutron diffraction with levitation, scanning electron microscopy (SEM), advanced atom probe tomography (APT), and transmission electron microscopy (TEM). In-situ neutron diffraction experiments were conducted to study the strengthening effect of B2 phase on tensile properties of Al 0.3CoCrFeNi HEAs directly. The results shows the creep behavior of Al 0.3CoCrFeNi is superior to conventional alloys, and the heat treatment introduces secondary B2 phase into the FCC matrix, which increase the yielding strength, decrease the ductility, diminish the serrated flow during compression tests at high temperatures. In summary, the outcomes of the development of the HEAs with creep resistance include: (1) Suitable candidates, for the application to boilers and steam and gas turbines at temperatures above 760 °C and a stress of 35 MPa. (2) Fundamental understanding on the precipitate stability and deformation mechanisms of both single-phase and precipitate-strengthened alloys at room and elevated temperatures, and (3) The demonstration of an integrated approach, coupling modeling [thermodynamic calculations and crystal-plasticity finite-element modeling (CPFEM)] and focused experiments, to identify HEAs that outperform conventional alloys for high-temperature applications, which will be applicable for the discovery and development of other high-temperature materials in the power-generating industry.« less

Authors:
 [1];  [2];  [2];  [1];  [1];  [1];  [1];  [1];  [1]
  1. Univ. of Tennessee, Knoxville, TN (United States)
  2. CompuTherm LLC, Madison, WI (United States)
Publication Date:
Research Org.:
Univ. of Tennessee, Knoxville, TN (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1337018
DOE Contract Number:  
FE0008855
Resource Type:
Technical Report
Country of Publication:
United States
Language:
English
Subject:
96 KNOWLEDGE MANAGEMENT AND PRESERVATION; 36 MATERIALS SCIENCE

Citation Formats

Liaw, Peter, Zhang, Fan, Zhang, Chuan, Wang, Gongyao, Xie, Xie, Diao, Haoyan, Kuo, Chih-Hsiang, An, Zhinan, and Hemphill, Michael. Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications. United States: N. p., 2016. Web. doi:10.2172/1337018.
Liaw, Peter, Zhang, Fan, Zhang, Chuan, Wang, Gongyao, Xie, Xie, Diao, Haoyan, Kuo, Chih-Hsiang, An, Zhinan, & Hemphill, Michael. Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications. United States. doi:10.2172/1337018.
Liaw, Peter, Zhang, Fan, Zhang, Chuan, Wang, Gongyao, Xie, Xie, Diao, Haoyan, Kuo, Chih-Hsiang, An, Zhinan, and Hemphill, Michael. Sat . "Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications". United States. doi:10.2172/1337018. https://www.osti.gov/servlets/purl/1337018.
@article{osti_1337018,
title = {Experimental and Computational Investigation of High Entropy Alloys for Elevated-Temperature Applications},
author = {Liaw, Peter and Zhang, Fan and Zhang, Chuan and Wang, Gongyao and Xie, Xie and Diao, Haoyan and Kuo, Chih-Hsiang and An, Zhinan and Hemphill, Michael},
abstractNote = {To create and design novel structural materials with enhanced creep-resistance, fundamental studies have been conducted on high-entropy alloys (HEAs), using (1) thermodynamic calculations, (2) mechanical tests, (3) neutron diffraction, (4) characterization techniques, and (5) crystal-plasticity finite-element modeling (CPFEM), to explore future candidates for next-generation power plants. All the constituent binary and ternary systems of the Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems were thermodynamically modeled within the whole composition range. Comparisons between the calculated phase diagrams and literature data are in good agreement. Seven types of HEAs were fabricated from Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems. The AlxCrCuFeMnNi HEAs have disordered [face-centered cubic (FCC) + body-centered cubic (BCC)] crystal structures, not FCC or BCC single structure. Excessive alloying of the Al element results in the change of both microstructural and mechanical properties in AlxCoCrFeNi HEAs. There are mainly three structural features in AlxCoCrFeNi: (1) the morphology, (2) the volume fractions of the constitute phases, and (3) existing temperatures of all six phases. After homogenization, the Al0.3CoCrFeNi material is a pure FCC solid solution. After aging at 700 °C for 500 hours, the optimal microstructure combinations, the FCC matrix, needle-like B2 phase within grains, and granular σ phase along grain boundary, is achieved for Al0.3CoCrFeNi. The cold-rolling process is utilized to reduce the grain size of Al0.1CoCrFeNi and Al0.3CoCrFeNi. The chemical elemental partitioning of FCC, BCC, B2, and σphases at different temperatures, before and after mechanical tests, in Al-Cr-Cu-Fe-Mn-Ni and Al-Co-Cr-Fe-Ni systems are quantitatively characterized by both synchrotron X-ray diffraction, neutron diffraction with levitation, scanning electron microscopy (SEM), advanced atom probe tomography (APT), and transmission electron microscopy (TEM). In-situ neutron diffraction experiments were conducted to study the strengthening effect of B2 phase on tensile properties of Al0.3CoCrFeNi HEAs directly. The results shows the creep behavior of Al0.3CoCrFeNi is superior to conventional alloys, and the heat treatment introduces secondary B2 phase into the FCC matrix, which increase the yielding strength, decrease the ductility, diminish the serrated flow during compression tests at high temperatures. In summary, the outcomes of the development of the HEAs with creep resistance include: (1) Suitable candidates, for the application to boilers and steam and gas turbines at temperatures above 760 °C and a stress of 35 MPa. (2) Fundamental understanding on the precipitate stability and deformation mechanisms of both single-phase and precipitate-strengthened alloys at room and elevated temperatures, and (3) The demonstration of an integrated approach, coupling modeling [thermodynamic calculations and crystal-plasticity finite-element modeling (CPFEM)] and focused experiments, to identify HEAs that outperform conventional alloys for high-temperature applications, which will be applicable for the discovery and development of other high-temperature materials in the power-generating industry.},
doi = {10.2172/1337018},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2016},
month = {7}
}