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The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces

by 1 and 2,*
1
Research Institute of Light Alloy, Central South University, Changsha 410083, China
2
Department of Mechanical Engineering, The Hong Kong Polytechnic University, Hung Hom, Kowloon, Hong Kong
*
Author to whom correspondence should be addressed.
Academic Editor: Antonios Kelarakis
Nanomaterials 2022, 12(13), 2157; https://doi.org/10.3390/nano12132157
Received: 26 May 2022 / Revised: 14 June 2022 / Accepted: 21 June 2022 / Published: 23 June 2022
The present work reports the interfacial behaviors and mechanical properties of AlCoCrFeNi high-entropy alloy (HEA) reinforced aluminum matrix composites (AMCs) based on first-principles calculations. It is found the stability of HEA-reinforced AMCs is strongly dependent on the local chemical compositions in the interfacial regions, i.e., those regions containing more Ni atoms (>25%) or fewer Al atoms (<20%) render more stable interfaces in the HEA-reinforced AMCs. It is calculated that the interfacial energy of Al(001)/Al20Co19Cr19Fe19Ni19(001) interfaces varies from −0.242 eV/Å2 to −0.192 eV/Å2, suggesting that the formation of interfaces at (100) atomic plane is energetically favorable. For those constituent alloy elements presented at the interfaces, Ni could stabilize the interface whereas Al tends to deteriorate the stability of interface. It is determined that although the HEA-reinforced AMCs have less yield strength compared to aluminum, their Young’s modulus is enhanced from 69 GPa for pure Al to 134 GPa. Meanwhile, the meaningful plasticity under tension could also be improved, which are related to the chemical compositions at the interfaces. The results presented in this work could facilitate the designs of compositions and interfacial behaviors of HEA-reinforced AMCs for structural applications. View Full-Text
Keywords: aluminum matrix composites; AlCoCrFeNi high-entropy alloy; interfacial behaviors; mechanical properties; first-principles calculations aluminum matrix composites; AlCoCrFeNi high-entropy alloy; interfacial behaviors; mechanical properties; first-principles calculations
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MDPI and ACS Style

Liu, Y.; Zheng, G. The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces. Nanomaterials 2022, 12, 2157. https://doi.org/10.3390/nano12132157

AMA Style

Liu Y, Zheng G. The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces. Nanomaterials. 2022; 12(13):2157. https://doi.org/10.3390/nano12132157

Chicago/Turabian Style

Liu, Yu, and Guangping Zheng. 2022. "The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces" Nanomaterials 12, no. 13: 2157. https://doi.org/10.3390/nano12132157

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