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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

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 compos...

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Autores principales: Liu, Yu, Zheng, Guangping
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268215/
https://www.ncbi.nlm.nih.gov/pubmed/35807993
http://dx.doi.org/10.3390/nano12132157
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author Liu, Yu
Zheng, Guangping
author_facet Liu, Yu
Zheng, Guangping
author_sort Liu, Yu
collection PubMed
description 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)/Al(20)Co(19)Cr(19)Fe(19)Ni(19)(001) interfaces varies from −0.242 eV/Å(2) to −0.192 eV/Å(2), 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.
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spelling pubmed-92682152022-07-09 The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces Liu, Yu Zheng, Guangping Nanomaterials (Basel) Article 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)/Al(20)Co(19)Cr(19)Fe(19)Ni(19)(001) interfaces varies from −0.242 eV/Å(2) to −0.192 eV/Å(2), 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. MDPI 2022-06-23 /pmc/articles/PMC9268215/ /pubmed/35807993 http://dx.doi.org/10.3390/nano12132157 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Liu, Yu
Zheng, Guangping
The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces
title The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces
title_full The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces
title_fullStr The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces
title_full_unstemmed The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces
title_short The Design of Aluminum-Matrix Composites Reinforced with AlCoCrFeNi High-Entropy Alloy Nanoparticles by First-Principles Studies on the Properties of Interfaces
title_sort design of aluminum-matrix composites reinforced with alcocrfeni high-entropy alloy nanoparticles by first-principles studies on the properties of interfaces
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9268215/
https://www.ncbi.nlm.nih.gov/pubmed/35807993
http://dx.doi.org/10.3390/nano12132157
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