The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy Alloys

Graphene, a remarkable two-dimensional material, enhances the mechanical properties of high-entropy alloys as a reinforcing phase. This study investigated the influence of vacancy defects in graphene on the strengthening effect of FeNiCrCoCu high-entropy alloy through molecular dynamics simulations....

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Main Authors: Xianhe Zhang, Hongyun Wang, Chunpei Zhang, Cun Zhang, Xuyao Zhang
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Nanomaterials
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Online Access:https://www.mdpi.com/2079-4991/15/15/1177
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author Xianhe Zhang
Hongyun Wang
Chunpei Zhang
Cun Zhang
Xuyao Zhang
author_facet Xianhe Zhang
Hongyun Wang
Chunpei Zhang
Cun Zhang
Xuyao Zhang
author_sort Xianhe Zhang
collection DOAJ
description Graphene, a remarkable two-dimensional material, enhances the mechanical properties of high-entropy alloys as a reinforcing phase. This study investigated the influence of vacancy defects in graphene on the strengthening effect of FeNiCrCoCu high-entropy alloy through molecular dynamics simulations. The findings reveal that vacancy defects diminish graphene’s strength, resulting in its premature failure. In tensile tests, graphene with defects lowers the yield stress of the composite, yet it retains the ability to impede dislocations. Conversely, graphene exhibits a more pronounced strengthening effect during compression. Specifically, when the deletion of C atoms is less than 1%, the impact is negligible; between 1% and 6%, the strengthening effect diminishes; and when it surpasses 6%, the strengthening effect virtually ceases to exist. This research offers a theoretical foundation for optimizing graphene-reinforced composites.
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institution Kabale University
issn 2079-4991
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publishDate 2025-07-01
publisher MDPI AG
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series Nanomaterials
spelling doaj-art-173641d6930b45d898d78de17587373f2025-08-20T04:00:54ZengMDPI AGNanomaterials2079-49912025-07-011515117710.3390/nano15151177The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy AlloysXianhe Zhang0Hongyun Wang1Chunpei Zhang2Cun Zhang3Xuyao Zhang4Hebei Research Center of the Basic Discipline Engineering Mechanics, Shijiazhuang Tiedao University, Shijiazhuang 050043, ChinaHebei Key Laboratory of Mechanics of Intelligent Materials and Structures, Shijiazhuang Tiedao University, Shijiazhuang 050043, ChinaHebei Key Laboratory of Mechanics of Intelligent Materials and Structures, Shijiazhuang Tiedao University, Shijiazhuang 050043, ChinaHebei Research Center of the Basic Discipline Engineering Mechanics, Shijiazhuang Tiedao University, Shijiazhuang 050043, ChinaState Key Laboratory for Turbulence and Complex Systems, Department of Mechanics and Engineering Science, College of Engineering, Peking University, Beijing 100871, ChinaGraphene, a remarkable two-dimensional material, enhances the mechanical properties of high-entropy alloys as a reinforcing phase. This study investigated the influence of vacancy defects in graphene on the strengthening effect of FeNiCrCoCu high-entropy alloy through molecular dynamics simulations. The findings reveal that vacancy defects diminish graphene’s strength, resulting in its premature failure. In tensile tests, graphene with defects lowers the yield stress of the composite, yet it retains the ability to impede dislocations. Conversely, graphene exhibits a more pronounced strengthening effect during compression. Specifically, when the deletion of C atoms is less than 1%, the impact is negligible; between 1% and 6%, the strengthening effect diminishes; and when it surpasses 6%, the strengthening effect virtually ceases to exist. This research offers a theoretical foundation for optimizing graphene-reinforced composites.https://www.mdpi.com/2079-4991/15/15/1177graphenehigh-entropy alloysvacancy defectsmolecular dynamicsdislocations
spellingShingle Xianhe Zhang
Hongyun Wang
Chunpei Zhang
Cun Zhang
Xuyao Zhang
The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy Alloys
Nanomaterials
graphene
high-entropy alloys
vacancy defects
molecular dynamics
dislocations
title The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy Alloys
title_full The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy Alloys
title_fullStr The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy Alloys
title_full_unstemmed The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy Alloys
title_short The Influence of the Defect Rate of Graphene on Its Reinforcing Capability Within High-Entropy Alloys
title_sort influence of the defect rate of graphene on its reinforcing capability within high entropy alloys
topic graphene
high-entropy alloys
vacancy defects
molecular dynamics
dislocations
url https://www.mdpi.com/2079-4991/15/15/1177
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