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Understanding Heterogeneous Metal-mediated Interfacial Enhancement Mechanisms in Graphene-embedded Copper Matrix Composites
Applied Surface Science ( IF 6.7 ) Pub Date : 2021-03-01 , DOI: 10.1016/j.apsusc.2020.148524
Qian Zhang , Zonglin Yi , Ying Liu , Peide Han , Jun Mei

Abstract Graphene-embedded Cu matrix composites (GE-CMCs), as one of typical versatile functional composite materials, have great potential to be widely utilized in many engineering fields. Unfortunately, one of major issues is the weak interfacial interactions between metallic matrix and carbonaceous graphene, leading to the rapid mechanical failure. In this work, some heterogeneous alloying elements, including Ni, Ti, Mn and Al, are proposed to be incorporated into Cu matrix to re-construct graphene-Cu interface with the attempt to improve tensile properties of GE-CMCs via first-principles calculations. Meanwhile, a systematical investigation is given on the atomic orientation arrangement states to identify the preferable conditions, which reveal that alloying Mn element with Cu matrix with an equal atomic arrangement over the graphene-Cu interface delivers the most robust interfacial bonding ability, thus resulting in obvious strength (364 %) and elongation increasement (415 %) in comparison with the pristine graphene-Cu interface in GE-CMCs. Furthermore, the electronic structures and the underlying deformation and enhancement mechanisms of Mn-alloyed GE-CMCs are analyzed to verify the presence of enhanced Mn-C bonds over graphene-Cu interfaces as the external strain increases. It is expected that this work opens an avenue to understand the interfacial enhancement mechanisms and offers an effective interfacial optimization strategy via tuning the atomic arrangement orientation states to achieve high-performance tensile performance for GE-CMCs or other graphene-metal composites.

中文翻译:

了解石墨烯嵌入铜基复合材料中的异质金属介导的界面增强机制

摘要 石墨烯包埋的铜基复合材料(GE-CMCs)作为典型的多功能功能复合材料之一,在众多工程领域具有广泛应用的潜力。不幸的是,主要问题之一是金属基体和碳质石墨烯之间的微弱界面相互作用,导致快速机械故障。在这项工作中,提出了一些异质合金元素,包括 Ni、Ti、Mn 和 Al,被引入到 Cu 基体中以重建石墨烯-Cu 界面,试图通过第一性原理计算提高 GE-CMCs 的拉伸性能. 同时,对原子取向排列状态进行了系统研究,以确定优选条件,这表明在石墨烯-Cu 界面上以相同原子排列的 Cu 基体合金化 Mn 元素提供最强大的界面结合能力,从而与原始石墨烯相比具有明显的强度 (364 %) 和伸长率 (415 %) 增加GE-CMC 中的 -Cu 界面。此外,分析了锰合金 GE-CMC 的电子结构和潜在的变形和增强机制,以验证随着外部应变的增加,石墨烯-Cu 界面上存在增强的 Mn-C 键。
更新日期:2021-03-01
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