Nanoscale insights in core–shell structure formation and property regulation of isotropic pyrolytic carbon materials

IF 11.2 1区 材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY
Caixiang Xiao, Fei Zhao, Xu Yang, Yuanxiao Zhao, Qiang Song, Qingliang Shen
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引用次数: 0

Abstract

Isotropic pyrolytic carbon (IPC) is renowned for its robust mechanical, biological, and tribological properties. However, the current mechanisms for modulating IPC microstructure are insufficient to achieve higher performance. Herein, this study provides nanoscale insights into the formation and property regulation of the core–shell structure of the IPC, integrating simulation and experimental approaches. Large-scale reactive molecular dynamics simulations elucidate the microstructural evolution and assembly processes from precursors to nanoparticles and intertwined graphene networks. Simulation process characterization enable versatile adjustment of IPC microstructural features and one-step deposition of hybrid structures with disordered cores and ordered shell layers. Compared to Pyrolytic carbon (PyC) with laminated graphene arrangement, the prepared hybrid structure enables rapid assembly of large-size standalone carbon components. Moreover, the hybrid architecture effectively improves the core–shell phase connection and significantly increases the interfacial shear stress within the intertwined graphene shell layers. Consequently, it greatly improves load transfer efficiency and enhances crack-bridging toughening effect. The endeavor to establish precise microstructure formation and property regulation in IPC materials promises to steer high-performance carbon materials toward distinct developmental trajectories.

Abstract Image

各向同性热解碳材料核壳结构形成和性能调控的纳米级见解
各向同性热解碳(IPC)因其强大的机械、生物和摩擦学特性而闻名于世。然而,目前调节 IPC 微结构的机制不足以实现更高的性能。本研究结合模拟和实验方法,从纳米尺度深入探讨了 IPC 核壳结构的形成和性能调控。大规模反应分子动力学模拟阐明了从前驱体到纳米颗粒和交织石墨烯网络的微观结构演变和组装过程。模拟过程表征可实现对 IPC 微观结构特征的多功能调整,并可一步沉积具有无序内核和有序外层的混合结构。与层状石墨烯排列的热解碳(PyC)相比,所制备的混合结构能够快速组装大尺寸的独立碳元件。此外,这种混合结构还能有效改善核壳相联系,并显著提高相互交织的石墨烯壳层内部的界面剪应力。因此,它大大提高了载荷传递效率,增强了裂缝桥接增韧效果。在 IPC 材料中建立精确的微观结构形成和性能调控的努力有望引导高性能碳材料走向独特的发展轨迹。
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来源期刊
Journal of Materials Science & Technology
Journal of Materials Science & Technology 工程技术-材料科学:综合
CiteScore
20.00
自引率
11.00%
发文量
995
审稿时长
13 days
期刊介绍: Journal of Materials Science & Technology strives to promote global collaboration in the field of materials science and technology. It primarily publishes original research papers, invited review articles, letters, research notes, and summaries of scientific achievements. The journal covers a wide range of materials science and technology topics, including metallic materials, inorganic nonmetallic materials, and composite materials.
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