Mechanical behavior of single-layer graphdiyne via supersonic micro-projectile impact

IF 9.9 2区材料科学 Q1 Engineering

Nano Materials Science Pub Date : 2022-12-01 DOI:10.1016/j.nanoms.2021.12.002

Kailu Xiao , Qiuyun Yin , Xianqian Wu , Chenguang Huang

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引用次数: 2

Abstract

The mechanical behavior of single-layer graphdiyne (SLGDY) subjected to high-velocity micro-ballistic impacts is analyzed by molecular dynamics (MD) simulations. The ballistic limits of SLGDY is obtained for the first time. The temperature deterioration effects of the impact resistance are also investigated. The results show that the ballistic limits can reach 75.4% of single-layer graphene (SLGR) at about 1/2 density, leading to approximately the same specific energy absorption (SEA) as SLGR. The ballistic limits of SLGDY and SLGR with single atomic thickness agree with the predictions of macroscopic penetration limits equations, implying the applicability of continuum penetration theories for two-dimensional (2D) materials. In addition, the dynamic responses involving stress wave propagation, conic deformation, and damage evolution are investigated to illuminate the mechanisms of the dynamic energy dissipation. The superior impact resistance of SLGDY and SLGR can be attributed to both the ultra-fast elastic and conic waves and the excellent deformation capabilities. This study provides a deep understanding of the impact behavior of SLGDY, indicating it is a promising protective material.

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超声速微弹丸冲击单层石墨烯的力学行为

采用分子动力学方法分析了单层石墨炔(SLGDY)在高速微弹道冲击下的力学行为。首次得到了SLGDY的弹道极限。研究了抗冲击性能的温度劣化效应。结果表明，在1/2密度下，其弹道极限可达到单层石墨烯(SLGR)的75.4%，比能吸收(SEA)与单层石墨烯(SLGR)基本相同。单原子厚度的SLGDY和SLGR的弹道极限与宏观侵穿极限方程的预测一致，表明连续统侵穿理论适用于二维材料。此外，还研究了应力波传播、圆锥变形和损伤演化的动力响应，阐明了动力能量耗散的机理。SLGDY和SLGR材料具有优异的抗冲击性能，这主要归功于其超高速弹性波和圆锥波以及优异的变形能力。该研究为SLGDY的冲击行为提供了深入的认识，表明它是一种很有前途的防护材料。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nano Materials Science Engineering-Mechanics of Materials

CiteScore

20.90

自引率

3.00%

发文量

294

审稿时长

9 weeks

期刊介绍： Nano Materials Science (NMS) is an international and interdisciplinary, open access, scholarly journal. NMS publishes peer-reviewed original articles and reviews on nanoscale material science and nanometer devices, with topics encompassing preparation and processing; high-throughput characterization; material performance evaluation and application of material characteristics such as the microstructure and properties of one-dimensional, two-dimensional, and three-dimensional nanostructured and nanofunctional materials; design, preparation, and processing techniques; and performance evaluation technology and nanometer device applications.