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arXiv 2102.05025cond-mat.mtrl-sci
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多壁碳纳米管增强铁基复合材料的理论与计算研究

Reinforcing Iron Metal Matrix Composite by Multi-Wall Carbon Nanotube: A Combined Theoretical and Computational Approach

Raashiq Ishraaq, Mahmudur Rashid, Shahriar Muhammad Nahid

摘要:

碳纳米管(CNT)增强金属基复合材料因其高承载能力而成为研究的热点。在单壁和多壁碳纳米管(MWCNT)中,后者由于其合成的经济可行性而被制造商和工程师用于制造复合材料。然而,在其工业应用之前,必须理解层数以及增强MWCNT的其他参数的影响。本文提出了一种新的理论方法来预测多壁碳纳米管增强铁基复合材料(MWCNT-Fe)的强度和刚度随多壁碳纳米管层数的变化规律,并通过一系列的分子动力学(MD)模拟验证了理论预测的正确性。我们的分析表明,每增加两层,复合材料的强度和刚度分别增加9.8%和7.2%,达到八层MWCNT,然后变得饱和。与以往的研究相比,我们还采用MD模拟研究了晶界对CNT增强铁基复合材料失效机制的影响。我们的调查表明,失效不是从基体-纤维界面开始,而是从晶界开始并与界面合并。本研究的结果不仅可以帮助工程师和制造商选择最佳的层状MWCNT来合成特定应用的复合材料,而且还为科学家提供了一种新的方法来模拟复合材料以预测所需的性能。

英文摘要:

Carbon nanotube (CNT) reinforced metal matrix composites have been the focus of researchers due to their high load-bearing capacity. Among single and multi-wall carbon nanotubes (MWCNT), the latter is preferred by manufacturers and engineers for making composites due to their economic feasibility of synthesizing. However, the effect of layer numbers along with other parameters of the reinforcing MWCNT must be understood before its industrial application. In this article, we developed a novel theoretical approach for predicting the variation of strength and stiffness of MWCNT reinforced iron composites (MWCNT-Fe) with the layer number of reinforcing MWCNT and validated the prediction with a series of Molecular dynamics (MD) simulation. Our analysis revealed that for every addition of two extra layers, the strength and stiffness of the composite increase 9.8% and 7.2% respectively up to eight layered MWCNT and then becomes saturated. We also employed MD simulations for investigating the effect of grain boundary on the failure mechanism of CNT reinforced iron composites in contrast to previous studies. Our investigations revealed that instead of the matrix-fiber interface, the failure was initiated from the grain boundary and merges with the interface. The results in this study will not only help engineers and manufacturers choose optimal layered MWCNT for synthesizing composite for a specific application but also provide scientists a new method to model composites for predicting desired properties.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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