Graphene-reinforced aluminum matrix composites have drawn remarkable attention in several fields of high-tech industries, but the understanding of their material properties remains unclear. This work reports a first-principles study of interface binding nature, mechanical strength, and electronic properties of aluminum/graphene (Al/G) composites using superlattice models as varying graphene content. Our calculations reveal the weak binding between Al and graphene layers with no new chemical bonding at the interface and the gradual decrease in binding strength as increasing graphene content. While demonstrating the enhancement of mechanical strength by interposing graphene layers, the critical value of graphene content for keeping ductility is determined to be 14.7%. Atom-projected band structures and local density of states are analyzed to get an insight into electronic conductance of superlattices.

中文翻译：

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插入石墨烯片对Al/石墨烯超晶格机械和电子性能的影响

石墨烯增强铝基复合材料在高科技产业的多个领域引起了广泛关注，但对其材料性能的了解仍不清楚。这项工作报告了使用超晶格模型作为不同石墨烯含量对铝/石墨烯 (Al/G) 复合材料的界面结合性质、机械强度和电子性能进行的第一性原理研究。我们的计算表明，Al 和石墨烯层之间的结合较弱，界面处没有新的化学键合，并且随着石墨烯含量的增加，结合强度逐渐降低。在证明通过插入石墨烯层增强机械强度的同时，保持延展性的石墨烯含量的临界值为14.7%。分析原子投影能带结构和局部态密度，以深入了解超晶格的电子电导。