To understand the role of aluminum-graphene (Al-Gr) interface, molecular dynamics simulations have been conducted to investigate the dynamic response of Al-Gr layered nanocomposites. The propagation law of shock waves is revealed and the dislocation nucleation at Al-Gr interface may dominate the plastic deformation mechanism at low impact velocities, which results in the propagation of stepped waveforms. In other words, Gr facilitates dislocation nucleation and its full development in each Al layer. At high impact velocities, Gr can hinder the forward propagation of BCC Al, although Gr can promote BCC nucleation. During shock release, Gr reduces the spall strength of the Al-Gr layered nanocomposites, and then the fracture is dominated by interface fracture, exhibiting single-layer or multi-layer delamination. Gr is found to undergo bending and folding, but Gr remains intact owing to its exceptionally high tensile strength and resistance to high temperatures. With the development of voids and cracks near the Al-Gr interface, the Al layer undergoes significant geometric deformation without internal fragmentation..

中文翻译：

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基于原子模拟的铝-石墨烯层状纳米复合材料在冲击压缩和释放下的动态响应

为了了解铝-石墨烯 (Al-Gr) 界面的作用，进行了分子动力学模拟来研究 Al-Gr 层状纳米复合材料的动态响应。揭示了冲击波的传播规律，并且Al-Gr界面处的位错形核可能主导低冲击速度下的塑性变形机制，从而导致阶梯波形的传播。换句话说，Gr 促进位错成核及其在每个 Al 层中的充分发展。在高冲击速度下，尽管 Gr 可以促进 BCC 成核，但 Gr 可以阻碍 BCC Al 的向前传播。在冲击释放过程中，Gr降低了Al-Gr层状纳米复合材料的剥落强度，断裂以界面断裂为主，表现出单层或多层分层。人们发现 Gr 会经历弯曲和折叠，但由于其极高的拉伸强度和耐高温性，Gr 仍保持完整。随着Al-Gr界面附近空隙和裂纹的发展，Al层发生显着的几何变形，但内部没有破碎。