石墨烯
材料科学
复合材料
分子动力学
纳米复合材料
模数
氧化物
钢筋
平面的
复合数
连续介质力学
剪切模量
剪切(地质)
纳米技术
机械
计算化学
物理
冶金
化学
计算机图形学(图像)
计算机科学
作者
James L. Suter,Maxime Vassaux,Peter V. Coveney
标识
DOI:10.1002/adma.202302237
摘要
Using very large-scale classical molecular dynamics, the mechanics of nano-reinforcement of graphene-based nanocomposites are examined. Simulations show that significant quantities of large, defect-free, and predominantly flat graphene flakes are required for successful enhancement of materials properties in excellent agreement with experimental and proposed continuum shear-lag theories. The critical lengths for enhancement are approximately 500 nm for graphene and 300 nm and for graphene oxide (GO). The reduction of Young's modulus in GO results in a much smaller enhancement of the composite's Young's modulus. The simulations reveal that the flakes should be aligned and planar for optimal reinforcement. Undulations substantially degrade the enhancement of materials properties.
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