回转半径
材料科学
石墨烯
分子动力学
形状记忆合金
纳米复合材料
构象熵
聚合物
回转
熵(时间箭头)
复合材料
化学物理
纳米技术
化学工程
热力学
计算化学
分子
机械工程
化学
物理
有机化学
工程类
作者
Mohammad Reza Amini,Kourosh Hasheminejad,A. Montazeri
标识
DOI:10.1016/j.compositesa.2020.106055
摘要
We have probed the shape memory characteristics of Poly (D, L-lactic acid) matrix infused with graphene sheets via a combined numerical-experimental approach. Firstly, the shape memory behavior of the synthesized nanocomposite samples is inspected utilizing the DMA technique. It is demonstrated that despite the monotonic increase of the shape fixity ratio with the nanofiller loading, there exists a peak in the values of shape recovery at the optimum value of graphene content. In good agreement with our experimental measurements, molecular dynamics simulation approach yields the same optimum amount of graphene content. To explore the underlying mechanism, we further proceed to numerically analyze the variations of the conformational entropy, potential energy, and the radius of gyration during the whole procedure. The results reveal that while the shape fixity is significantly affected by both the potential energy and entropy changes, the shape recovery is only under the influence of the conformational entropy.
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