Rethinking interphase representations for modeling viscoelastic properties for polymer nanocomposites
Rethinking interphase representations for modeling viscoelastic properties for polymer nanocomposites
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DOI：
10.1016/j.mtla.2019.100277
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发表时间：
2019-06-01
期刊：
影响因子：
3.4
通讯作者：
Brinson, L. Catherine
中科院分区：
文献类型：
--
作者：
Li, Xiaolin;Zhang, Min;Brinson, L. Catherine
粘弹性的数值模拟是发展聚合物纳米复合材料的结构-性能关系的关键。虽然人们认识到，改变聚合物区域附近的填料颗粒，界面，显着有助于增强复合材料的性能，界面性能的空间分布很少考虑由于缺乏局部性能测量。近年来，原子力显微镜（AFM）技术已开始使局部性质的测量的界面相。鉴于原子力显微镜数据的可用性越来越高，在这项工作中，提出了一种新的界面表示建模的聚合物纳米复合材料的粘弹性。所提出的界面表示通过两个单独的分量-单体界面梯度和多体复合效应来解开界面行为，其函数形式通过数据挖掘来学习。建议的界面表示集成到一个有限元模型，和每个组件的界面表示的效果进行了数值研究。此外，所提出的相间表示的优点被证明通过比较先前的模拟工作，其中只考虑一个统一的有效属性的相间。此外，建议的相间表示是用来解决逆问题的推断空间分布的局部属性使用贝叶斯优化为基础的推理实验数据。
Numerical modeling of viscoelastic properties is critical to developing the structure-property relationship of polymer nanocomposites. While it is recognized that the altered polymer region near filler particles, the interphase, significantly contributes to enhancements of composite properties, the spatial distribution of interphase properties is rarely considered due to lack of local property measurements. In recent years, the Atomic Force Microscopy (AFM) technique has begun to make local property measurements of the interphase available. In the light of the increasing availability of AFM data, in this work a new interphase representation for modeling the viscoelastic properties of polymer nanocomposites is proposed. The proposed interphase representation disentangles the interphase behavior by two separate components - single-body interphase gradient and multi-body compound effect, whose functional forms are learned via data mining. The proposed interphase representation is integrated into a Finite Element model, and the effects of each component of the interphase representations are numerically studied. In addition, the advantages of the proposed interphase representation are demonstrated by comparison to a prior simulation work in which only a uniform effective property of the interphase is considered. Moreover, the proposed interphase representation is utilized to solve the inverse problem of inferring spatial distribution of local properties using Bayesian optimization-based inference on experimental data.