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首页> 外文期刊>Physical chemistry chemical physics: PCCP >Designing polymer nanocomposites with a semi-interpenetrating or interpenetrating network structure: toward enhanced mechanical properties
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Designing polymer nanocomposites with a semi-interpenetrating or interpenetrating network structure: toward enhanced mechanical properties

机译：用半互穿或互穿网络结构设计聚合物纳米复合材料：朝向增强的机械性能

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Using short polymer chains and through molecular dynamics simulation, we designed a well-dispersed nanoparticle (NP) network, which was then incorporated with the polymer matrix. First, we examined the effects of the dual-end grafted chains flexibility and density on the spatial distribution of this particular polymer nanocomposites system. By changing the interaction strength between the matrix polymer chains and the dual-end grafted chains in the semi-interpenetrating network system (NP network), we analyzed the interpenetration state between the linear polymer matrix and the NP network via calculating the total interfacial interaction energy. Moreover, the uniaxial tensile stress-strain and orientation behavior influenced by the interaction strength between the matrix polymer and the grafted chains were investigated for both the semi-interpenetrating network system and the interpenetrating network system (NP network and matrix network). Furthermore, for the interpenetrating network system, we modulated the integrity of the NP network ranging from 0% to 100%, corresponding to the gradual transition of the dispersion morphology of the NPs from the aggregation state to the uniform dispersion state, to examine the effect of the NP network on the tensile mechanical behavior. In particular, by simulating the dynamic shear process in the semi-interpenetrating network system, the composites were found to exhibit a lower non-linear behavior (the famous Payne effect), a higher storage modulus, and a lower tangent loss at large strain amplitude with increasing NP network integrity. In general, our results could provide a new approach for the design of high-performance polymer nanocomposites by taking advantage of the semi-interpenetrating or interpenetrating network reinforcing structure.
机译：使用短聚合物链和通过分子动力学模拟，我们设计了一种分散良好分散的纳米颗粒（NP）网络，然后将其与聚合物基质掺入。首先，我们检查了双端接枝链柔性和密度对该特定聚合物纳米复合材料系统的空间分布的影响。通过改变基体聚合物链和在半互穿网络系统（NP网络）的双末端接枝链之间的相互作用强度，我们通过计算总界面相互作用能量分析的线性聚合物基质和NP网络之间的相互渗透状态。此外，研究了由基质聚合物和接枝链之间的相互作用强度影响的单轴拉伸应力 - 应变和取向行为，用于半互穿网络系统和互穿网络系统（NP网络和矩阵网络）。此外，对于穿网络系统中，我们所调制的NP网络范围从0％到100％的完整性，对应于从聚集状态的NP的分散形态，以均匀分散状态的逐渐过渡，以检查效果NP网络对拉伸力学行为的影响。特别地，通过模拟半互穿网络系统中的动态剪切过程，发现复合材料表现出较低的非线性行为（着名的Payne效应），更高的储存模量，以及大应变幅度下的较低切线损耗随着NP网络完整性的增加。通常，我们的结果可以通过利用半互穿或互穿网络加强结构来提供一种新的高性能聚合物纳米复合材料的新方法。

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    Wang Wenhui; Hou Guanyi; Zheng Zijian; Wang Lu; Liu Jun; Wu Youping; Zhang Liqun; Lyulin Alexey V.;

  • 作者单位

    Beijing Univ Chem Technol Key Lab Beijing City Preparat &

    Proc Novel Polyme Beijing Peoples R China;

    Beijing Univ Chem Technol Key Lab Beijing City Preparat &

    Proc Novel Polyme Beijing Peoples R China;

    Beijing Univ Chem Technol Key Lab Beijing City Preparat &

    Proc Novel Polyme Beijing Peoples R China;

    Beijing Univ Chem Technol Key Lab Beijing City Preparat &

    Proc Novel Polyme Beijing Peoples R China;

    Beijing Univ Chem Technol Key Lab Beijing City Preparat &

    Proc Novel Polyme Beijing Peoples R China;

    Beijing Univ Chem Technol Key Lab Beijing City Preparat &

    Proc Novel Polyme Beijing Peoples R China;

    Beijing Univ Chem Technol Key Lab Beijing City Preparat &

    Proc Novel Polyme Beijing Peoples R China;

    Tech Univ Eindhoven Grp Theory Polymers &

    Soft Matter Dept Appl Phys NL-5600 MB Eindhoven Netherlands;

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  • 中图分类 物理学;化学;
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