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Indirect interacting force between nanoparticles within athermal polymers: A Langevin dynamics study
Chemical Physics Letters ( IF 2.8 ) Pub Date : 16 October 2015 , DOI: 10.1016/j.cplett.2015.09.029
Zhi-Guang Duan , Min Huang , Wei Cui , Xue-Zheng Cao

Using molecular dynamics (MD) simulations, we have measured the indirect interacting force between surface-separated nanoparticles (NPs) within athermal polymers. Our simulations confirm the existence of repulsion between NPs with separation beyond the range of attractive forces. We demonstrate that both attractive and repulsive forces are monotonically strengthened by increasing polymer concentration and/or enlarging the size of NPs. The indirect interacting force as function of separation between NPs has no dependence on polymer chain length for semi-dilute polymers. Moreover, we have calculated the radial distribution functions of monomers surrounding NPs, the density profiles appear to corroborate the measured forces.

中文翻译:

非热聚合物中的纳米粒子之间的间接相互作用力:一项兰格文动力学研究

使用分子动力学(MD)模拟,我们测量了非热聚合物中表面分离的纳米颗粒(NPs)之间的间接相互作用力。我们的模拟结果证实了NP之间存在排斥力,其分离力超出了吸引力范围。我们证明,通过增加聚合物浓度和/或扩大NPs的大小,吸引力和排斥力都得到了单调增强。间接相互作用力作为NP之间分离的函数与半稀释聚合物的聚合物链长无关。此外,我们已经计算了围绕NP的单体的径向分布函数,密度分布似乎证实了测得的力。
更新日期:2017-01-31
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