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Surface Stress and Surface Tension in Polymeric Networks
ACS Macro Letters ( IF 5.1 ) Pub Date : 2018-01-04 00:00:00 , DOI: 10.1021/acsmacrolett.7b00812
Heyi Liang 1 , Zhen Cao 1 , Zilu Wang 1 , Andrey V Dobrynin 1
Affiliation  

Understanding of how surface properties could change upon deformation is of paramount importance for controlling adhesion, friction, and lubrication of soft polymeric materials (i.e., networks and gels). Here, we use a combination of the theoretical calculations and coarse-grained molecular dynamics simulations to study surface stress dependence on deformation in films made of soft and rigid polymeric networks. Simulations have shown that films of polymeric networks could demonstrate surface properties of both polymer melts and elastic solids depending on their deformation. In particular, at small film deformations the film surface stress ϒ is equal to the surface tension obtained at zero film strains, γ0, and surface properties of networks are similar to those of polymer melts. The surface stress begins to show a strain dependence when the film deformation ratio λ approaches its maximum possible value λmax corresponding to fully stretched network strands without bond deformations. In the entire film deformation range the normalized surface stress ϒ(λ)/γ0 is a universal function of the ratio λ/λmax. Analysis of the simulation data at large film deformations points out that the significant increase in the surface stress can be ascribed to the onset of the bond deformation. In this deformation regime network films behave as elastic solids.

中文翻译:

聚合物网络中的表面应力和表面张力

了解表面性质如何在变形后发生变化对于控制软聚合物材料(即网络和凝胶)的粘附、摩擦和润滑至关重要。在这里,我们结合理论计算和粗粒度分子动力学模拟来研究由软硬聚合物网络制成的薄膜的表面应力对变形的依赖性。模拟表明,聚合物网络薄膜可以根据其变形表现出聚合物熔体和弹性固体的表面特性。特别是,在薄膜变形较小时,薄膜表面应力 ϒ 等于在零薄膜应变下获得的表面张力 γ 0,并且网络的表面性质类似于聚合物熔体的表面性质。当薄膜变形比 λ 接近其最大可能值 λ max时,表面应力开始显示出应变依赖性,这对应于完全拉伸的网络链而没有键变形。在整个薄膜变形范围内,归一化表面应力 ϒ(λ)/γ 0是比率 λ/λ max的通用函数。对大薄膜变形模拟数据的分析指出,表面应力的显着增加可归因于粘合变形的开始。在这种变形状态下,网络薄膜表现为弹性固体。
更新日期:2018-01-04
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