聚电解质
材料科学
电场
化学物理
聚合物
静电学
离子键合
纳米技术
分子动力学
执行机构
离子
复合材料
化学
计算化学
计算机科学
物理
有机化学
物理化学
量子力学
人工智能
作者
Prathamesh D. Raiter,Yuval Vidavsky,Meredith N. Silberstein
标识
DOI:10.1002/adfm.202006969
摘要
Abstract Multifunctionality in polymers facilitates their application in emerging technologies. Electrical fields are a preferred stimulus because of the speed and ease of application to bulk polymers. While a wide range of electrically triggered actuators are developed, and electrically controlled adhesion between gels is demonstrated, modification of bulk mechanical properties via electrical stimuli remains elusive. Polymers with covalently incorporated ionic charge (polyelectrolytes) should be well suited to achieving this goal since the mechanical properties depend on electrostatic interactions and these charges are intrinsically susceptible to electric fields. Molecular dynamics simulations are utilized here to investigate whether electric fields can modulate the mechanical properties of polyelectrolytes and to understand the governing mechanisms. Mechanical property modulation by electric field is found to be sensitive to the charge distribution—charges must be tightly attached to the polymer backbone, and responsivity is greater if a single backbone contains both positive and negative charges. The dominant mechanisms are reorientation and stretching of the polymer chains, which also elongate the ionic clusters to maintain strong electrostatic interactions throughout deformation. These insights are critical for future experimental realization of polymers with electric field regulated mechanical properties.
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