Modeling and Simulation of Graphene Based Polymer Nanocomposites: Advances in the Last Decade
Modeling and Simulation of Graphene Based Polymer Nanocomposites: Advances in the Last Decade作者机构：Department of Mechanical and Construction Engineering Faculty of Engineering and Environment Northumbria University Newcastle UK
出 版 物：《Graphene》 (石墨烯（英文）)
年 卷 期：2016年第5卷第2期
页 面：96-142页
学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学]
主 题：Graphene Polymer Nanocomposites Modeling Simulation
摘 要：Modeling and simulation allow methodical variation of material properties beyond the capacity of experimental methods. The polymers are one of the most commonly used matrices of choice for composites and have found applications in numerous fields. The stiff and fragile structure of monolithic polymers leads to the innate cracks to cause fracture and therefore the engineering applications of monolithic polymers, requiring robust damage tolerance and high fracture toughness, are not ubiquitous. In addition, when “many-parts cling together to form polymers, a labyrinth of molecules results, which does not offer to electrons and phonons a smooth and continuous passageway. Therefore, the monolithic polymers are bad conductors of heat and electricity. However, it is well established that when polymers are embedded with suitable entities especially nano-fillers, such as metallic oxides, clays, carbon nanotubes, and other carbonaceous materials, their performance is propitiously improved. Among various additives, graphene has recently been employed as nano-filler to enhance mechanical, thermal, electrical, and functional properties of polymers. In this review, advances in the modeling and simulation of grapheme based polymer nanocomposites will be discussed in terms of graphene structure, topographical features, interfacial interactions, dispersion state, aspect ratio, weight fraction, and trade-off between variables and overall performance.
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