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Revealing the Effects of Pore Size and Geometry on the Mechanical Properties of Graphene Nanopore Using the Atomistic Finite Element Method

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Acta Mechanica Solida Sinica 2019年第1期32卷 81-92页

作者： prapasiri pongprayoon Attaphon Chaimanatsakun Department of Chemistry Faculty of ScienceKasetsart UniversityChatuchakBangkok 10900Thailand Center for Advanced Studies in Nanotechnology for Chemical Food and Agricultural IndustriesKU Institute for Advanced StudiesKasetsart UniversityBangkok 10900Thailand Computational Biomodelling Laboratory for Agricultural Science and Technology(CELAST) Kasetsart UniversityBangkok 10900Thailand Department of Mechanical Engineering Faculty of Engineering at SrirachaKasetsart UniversityTungsukhlaSrirachaChonburi 20230Thailand

Graphene nanopore has been extensively employed in nanoscale sensing devices due to its outstanding *** understanding of its mechanical properties at nanoscale is crucial for sensing *** this work,the mechanical proper ties of graphene nanopore are t hus investigated using the atomistic finite element met *** graphene models with different pore shapes(circle(CR),horizontal rec tangle(RH),vertical rec tangle(RV)and square(SQ))in sub-5nm size,which could be successfully fabricated experimentally,have been studied *** force normal to a pore rim is applied to mimic the impact force due to a fluid *** expected,the strength of nanoholed graphene is pore size *** pore size results in the reduction in its str *** bet ween different pore shapes with comparable sizes,the order of pore st rength is CR>RH>RV>*** addition,two different corner st rue tu res(V-like or zigzag and C-like or armchair corners)are observed,where the V-like st rue ture causes higher tensile ***,we find that the highest tensile stress is produced at the corner in all *** finding suggests the corners as an origin of pore *** results of RH and RV highlight the impact of a direction of pore orientation on mechanical *** a long side of a pore along the zigzag direction gains more tensile stress,while aligning on an armchair side causes a *** only the pore geometry and size,but also the pore orientation is crucial for defining the mechanical properties of nanopores.

关键词： Nanopores Atomistic finite element Graphene nanopores Nanosensors

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