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MULTISCALE SIMULATION TO DETERMINE BRITTLE AND DUCTILE FRACTURE IN GRAPHENE SHEET - PowerPoint PPT Presentation


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Outline. ObjectivesIntroductionMethods/ Graphene SheetResultsConclusion/ Future Work. 2. Objectives. To understand the energetics of the brittle and ductile fracture in carbon nanotubes.To incorporate nudged elastic band method to calculate minimum energy path for crack propagation (brittle), bond rotation, and Stone-Wales defect (ductile). To determine the variation of activation energy barrier for crack propagation and Stone-Wales defect formation with increasing load. .

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