Structural design optimization of carbon nanomaterials with defects

2016 Fiscal Year Final Research Report

• Project/Area Number: 15K21485
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Materials/Mechanics of materials; Nanostructural physics
• Research Institution: Toyota Technological Institute
• Principal Investigator: SHI JINXING 豊田工業大学, 工学(系)研究科(研究院), ポストドクトラル研究員 (30744669)
• Project Period (FY): 2015-04-01 – 2017-03-31
• Keywords: ナノ炭素材料 / 形状最適設計 / 構造最適設計 / 数値解析

Outline of Final Research Achievements

In this study, we carried out structural design optimization of graphene sheets (GSs) in terms of stiffness maximization and fundamental frequency maximization problems considering topological defects. We constructed continuum frame models of GSs based on the molecular mechanics method at first. Then, we performed shape design optimization of GSs based on a developed free-form optimization method for frame structures. In the shape design optimization, we used the compliance or fundamental frequency as objective function, and theoretically derived shape gradient function for maximizing the objective function to obtain the optimal shapes of GSs. However, the obtained optimal shapes only consist of hexagonal carbon rings, which do not satisfy the principle of minimum energy. Hence, by introducing topological defects, we carried out structural optimization of GSs to generate their stable structures using a combination of the Phase-Field-Crystal method and molecular dynamics simulation.

Free Research Field

設計工学　計算力学