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2017 Fiscal Year Final Research Report

Morphology of nanostructure based on transport phenomena of topological defects on curved surface

Research Project

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Project/Area Number 15K13835
Research Category

Grant-in-Aid for Challenging Exploratory Research

Allocation TypeMulti-year Fund
Research Field Materials/Mechanics of materials
Research InstitutionOsaka University

Principal Investigator

Nakatani Akihiro  大阪大学, 工学研究科, 教授 (50252606)

Research Collaborator LEI Xiao-Wen  福井大学, 学術研究院工学系部門, 講師 (50726148)
Project Period (FY) 2015-04-01 – 2018-03-31
Keywordsトポロジカル欠陥 / ナノ構造 / 形態形成論 / 分子動力学 / 連続体力学 / 曲率
Outline of Final Research Achievements

A model of computational mechanics for lattice defects is formulated based on finite deformation theory. Nucleation and motion of a pair of pentagon-heptagon defects from a Stone-Wales defects in a two-dimensional nano-carbon structure is analysed using molecular dynamics simulation, and a lattice defect model is improved. Local stability of the structure of topological defects is studied, and the transition energy on a minimum energy path from a stable state to another stable state is evaluated by using nudged elastic band method. According to the series of studies, how to design the dynamics of topological defects in a processes of deformation and structural changes (i.e. nucleation, motion and annihilation) is formulated in a viewpoint of transport phenomena.

Free Research Field

変形体力学

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Published: 2019-03-29  

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