Graphyne nano-origami

• Grant number: 19/02062-0
• Support Opportunities: Scholarships in Brazil - Scientific Initiation
• Start date: May 01, 2019
• End date: June 30, 2020
• Field of knowledge: Physical Sciences and Mathematics - Physics - Condensed Matter Physics
• Principal Investigator: Alexandre Fontes da Fonseca
• Grantee: Matheus Yudi Maruyama
• Host Institution: Instituto de Física Gleb Wataghin (IFGW). Universidade Estadual de Campinas (UNICAMP). Campinas , SP, Brazil

Abstract

Origami is an old Japanese art of folding. Although well studied in its geometrical aspects, origami structures have been, recently, considered in applications in Engineering because of their discovered special mechanical properties. Due to the great interest in building 3D nanostructures, there are several studies of how to make nano-origamis (NOs) from combinations of 1D and 2D nanostructures. Here, we propose a computational atomistic study of the structure and some mechanical properties of graphyne and graphdiyne nanostructures folded and/or cut in the form of origamis and/or kirigamis, according to models shown in the literature. Methods of classical molecular dynamics, with current reactive potentials, will be used to determine the structure and some mechanical and thermal properties of graphyne NOs.