lammps-graphene/notes/poster_plan

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2020-12-23 22:12:07 +00:00
Poster Plan
Title:
Effect of Grain Boundaries on Mechanical Properties of Graphene
Intro
(1) extreme properties of graphene
(2) CVD contains grain boundaries
(3) Rasool findings re: misorientation angle
(4) Goal is to study mechanical properties of bicrystal graphene using simple model
Motivation
Rasool's graph
Computational Details
Describe method - MD
Potential - SEDREBO, REBO
Samples
- construction
- schematic
- list all samples used
Goal
- Young's Modulus ( theta )
- Fracture Strength ( theta )
- Formation Energy (normalized) ( theta )
Results
- Young's Modulus ( theta )
- Fracture Strength ( theta )
- Formation Energy (normalized) ( theta )