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Width Dependent Elastic Properties of Graphene Nanoribbons
George Kalosakas1, Nektarios N Lathiotakis2, Konstantinos Papagelis3
1Materials Science Department, University of Patras, GR-26504 Rio, Greece.
Materials (Basel, Switzerland)
|September 10, 2021
Summary
This study simulates graphene nanoribbon mechanics under tension, revealing how width affects elastic properties. Results show significant variations in Young
Area of Science:
- Materials Science
- Condensed Matter Physics
- Nanotechnology
Background:
- Graphene nanoribbons (GNRs) exhibit unique mechanical properties.
- Understanding their behavior under tension is crucial for nanoelectromechanical systems.
Purpose of the Study:
- To investigate the mechanical response of armchair and zigzag graphene nanoribbons under uniaxial tension.
- To analyze the influence of nanoribbon width on elastic parameters.
Main Methods:
- Numerical simulations using density functional methods.
- Atomistic simulations employing molecular dynamics with empirical force fields.
Main Results:
- Calculated stress-strain curves for various nanoribbon widths.
- Determined variations in Young's modulus, third-order elastic modulus, intrinsic strength, fracture strain, and Poisson's ratio with nanoribbon width.
Conclusions:
- Graphene nanoribbon mechanical properties are width-dependent.
- Both theoretical approaches provide insights into GNR elasticity and failure mechanisms.
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