Using spatial cross-correlation image analysis to characterize the influence of strain rate on plastic damage in molecular dynamics simulations

2017 ◽  
Vol 25 (7) ◽  
pp. 075010
Author(s):  
D Li ◽  
B J Reich ◽  
D W Brenner
Keyword(s):  
Molecular Dynamics ◽  
Image Analysis ◽  
Strain Rate ◽  
Molecular Dynamics Simulations ◽  
Cross Correlation ◽  
Plastic Damage ◽  
Correlation Image ◽  
Dynamics Simulations

Molecular Dynamics Simulations and Continuum Modeling of Temperature and Strain Rate Dependent Fracture Strength of Graphene With Vacancy Defects

2014 ◽  
Vol 81 (8) ◽  
Author(s):  
M. A. N. Dewapriya ◽  
R. K. N. D. Rajapakse
Keyword(s):  
Molecular Dynamics ◽  
Fracture Mechanics ◽  
Strain Rate ◽  
Molecular Dynamics Simulations ◽  
Fracture Strength ◽  
Atomistic Model ◽  
Vacancy Defects ◽  
Rate Dependent ◽  
Defective Graphene ◽  
Dynamics Simulations

We investigated the temperature and strain rate dependent fracture strength of defective graphene using molecular dynamics and an atomistic model. This atomistic model was developed by introducing the influence of strain rate and vacancy defects into the kinetics of graphene. We also proposed a novel continuum based fracture mechanics framework to characterize the temperature and strain rate dependent strength of defective sheets. The strength of graphene highly depends on vacancy concentration, temperature, and strain rate. Molecular dynamics simulations, which are generally performed under high strain rates, exceedingly overpredict the strength of graphene at elevated temperatures. Graphene sheets with random vacancies demonstrate a singular stress field as in continuum fracture mechanics. Molecular dynamics simulations on the crack propagation reveal that the energy dissipation rate indicates proportionality with the strength. These findings provide a remarkable insight into the fracture strength of defective graphene, which is critical in designing experimental and instrumental applications.

Sign in / Sign up

Export Citation Format

Share Document