Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
7963321 | Journal of Nuclear Materials | 2018 | 7 Pages |
Abstract
A modified AIREBO potential was developed to simulate the effects of thermal annealing on the structure and physical properties of damaged graphite. AIREBO parameter modifications were made to reproduce Density Functional Theory interstitial results. These changes to the potential resulted in high-temperature annealing of the model, as measured by stored-energy reduction. These results show some resemblance to experimental high-temperature annealing results, and show promise that annealing effects in graphite are accessible with molecular dynamics and reactive potentials.
Related Topics
Physical Sciences and Engineering
Energy
Nuclear Energy and Engineering
Authors
Andrew Petersen, Victor Gillette,