The effect of time step, thermostat, and strain rate on ReaxFF simulations of mechanical failure in diamond, graphene, and carbon nanotube
Author:
Affiliation:
1. Advanced Materials and Processing Branch; NASA Langley Research Center; Hampton Virginia
2. Department of Mechanical Engineering-Engineering Mechanics; Michigan Technological University; Houghton Michigan
Funder
National Aeronautics and Space Administration
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Reference61 articles.
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5. Density functional calculations of response of single-walled armchair carbon nanotubes to axial tension
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