| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1561208 | Computational Materials Science | 2013 | 7 Pages |
Abstract
⺠Tensile-deformed CNT intramolecular junctions are investigated by first-principles. ⺠Bond breaking begins at a seven-membered ring at a junction. ⺠The position of pentagon-heptagon defects at a junction governs tensile stress-strain relationships. ⺠The applicability of the AIREBO to tensile-deformed CNT junctions is discussed. ⺠The AIREBO leads to an inappropriate representation of stress-strain relationship.
Related Topics
Physical Sciences and Engineering
Engineering
Computational Mechanics
Authors
Yusuke Kinoshita, Motoyuki Murashima, Masaki Kawachi, Nobutada Ohno,