تقرير
Exploring the Elastic Properties and Fracture Patterns of Me-Graphene Monolayers and Nanotubes through Reactive Molecular Dynamics Simulations
| العنوان: | Exploring the Elastic Properties and Fracture Patterns of Me-Graphene Monolayers and Nanotubes through Reactive Molecular Dynamics Simulations |
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| المؤلفون: | Junior, Marcelo L. Pereira, De Sousa, José. M., Brandão, Wjefferson H. S., Galvão, Douglas. S., Fonseca, Alexandre F., Junior, Luiz A. Ribeiro |
| سنة النشر: | 2023 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, 00-xx, J.2, I.6 |
| الوصف: | Me-graphene (MeG) is a novel two-dimensional (2D) carbon allotrope. Due to its attractive electronic and structural properties, it is important to study the mechanical behavior of MeG in its monolayer and nanotube topologies. In this work, we conducted fully atomistic reactive molecular dynamics simulations using the Tersoff force field to investigate their mechanical properties and fracture patterns. Our results indicate that Young's modulus of MeG monolayers is about 414 GPa and in the range of 421-483 GPa for the nanotubes investigated here. MeG monolayers and MeGNTs directly undergo from elastic to complete fracture under critical strain without a plastic regime. Comment: 10 pages, 01 table, and 05 figures |
| نوع الوثيقة: | Working Paper |
| DOI: | 10.1016/j.cplett.2023.140812 |
| URL الوصول: | http://arxiv.org/abs/2303.07518 |
| رقم الأكسشن: | edsarx.2303.07518 |
| قاعدة البيانات: | arXiv |
| DOI: | 10.1016/j.cplett.2023.140812 |
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