تقرير
Dynamics and Structural Transformations of Carbon Onion-Like under High-Velocity Impacts
| العنوان: | Dynamics and Structural Transformations of Carbon Onion-Like under High-Velocity Impacts |
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| المؤلفون: | Júnior, M. L. Pereira, da Cunha, W. F., Júnior, R. T. de Sousa, Nzeb, G. D. Amvame, Galvão, D. S., Júnior, L. A. Ribeiro |
| سنة النشر: | 2021 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, 00-xx, J.2, I.6 |
| الوصف: | Carbon nano-onions (CNO) are multi-shell fullerenes. In the present work, we used fully atomistic reactive (ReaxFF) molecular dynamics simulations to study the dynamics and structural transformations of CNO structures under high-velocity impacts against a fixed and rigid substrate. We considered single and multi-shell CNO (up to six shells) and at different impact velocities (from 2 up to 7 Km/s). Our results indicated three regimes formed after the CNO impact: slightly deformed CNO (quasi-elastic collision, below 2.0 Km/s), collapsed CNO (inelastic collisions, between 3.0 and 5.0 Km/s) forming a diamondoid-like core, and fragmented CNO yielding linear atomic carbon chains (above 5.0 Km/s). We also discussed the dynamical reconfiguration of carbon-carbon bonds during the collision process. The impact of CNO against the substrate yielded $sp^3$-like bond types for all the used initial velocities. At intermediate velocities (between 3.0 and 5.0 Km/s), the inelastic collision forms diamondoid-like cores by converting a substantial quantity of $sp^2$ bonds into $sp^3$ ones. In the high velocities regime, the total number of $sp^1$, $sp^2$, and $sp^3$ bonds tend to be similar. Comment: 18 pages and 07 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2109.06834 |
| رقم الأكسشن: | edsarx.2109.06834 |
| قاعدة البيانات: | arXiv |
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