تقرير
Diversity of behavior after collisions of Sn and Si nanoparticles found using a new Density-Functional Tight-Binding model
| العنوان: | Diversity of behavior after collisions of Sn and Si nanoparticles found using a new Density-Functional Tight-Binding model |
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| المؤلفون: | Ruderman, Andrés, Oviedo, M. B., Paz, S. A., Leiva, E. P. M. |
| سنة النشر: | 2023 |
| المجموعة: | Condensed Matter |
| مصطلحات موضوعية: | Condensed Matter - Mesoscale and Nanoscale Physics |
| الوصف: | We present a new approach to studying nanoparticle collisions using Density Functional based Tight Binding (DFTB). A novel DFTB parameterisation has been developed to study the collision process of Sn and Si nanoparticles (NPs) using Molecular Dynamics (MD). While bulk structures were used as training sets, we show that our model is able to accurately reproduce the cohesive energy of the nanoparticles using Density Functional Theory (DFT) as a reference. A surprising variety of phenomena are revealed for the Si/Sn nanoparticle collisions, depending on the size and velocity of the collision: from core-shell structure formation to bounce-off phenomena. Comment: 13 pages, 15 figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2308.01250 |
| رقم الأكسشن: | edsarx.2308.01250 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |