Molecular dynamics of coalescence and collisions of silver nanoparticles
We study how different relative orientations and impact velocity on the collision of two silver nanoparticles affect the first stages of the formation of a new, larger nanoparticle. In order to do this, we implemented a set of molecular dynamics simulations on the NVE ensemble on pairs of silver ico...
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| Format: | Article |
| Language: | English |
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Springer Netherlands & Kluwer Academic Publishers
2014
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| Online Access: | http://eprints.uanl.mx/8897/1/Molecular%20dynamics%20of%20coalescence%20and%20collisions%20of%20silver%20nanoparticles.pdf |
| _version_ | 1824370861379944448 |
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| author | Guevara Chapa, Enrique Mejía Rosales, Sergio |
| author_facet | Guevara Chapa, Enrique Mejía Rosales, Sergio |
| author_sort | Guevara Chapa, Enrique |
| collection | Repositorio Institucional |
| description | We study how different relative orientations and impact velocity on the collision of two silver nanoparticles affect the first stages of the formation of a new, larger nanoparticle. In order to do this, we implemented a set of molecular dynamics simulations on the NVE ensemble on pairs of silver icosahedral nanoparticles at several relative orientations, that allowed us to follow the dynamics of the first nanoseconds of the coalescence processes. Using bond angle analysis, we found that the initial relative orientation of the twin planes has a critical role on the final stability of the resulting particle, and on the details of the dynamics itself. When the original particles have their closest twins aligned to each other, the formed nanoparticle will likely stabilize its structure onto a particle with a defined center and a low surface-to-volume ratio, while nanoparticles with misaligned twins will promote the formation of highly defective particles with a high inner energy. |
| format | Article |
| id | eprints-8897 |
| institution | UANL |
| language | English |
| publishDate | 2014 |
| publisher | Springer Netherlands & Kluwer Academic Publishers |
| record_format | eprints |
| spelling | eprints-88972016-02-18T16:25:24Z http://eprints.uanl.mx/8897/ Molecular dynamics of coalescence and collisions of silver nanoparticles Guevara Chapa, Enrique Mejía Rosales, Sergio Q Ciencias en General QC Física We study how different relative orientations and impact velocity on the collision of two silver nanoparticles affect the first stages of the formation of a new, larger nanoparticle. In order to do this, we implemented a set of molecular dynamics simulations on the NVE ensemble on pairs of silver icosahedral nanoparticles at several relative orientations, that allowed us to follow the dynamics of the first nanoseconds of the coalescence processes. Using bond angle analysis, we found that the initial relative orientation of the twin planes has a critical role on the final stability of the resulting particle, and on the details of the dynamics itself. When the original particles have their closest twins aligned to each other, the formed nanoparticle will likely stabilize its structure onto a particle with a defined center and a low surface-to-volume ratio, while nanoparticles with misaligned twins will promote the formation of highly defective particles with a high inner energy. Springer Netherlands & Kluwer Academic Publishers 2014 Article PeerReviewed text en cc_by_nc_nd http://eprints.uanl.mx/8897/1/Molecular%20dynamics%20of%20coalescence%20and%20collisions%20of%20silver%20nanoparticles.pdf http://eprints.uanl.mx/8897/1.haspreviewThumbnailVersion/Molecular%20dynamics%20of%20coalescence%20and%20collisions%20of%20silver%20nanoparticles.pdf Guevara Chapa, Enrique y Mejía Rosales, Sergio (2014) Molecular dynamics of coalescence and collisions of silver nanoparticles. Journal of nanoparticle research, 16 (2757). pp. 1-10. ISSN 1388-0764 |
| spellingShingle | Q Ciencias en General QC Física Guevara Chapa, Enrique Mejía Rosales, Sergio Molecular dynamics of coalescence and collisions of silver nanoparticles |
| thumbnail | https://rediab.uanl.mx/themes/sandal5/images/online.png |
| title | Molecular dynamics of coalescence and collisions of silver nanoparticles |
| title_full | Molecular dynamics of coalescence and collisions of silver nanoparticles |
| title_fullStr | Molecular dynamics of coalescence and collisions of silver nanoparticles |
| title_full_unstemmed | Molecular dynamics of coalescence and collisions of silver nanoparticles |
| title_short | Molecular dynamics of coalescence and collisions of silver nanoparticles |
| title_sort | molecular dynamics of coalescence and collisions of silver nanoparticles |
| topic | Q Ciencias en General QC Física |
| url | http://eprints.uanl.mx/8897/1/Molecular%20dynamics%20of%20coalescence%20and%20collisions%20of%20silver%20nanoparticles.pdf |
| work_keys_str_mv | AT guevarachapaenrique moleculardynamicsofcoalescenceandcollisionsofsilvernanoparticles AT mejiarosalessergio moleculardynamicsofcoalescenceandcollisionsofsilvernanoparticles |