Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation
In crystallization, nanoparticle aggregation often leads to the formation of orderly structures, even single crystals. Why can nanoparticles form orderly structures and what is the mechanism dominating their orderly aggregation? These questions raise interesting research problems, but the occurrence...
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| Format: | Article |
| Language: | English |
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MDPI AG
2018-10-01
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| Series: | Crystals |
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| Online Access: | https://www.mdpi.com/2073-4352/8/11/405 |
| _version_ | 1828390817249624064 |
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| author | Xue Wang Chaofeng Hou Chengxiang Li Yongsheng Han |
| author_facet | Xue Wang Chaofeng Hou Chengxiang Li Yongsheng Han |
| author_sort | Xue Wang |
| collection | DOAJ |
| description | In crystallization, nanoparticle aggregation often leads to the formation of orderly structures, even single crystals. Why can nanoparticles form orderly structures and what is the mechanism dominating their orderly aggregation? These questions raise interesting research problems, but the occurrences that could answer them often fail to be directly observed, since the interaction among particles is invisible. Here, we report an attempt to discover the interaction and aggregation of building blocks through a computer simulation, focusing on the shape effect of building blocks on the aggregation. Four types of silver building blocks were selected, each consisting of (100) and (111) facets, but the ratio of these two facets was different. It was found that the area of facets played an important role in selecting the aggregation mode. The facets with a large area and high energy had a high possibility of aggregation. In addition, the effects of solvent viscosity and temperature were also investigated. High viscosity and low temperature enhanced the orderliness of aggregation. This paper reports a detailed view of the aggregation process of silver nanoparticles, which is expected to be helpful in understanding the structure evolution of materials in nonclassical crystallization. |
| first_indexed | 2024-12-10T06:52:50Z |
| format | Article |
| id | doaj.art-88d6675c1fdf4529a8bc187d9bb947ae |
| institution | Directory Open Access Journal |
| issn | 2073-4352 |
| language | English |
| last_indexed | 2024-12-10T06:52:50Z |
| publishDate | 2018-10-01 |
| publisher | MDPI AG |
| record_format | Article |
| series | Crystals |
| spelling | doaj.art-88d6675c1fdf4529a8bc187d9bb947ae2022-12-22T01:58:30ZengMDPI AGCrystals2073-43522018-10-0181140510.3390/cryst8110405cryst8110405Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics SimulationXue Wang0Chaofeng Hou1Chengxiang Li2Yongsheng Han3State Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, ChinaState Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, ChinaState Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, ChinaState Key Laboratory of Multiphase Complex Systems, Institute of Process Engineering, Chinese Academy of Sciences, Beijing 100190, ChinaIn crystallization, nanoparticle aggregation often leads to the formation of orderly structures, even single crystals. Why can nanoparticles form orderly structures and what is the mechanism dominating their orderly aggregation? These questions raise interesting research problems, but the occurrences that could answer them often fail to be directly observed, since the interaction among particles is invisible. Here, we report an attempt to discover the interaction and aggregation of building blocks through a computer simulation, focusing on the shape effect of building blocks on the aggregation. Four types of silver building blocks were selected, each consisting of (100) and (111) facets, but the ratio of these two facets was different. It was found that the area of facets played an important role in selecting the aggregation mode. The facets with a large area and high energy had a high possibility of aggregation. In addition, the effects of solvent viscosity and temperature were also investigated. High viscosity and low temperature enhanced the orderliness of aggregation. This paper reports a detailed view of the aggregation process of silver nanoparticles, which is expected to be helpful in understanding the structure evolution of materials in nonclassical crystallization.https://www.mdpi.com/2073-4352/8/11/405silver nanoparticleaggregation processfacet areasurface energycollision frequency |
| spellingShingle | Xue Wang Chaofeng Hou Chengxiang Li Yongsheng Han Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation Crystals silver nanoparticle aggregation process facet area surface energy collision frequency |
| title | Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation |
| title_full | Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation |
| title_fullStr | Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation |
| title_full_unstemmed | Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation |
| title_short | Shape-Dependent Aggregation of Silver Particles by Molecular Dynamics Simulation |
| title_sort | shape dependent aggregation of silver particles by molecular dynamics simulation |
| topic | silver nanoparticle aggregation process facet area surface energy collision frequency |
| url | https://www.mdpi.com/2073-4352/8/11/405 |
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