{"title":"碳纳米管与富勒烯C60纳米胶囊的计算模型","authors":"Gopukumar St","doi":"10.23880/nnoa-16000191","DOIUrl":null,"url":null,"abstract":"This work intends to develop procedures for the design of carbon nanocapsule with nanotube and fullerene C60. The simulations take place to show the basic and functional structures of carbon allotropes and its uses. The aim of the investigation is computational modelling of nanocapsule with the nanotube and fullerene C60. The nanocapsule consists of locking chamber and storage area. The computational modelling has done by Atomistix Virtual NanoLab. The step by step procedure is explained and executed. The result revealed that capping of carbon nanotube and carbon nanocapsule are simulated in an effective computational manner using Atomistix Virtual NanoLab.","PeriodicalId":299890,"journal":{"name":"Nanomedicine & Nanotechnology Open Access","volume":"51 1","pages":"0"},"PeriodicalIF":0.0000,"publicationDate":"1900-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Computational Modelling of Carbon Nanocapsule with Nanotube and Fullerene C60\",\"authors\":\"Gopukumar St\",\"doi\":\"10.23880/nnoa-16000191\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"This work intends to develop procedures for the design of carbon nanocapsule with nanotube and fullerene C60. The simulations take place to show the basic and functional structures of carbon allotropes and its uses. The aim of the investigation is computational modelling of nanocapsule with the nanotube and fullerene C60. The nanocapsule consists of locking chamber and storage area. The computational modelling has done by Atomistix Virtual NanoLab. The step by step procedure is explained and executed. The result revealed that capping of carbon nanotube and carbon nanocapsule are simulated in an effective computational manner using Atomistix Virtual NanoLab.\",\"PeriodicalId\":299890,\"journal\":{\"name\":\"Nanomedicine & Nanotechnology Open Access\",\"volume\":\"51 1\",\"pages\":\"0\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1900-01-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Nanomedicine & Nanotechnology Open Access\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.23880/nnoa-16000191\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Nanomedicine & Nanotechnology Open Access","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.23880/nnoa-16000191","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
Computational Modelling of Carbon Nanocapsule with Nanotube and Fullerene C60
This work intends to develop procedures for the design of carbon nanocapsule with nanotube and fullerene C60. The simulations take place to show the basic and functional structures of carbon allotropes and its uses. The aim of the investigation is computational modelling of nanocapsule with the nanotube and fullerene C60. The nanocapsule consists of locking chamber and storage area. The computational modelling has done by Atomistix Virtual NanoLab. The step by step procedure is explained and executed. The result revealed that capping of carbon nanotube and carbon nanocapsule are simulated in an effective computational manner using Atomistix Virtual NanoLab.
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