{"title":"预测不同尺寸石墨烯血小板、碳和氮化硼纳米管效率参数的计算机模型:分子动力学模拟","authors":"Ashkan Farazin, M. Mohammadimehr","doi":"10.12989/CAC.2021.27.2.111","DOIUrl":null,"url":null,"abstract":"In the present work, an extensive study for predicting efficiency parameters (ji) of various simulated \nnanocomposites including Polymethyl methacrylate (PMMA) as matrix and different structures including various sizes of \ngraphene platelets (GPLs), single, double, and multi-walled carbon nanotubes (SWCNTs-DWCNTs-MWCNTs), and single and \ndouble-walled boron nitride nanotubes (SWBNNTs-DWBNNTs) are investigated. It should be stated that GPLs, carbon and \nboron nitride nanotubes (CNTs, BNNT) with different chiralities (5, 0), (5, 5), (10, 0), and (10, 10) as reinforcements are considered. In this research, molecular dynamics (MDs) method with Materials studio software is applied to examine the mechanical properties (Young's modulus) of simulated nanocomposite boxes and calculate i of each nanocomposite boxes. Then, it is noteworthy that by changing length (6.252, 10.584, and 21.173 nm) and width (7.137, 10.515, and 19.936) of GPLs, j1, j2, and j3 approximately becomes (0.101, 0.114, and 0.124), (1.15, 1.22, and 1.26), (1.04, 1.05, and 1.07) respectively. \nAfter that efficiency parameters of SWCNTs, DWCNTs, and MWCNTs are calculated and discussed separately. Finally \nefficiency parameters of SWBNNTs and DWBNNTs with different chiralities by PMMA as matrix are determined by MD and \ndiscussed separately. It is known that the accurate efficiency parameters helps a lot to calculate the properties of nanocomposite analytically. In particular, the obtained results from this research can be used for analytical work based on the extended rule of mixture (ERM) in bending, buckling and vibration analysis of structure in future study.","PeriodicalId":50625,"journal":{"name":"Computers and Concrete","volume":"7 1","pages":"111"},"PeriodicalIF":2.9000,"publicationDate":"2021-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"5","resultStr":"{\"title\":\"Computer modeling to forecast accurate of efficiency parameters of different size of graphene platelet, carbon, and boron nitride nanotubes: A molecular dynamics simulation\",\"authors\":\"Ashkan Farazin, M. Mohammadimehr\",\"doi\":\"10.12989/CAC.2021.27.2.111\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In the present work, an extensive study for predicting efficiency parameters (ji) of various simulated \\nnanocomposites including Polymethyl methacrylate (PMMA) as matrix and different structures including various sizes of \\ngraphene platelets (GPLs), single, double, and multi-walled carbon nanotubes (SWCNTs-DWCNTs-MWCNTs), and single and \\ndouble-walled boron nitride nanotubes (SWBNNTs-DWBNNTs) are investigated. It should be stated that GPLs, carbon and \\nboron nitride nanotubes (CNTs, BNNT) with different chiralities (5, 0), (5, 5), (10, 0), and (10, 10) as reinforcements are considered. In this research, molecular dynamics (MDs) method with Materials studio software is applied to examine the mechanical properties (Young's modulus) of simulated nanocomposite boxes and calculate i of each nanocomposite boxes. Then, it is noteworthy that by changing length (6.252, 10.584, and 21.173 nm) and width (7.137, 10.515, and 19.936) of GPLs, j1, j2, and j3 approximately becomes (0.101, 0.114, and 0.124), (1.15, 1.22, and 1.26), (1.04, 1.05, and 1.07) respectively. \\nAfter that efficiency parameters of SWCNTs, DWCNTs, and MWCNTs are calculated and discussed separately. Finally \\nefficiency parameters of SWBNNTs and DWBNNTs with different chiralities by PMMA as matrix are determined by MD and \\ndiscussed separately. It is known that the accurate efficiency parameters helps a lot to calculate the properties of nanocomposite analytically. In particular, the obtained results from this research can be used for analytical work based on the extended rule of mixture (ERM) in bending, buckling and vibration analysis of structure in future study.\",\"PeriodicalId\":50625,\"journal\":{\"name\":\"Computers and Concrete\",\"volume\":\"7 1\",\"pages\":\"111\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2021-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"5\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computers and Concrete\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.12989/CAC.2021.27.2.111\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computers and Concrete","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.12989/CAC.2021.27.2.111","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"COMPUTER SCIENCE, INTERDISCIPLINARY APPLICATIONS","Score":null,"Total":0}
Computer modeling to forecast accurate of efficiency parameters of different size of graphene platelet, carbon, and boron nitride nanotubes: A molecular dynamics simulation
In the present work, an extensive study for predicting efficiency parameters (ji) of various simulated
nanocomposites including Polymethyl methacrylate (PMMA) as matrix and different structures including various sizes of
graphene platelets (GPLs), single, double, and multi-walled carbon nanotubes (SWCNTs-DWCNTs-MWCNTs), and single and
double-walled boron nitride nanotubes (SWBNNTs-DWBNNTs) are investigated. It should be stated that GPLs, carbon and
boron nitride nanotubes (CNTs, BNNT) with different chiralities (5, 0), (5, 5), (10, 0), and (10, 10) as reinforcements are considered. In this research, molecular dynamics (MDs) method with Materials studio software is applied to examine the mechanical properties (Young's modulus) of simulated nanocomposite boxes and calculate i of each nanocomposite boxes. Then, it is noteworthy that by changing length (6.252, 10.584, and 21.173 nm) and width (7.137, 10.515, and 19.936) of GPLs, j1, j2, and j3 approximately becomes (0.101, 0.114, and 0.124), (1.15, 1.22, and 1.26), (1.04, 1.05, and 1.07) respectively.
After that efficiency parameters of SWCNTs, DWCNTs, and MWCNTs are calculated and discussed separately. Finally
efficiency parameters of SWBNNTs and DWBNNTs with different chiralities by PMMA as matrix are determined by MD and
discussed separately. It is known that the accurate efficiency parameters helps a lot to calculate the properties of nanocomposite analytically. In particular, the obtained results from this research can be used for analytical work based on the extended rule of mixture (ERM) in bending, buckling and vibration analysis of structure in future study.
期刊介绍:
Computers and Concrete is An International Journal that focuses on the computer applications in be considered suitable for publication in the journal.
The journal covers the topics related to computational mechanics of concrete and modeling of concrete structures including
plasticity
fracture mechanics
creep
thermo-mechanics
dynamic effects
reliability and safety concepts
automated design procedures
stochastic mechanics
performance under extreme conditions.