{"title":"石墨烯抗拉强度与温度和裂纹尺寸的关系:来自分子动力学模拟数据的解析表达式","authors":"G. Giannopoulos, Giorgos S Avntoulla","doi":"10.1177/2397791417712845","DOIUrl":null,"url":null,"abstract":"Graphene, the strongest known material, is significantly influenced by the loading conditions, the environmental temperature and the existence of internal imperfections and discontinuities such as cracks. Higher temperatures lead to higher atomic kinetic energies and easier failure of graphene while even a one atom vacancy may cause a dramatic reduction in its strength. The aim of the present study is to describe analytical expressions which associate the tensile strength of the monolayer graphene with the temperature and the length of a possible centrally positioned, straight crack. For this reason, molecular dynamics simulations are conducted to compute all the necessary numerical data. Then special equations are developed by fitting the computed data into appropriate non-linear regression surfaces. The proposed non-linear analytical equations are capable of straightforwardly predicting the strength of graphene given the chirality, the temperature and the size of the center crack under investigation.","PeriodicalId":44789,"journal":{"name":"Proceedings of the Institution of Mechanical Engineers Part N-Journal of Nanomaterials Nanoengineering and Nanosystems","volume":null,"pages":null},"PeriodicalIF":4.2000,"publicationDate":"2017-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"4","resultStr":"{\"title\":\"Tensile strength of graphene versus temperature and crack size: Analytical expressions from molecular dynamics simulation data\",\"authors\":\"G. Giannopoulos, Giorgos S Avntoulla\",\"doi\":\"10.1177/2397791417712845\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"Graphene, the strongest known material, is significantly influenced by the loading conditions, the environmental temperature and the existence of internal imperfections and discontinuities such as cracks. Higher temperatures lead to higher atomic kinetic energies and easier failure of graphene while even a one atom vacancy may cause a dramatic reduction in its strength. The aim of the present study is to describe analytical expressions which associate the tensile strength of the monolayer graphene with the temperature and the length of a possible centrally positioned, straight crack. For this reason, molecular dynamics simulations are conducted to compute all the necessary numerical data. Then special equations are developed by fitting the computed data into appropriate non-linear regression surfaces. The proposed non-linear analytical equations are capable of straightforwardly predicting the strength of graphene given the chirality, the temperature and the size of the center crack under investigation.\",\"PeriodicalId\":44789,\"journal\":{\"name\":\"Proceedings of the Institution of Mechanical Engineers Part N-Journal of Nanomaterials Nanoengineering and Nanosystems\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.2000,\"publicationDate\":\"2017-06-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"4\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Proceedings of the Institution of Mechanical Engineers Part N-Journal of Nanomaterials Nanoengineering and Nanosystems\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1177/2397791417712845\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"NANOSCIENCE & NANOTECHNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Proceedings of the Institution of Mechanical Engineers Part N-Journal of Nanomaterials Nanoengineering and Nanosystems","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1177/2397791417712845","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"NANOSCIENCE & NANOTECHNOLOGY","Score":null,"Total":0}
Tensile strength of graphene versus temperature and crack size: Analytical expressions from molecular dynamics simulation data
Graphene, the strongest known material, is significantly influenced by the loading conditions, the environmental temperature and the existence of internal imperfections and discontinuities such as cracks. Higher temperatures lead to higher atomic kinetic energies and easier failure of graphene while even a one atom vacancy may cause a dramatic reduction in its strength. The aim of the present study is to describe analytical expressions which associate the tensile strength of the monolayer graphene with the temperature and the length of a possible centrally positioned, straight crack. For this reason, molecular dynamics simulations are conducted to compute all the necessary numerical data. Then special equations are developed by fitting the computed data into appropriate non-linear regression surfaces. The proposed non-linear analytical equations are capable of straightforwardly predicting the strength of graphene given the chirality, the temperature and the size of the center crack under investigation.
期刊介绍:
Proceedings of the Institution of Mechanical Engineers Part N-Journal of Nanomaterials Nanoengineering and Nanosystems is a peer-reviewed scientific journal published since 2004 by SAGE Publications on behalf of the Institution of Mechanical Engineers. The journal focuses on research in the field of nanoengineering, nanoscience and nanotechnology and aims to publish high quality academic papers in this field. In addition, the journal is indexed in several reputable academic databases and abstracting services, including Scopus, Compendex, and CSA's Advanced Polymers Abstracts, Composites Industry Abstracts, and Earthquake Engineering Abstracts.