Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture
The microscopic molecular characteristic will impact on the mechanical property of hydrate. Thus, molecular dynamics simulation is employed to investigate the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture system. The brittle fracture occurred during the tens...
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ftdoajarticles:oai:doaj.org/article:1842386c8ce04935a428e169a4ed72d3 2023-05-15T17:11:42+02:00 Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture Zhang Jiawei Wang Bo 2021-01-01T00:00:00Z https://doi.org/10.1051/e3sconf/202126102004 https://doaj.org/article/1842386c8ce04935a428e169a4ed72d3 EN FR eng fre EDP Sciences https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/37/e3sconf_icemee2021_02004.pdf https://doaj.org/toc/2267-1242 2267-1242 doi:10.1051/e3sconf/202126102004 https://doaj.org/article/1842386c8ce04935a428e169a4ed72d3 E3S Web of Conferences, Vol 261, p 02004 (2021) Environmental sciences GE1-350 article 2021 ftdoajarticles https://doi.org/10.1051/e3sconf/202126102004 2022-12-31T06:01:30Z The microscopic molecular characteristic will impact on the mechanical property of hydrate. Thus, molecular dynamics simulation is employed to investigate the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture system. The brittle fracture occurred during the tensile deformation of the system. Besides, the maximum stress of the hydrate/ water/ ice mixture system is lower than that of intact hydrate system. The fracture strain of studied system is smaller than that of pure hydrate system. The order parameters F3 and F4 can be used for determining the fracture position of mixture system and the changing of micro configuration on the mixture interface. Article in Journal/Newspaper Methane hydrate Directory of Open Access Journals: DOAJ Articles E3S Web of Conferences 261 02004 |
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Directory of Open Access Journals: DOAJ Articles |
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English French |
topic |
Environmental sciences GE1-350 |
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Environmental sciences GE1-350 Zhang Jiawei Wang Bo Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture |
topic_facet |
Environmental sciences GE1-350 |
description |
The microscopic molecular characteristic will impact on the mechanical property of hydrate. Thus, molecular dynamics simulation is employed to investigate the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture system. The brittle fracture occurred during the tensile deformation of the system. Besides, the maximum stress of the hydrate/ water/ ice mixture system is lower than that of intact hydrate system. The fracture strain of studied system is smaller than that of pure hydrate system. The order parameters F3 and F4 can be used for determining the fracture position of mixture system and the changing of micro configuration on the mixture interface. |
format |
Article in Journal/Newspaper |
author |
Zhang Jiawei Wang Bo |
author_facet |
Zhang Jiawei Wang Bo |
author_sort |
Zhang Jiawei |
title |
Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture |
title_short |
Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture |
title_full |
Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture |
title_fullStr |
Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture |
title_full_unstemmed |
Molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture |
title_sort |
molecular dynamic simulation of the molecular characteristic and mechanical property of methane hydrate/ water/ ice mixture |
publisher |
EDP Sciences |
publishDate |
2021 |
url |
https://doi.org/10.1051/e3sconf/202126102004 https://doaj.org/article/1842386c8ce04935a428e169a4ed72d3 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_source |
E3S Web of Conferences, Vol 261, p 02004 (2021) |
op_relation |
https://www.e3s-conferences.org/articles/e3sconf/pdf/2021/37/e3sconf_icemee2021_02004.pdf https://doaj.org/toc/2267-1242 2267-1242 doi:10.1051/e3sconf/202126102004 https://doaj.org/article/1842386c8ce04935a428e169a4ed72d3 |
op_doi |
https://doi.org/10.1051/e3sconf/202126102004 |
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E3S Web of Conferences |
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261 |
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02004 |
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1766068477176578048 |