Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate
The study of changes in the related mechanical property and microscopic structure of methane hydrate during the decomposition process are of vital significance to its exploitation and comprehensive utilization. This paper had employed the molecular dynamics (MD) method to investigate the influence o...
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ftpubmed:oai:pubmedcentral.nih.gov:6539317 2023-05-15T17:11:09+02:00 Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate Cai, Shouyin Tang, Qizhong Tian, Sen Lu, Yiyu Gao, Xuechao 2019-05-09 http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539317/ http://www.ncbi.nlm.nih.gov/pubmed/31075976 https://doi.org/10.3390/ijms20092305 en eng MDPI http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539317/ http://www.ncbi.nlm.nih.gov/pubmed/31075976 http://dx.doi.org/10.3390/ijms20092305 © 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). CC-BY Article Text 2019 ftpubmed https://doi.org/10.3390/ijms20092305 2019-06-09T00:21:42Z The study of changes in the related mechanical property and microscopic structure of methane hydrate during the decomposition process are of vital significance to its exploitation and comprehensive utilization. This paper had employed the molecular dynamics (MD) method to investigate the influence of defects on the microscopic structure and mechanical property of the sI methane hydrate system, and to discover the mechanical property for the defect-containing hydrate system to maintain its brittle materials. Moreover, the stress-strain curve of each system was analyzed, and it was discovered that the presence of certain defects in the methane hydrate could promote its mechanical property; however, the system mechanical property would be reduced when the defects had reached a certain degree (particle deletion rate of 9.02% in this study). Besides, the microscopic structures of the sI methane hydrate before and after failure were analyzed using the F3 order parameter value method, and it was found that the F3 order parameters near the crack would be subject to great fluctuations at the time of failure of the hydrate structure. The phenomenon and conclusions drawn in this study provide a basis for the study of the microscopic structure and mechanical characteristics of methane hydrate. Text Methane hydrate PubMed Central (PMC) International Journal of Molecular Sciences 20 9 2305 |
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Article Cai, Shouyin Tang, Qizhong Tian, Sen Lu, Yiyu Gao, Xuechao Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate |
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The study of changes in the related mechanical property and microscopic structure of methane hydrate during the decomposition process are of vital significance to its exploitation and comprehensive utilization. This paper had employed the molecular dynamics (MD) method to investigate the influence of defects on the microscopic structure and mechanical property of the sI methane hydrate system, and to discover the mechanical property for the defect-containing hydrate system to maintain its brittle materials. Moreover, the stress-strain curve of each system was analyzed, and it was discovered that the presence of certain defects in the methane hydrate could promote its mechanical property; however, the system mechanical property would be reduced when the defects had reached a certain degree (particle deletion rate of 9.02% in this study). Besides, the microscopic structures of the sI methane hydrate before and after failure were analyzed using the F3 order parameter value method, and it was found that the F3 order parameters near the crack would be subject to great fluctuations at the time of failure of the hydrate structure. The phenomenon and conclusions drawn in this study provide a basis for the study of the microscopic structure and mechanical characteristics of methane hydrate. |
format |
Text |
author |
Cai, Shouyin Tang, Qizhong Tian, Sen Lu, Yiyu Gao, Xuechao |
author_facet |
Cai, Shouyin Tang, Qizhong Tian, Sen Lu, Yiyu Gao, Xuechao |
author_sort |
Cai, Shouyin |
title |
Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate |
title_short |
Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate |
title_full |
Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate |
title_fullStr |
Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate |
title_full_unstemmed |
Molecular Simulation Study on the Microscopic Structure and Mechanical Property of Defect-Containing sI Methane Hydrate |
title_sort |
molecular simulation study on the microscopic structure and mechanical property of defect-containing si methane hydrate |
publisher |
MDPI |
publishDate |
2019 |
url |
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539317/ http://www.ncbi.nlm.nih.gov/pubmed/31075976 https://doi.org/10.3390/ijms20092305 |
genre |
Methane hydrate |
genre_facet |
Methane hydrate |
op_relation |
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC6539317/ http://www.ncbi.nlm.nih.gov/pubmed/31075976 http://dx.doi.org/10.3390/ijms20092305 |
op_rights |
© 2019 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
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https://doi.org/10.3390/ijms20092305 |
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International Journal of Molecular Sciences |
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20 |
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9 |
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2305 |
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1766067988671234048 |