A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes
The effect of grain boundary (GB) defects on the tribological properties of MoS 2 has been investigated by molecular dynamics (MD) simulations. The GB defects-containing MoS 2 during scratching process shows a lower critical breaking load than that of indentation process, owing to the combined effec...
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| Veröffentlicht in: | Friction 2021-10, Vol.9 (5), p.1198-1212 |
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| container_title | Friction |
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| creator | Wei, Boyu Kong, Ning Zhang, Jie Li, Hongbo Hong, Zhenjun Zhu, Hongtao Zhuang, Yuan Wang, Bo |
| description | The effect of grain boundary (GB) defects on the tribological properties of MoS
2
has been investigated by molecular dynamics (MD) simulations. The GB defects-containing MoS
2
during scratching process shows a lower critical breaking load than that of indentation process, owing to the combined effect of pushing and interlocking actions between the tip and MoS
2
atoms. The wear resistance of MoS
2
with GB defects is relevant to the misorientation angle due to the accumulation of long Mo-S bonds around the GBs. Weakening the adhesion strength between the MoS
2
and substrate is an efficient way to improve the wear resistance of MoS
2
with low-angle GBs. |
| doi_str_mv | 10.1007/s40544-020-0459-z |
| format | Article |
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2
has been investigated by molecular dynamics (MD) simulations. The GB defects-containing MoS
2
during scratching process shows a lower critical breaking load than that of indentation process, owing to the combined effect of pushing and interlocking actions between the tip and MoS
2
atoms. The wear resistance of MoS
2
with GB defects is relevant to the misorientation angle due to the accumulation of long Mo-S bonds around the GBs. Weakening the adhesion strength between the MoS
2
and substrate is an efficient way to improve the wear resistance of MoS
2
with low-angle GBs.</description><identifier>ISSN: 2223-7690</identifier><identifier>EISSN: 2223-7704</identifier><identifier>DOI: 10.1007/s40544-020-0459-z</identifier><language>eng</language><publisher>Beijing: Tsinghua University Press</publisher><subject>Adhesive strength ; Bonding strength ; Corrosion and Coatings ; Crystal defects ; Engineering ; Grain boundaries ; Indentation ; Mechanical Engineering ; Mechanical properties ; Misalignment ; Molecular dynamics ; Molybdenum disulfide ; Nanotechnology ; Physical Chemistry ; Research Article ; Scratching ; Substrates ; Surfaces and Interfaces ; Thin Films ; Tribology ; Wear resistance</subject><ispartof>Friction, 2021-10, Vol.9 (5), p.1198-1212</ispartof><rights>The author(s) 2020</rights><rights>The author(s) 2020. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c391t-da6a70062785af13e02a7a4d52328687e6c64c5dc639eb68286595beba2845843</citedby><cites>FETCH-LOGICAL-c391t-da6a70062785af13e02a7a4d52328687e6c64c5dc639eb68286595beba2845843</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s40544-020-0459-z$$EPDF$$P50$$Gspringer$$Hfree_for_read</linktopdf><linktohtml>$$Uhttps://doi.org/10.1007/s40544-020-0459-z$$EHTML$$P50$$Gspringer$$Hfree_for_read</linktohtml><link.rule.ids>314,780,784,864,27924,27925,41120,42189,51576</link.rule.ids></links><search><creatorcontrib>Wei, Boyu</creatorcontrib><creatorcontrib>Kong, Ning</creatorcontrib><creatorcontrib>Zhang, Jie</creatorcontrib><creatorcontrib>Li, Hongbo</creatorcontrib><creatorcontrib>Hong, Zhenjun</creatorcontrib><creatorcontrib>Zhu, Hongtao</creatorcontrib><creatorcontrib>Zhuang, Yuan</creatorcontrib><creatorcontrib>Wang, Bo</creatorcontrib><title>A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes</title><title>Friction</title><addtitle>Friction</addtitle><description>The effect of grain boundary (GB) defects on the tribological properties of MoS
2
has been investigated by molecular dynamics (MD) simulations. The GB defects-containing MoS
2
during scratching process shows a lower critical breaking load than that of indentation process, owing to the combined effect of pushing and interlocking actions between the tip and MoS
2
atoms. The wear resistance of MoS
2
with GB defects is relevant to the misorientation angle due to the accumulation of long Mo-S bonds around the GBs. Weakening the adhesion strength between the MoS
2
and substrate is an efficient way to improve the wear resistance of MoS
2
with low-angle GBs.</description><subject>Adhesive strength</subject><subject>Bonding strength</subject><subject>Corrosion and Coatings</subject><subject>Crystal defects</subject><subject>Engineering</subject><subject>Grain boundaries</subject><subject>Indentation</subject><subject>Mechanical Engineering</subject><subject>Mechanical properties</subject><subject>Misalignment</subject><subject>Molecular dynamics</subject><subject>Molybdenum disulfide</subject><subject>Nanotechnology</subject><subject>Physical Chemistry</subject><subject>Research Article</subject><subject>Scratching</subject><subject>Substrates</subject><subject>Surfaces and Interfaces</subject><subject>Thin Films</subject><subject>Tribology</subject><subject>Wear resistance</subject><issn>2223-7690</issn><issn>2223-7704</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2021</creationdate><recordtype>article</recordtype><sourceid>C6C</sourceid><sourceid>8G5</sourceid><sourceid>ABUWG</sourceid><sourceid>AFKRA</sourceid><sourceid>AZQEC</sourceid><sourceid>BENPR</sourceid><sourceid>CCPQU</sourceid><sourceid>DWQXO</sourceid><sourceid>GNUQQ</sourceid><sourceid>GUQSH</sourceid><sourceid>M2O</sourceid><recordid>eNp1UMtKxDAUDaLgoPMB7gKuq0mapO1yGHzBgBtdhzS5nUbaZkxapfMD_rYtVVy5uofLeXAOQleU3FBCstvIieA8IYwkhIsiOZ6gFWMsTbKM8NNfLAtyjtYxupKkPGWCZmSFvja49Q2YodEB27HTrTMRx36wI_Yd7mvAfXClb_zeGd3gEmr94XzAvpqFY2mhG1psXRyaylnAn66v8T5o1-HSD53VYcQWKjB9xHYIrtvjaILuTT3DQ_AGYoR4ic4q3URY_9wL9Hp_97J9THbPD0_bzS4xaUH7xGqpM0Iky3KhK5oCYTrT3AqWslzmGUgjuRHWyLSAUubTUxSihFKznIucpxfoevGdkt8HiL1680PopkjFBKM5LThlE4suLBN8jAEqdQiunaooStQ8uVomV9Pkap5cHScNWzTxMLeE8Of8v-gbrpiG5Q</recordid><startdate>20211001</startdate><enddate>20211001</enddate><creator>Wei, Boyu</creator><creator>Kong, Ning</creator><creator>Zhang, Jie</creator><creator>Li, Hongbo</creator><creator>Hong, Zhenjun</creator><creator>Zhu, Hongtao</creator><creator>Zhuang, Yuan</creator><creator>Wang, Bo</creator><general>Tsinghua University Press</general><general>Springer Nature B.V</general><scope>C6C</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>3V.</scope><scope>7RQ</scope><scope>7XB</scope><scope>8FE</scope><scope>8FG</scope><scope>8FK</scope><scope>8G5</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>GNUQQ</scope><scope>GUQSH</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>L6V</scope><scope>M2O</scope><scope>M7S</scope><scope>MBDVC</scope><scope>PADUT</scope><scope>PDBOC</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope><scope>Q9U</scope><scope>U9A</scope></search><sort><creationdate>20211001</creationdate><title>A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes</title><author>Wei, Boyu ; Kong, Ning ; Zhang, Jie ; Li, Hongbo ; Hong, Zhenjun ; Zhu, Hongtao ; Zhuang, Yuan ; Wang, Bo</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c391t-da6a70062785af13e02a7a4d52328687e6c64c5dc639eb68286595beba2845843</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2021</creationdate><topic>Adhesive strength</topic><topic>Bonding strength</topic><topic>Corrosion and Coatings</topic><topic>Crystal defects</topic><topic>Engineering</topic><topic>Grain boundaries</topic><topic>Indentation</topic><topic>Mechanical Engineering</topic><topic>Mechanical properties</topic><topic>Misalignment</topic><topic>Molecular dynamics</topic><topic>Molybdenum disulfide</topic><topic>Nanotechnology</topic><topic>Physical Chemistry</topic><topic>Research Article</topic><topic>Scratching</topic><topic>Substrates</topic><topic>Surfaces and Interfaces</topic><topic>Thin Films</topic><topic>Tribology</topic><topic>Wear resistance</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wei, Boyu</creatorcontrib><creatorcontrib>Kong, Ning</creatorcontrib><creatorcontrib>Zhang, Jie</creatorcontrib><creatorcontrib>Li, Hongbo</creatorcontrib><creatorcontrib>Hong, Zhenjun</creatorcontrib><creatorcontrib>Zhu, Hongtao</creatorcontrib><creatorcontrib>Zhuang, Yuan</creatorcontrib><creatorcontrib>Wang, Bo</creatorcontrib><collection>Springer Nature OA Free Journals</collection><collection>CrossRef</collection><collection>ProQuest Central (Corporate)</collection><collection>Career & Technical Education Database</collection><collection>ProQuest Central (purchase pre-March 2016)</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>ProQuest Central (Alumni) (purchase pre-March 2016)</collection><collection>Research Library (Alumni Edition)</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>ProQuest Central Student</collection><collection>Research Library Prep</collection><collection>SciTech Premium Collection</collection><collection>Materials Science Database</collection><collection>ProQuest Engineering Collection</collection><collection>Research Library</collection><collection>Engineering Database</collection><collection>Research Library (Corporate)</collection><collection>Research Library China</collection><collection>Materials Science Collection</collection><collection>Access via ProQuest (Open Access)</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering Collection</collection><collection>ProQuest Central Basic</collection><jtitle>Friction</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wei, Boyu</au><au>Kong, Ning</au><au>Zhang, Jie</au><au>Li, Hongbo</au><au>Hong, Zhenjun</au><au>Zhu, Hongtao</au><au>Zhuang, Yuan</au><au>Wang, Bo</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes</atitle><jtitle>Friction</jtitle><stitle>Friction</stitle><date>2021-10-01</date><risdate>2021</risdate><volume>9</volume><issue>5</issue><spage>1198</spage><epage>1212</epage><pages>1198-1212</pages><issn>2223-7690</issn><eissn>2223-7704</eissn><abstract>The effect of grain boundary (GB) defects on the tribological properties of MoS
2
has been investigated by molecular dynamics (MD) simulations. The GB defects-containing MoS
2
during scratching process shows a lower critical breaking load than that of indentation process, owing to the combined effect of pushing and interlocking actions between the tip and MoS
2
atoms. The wear resistance of MoS
2
with GB defects is relevant to the misorientation angle due to the accumulation of long Mo-S bonds around the GBs. Weakening the adhesion strength between the MoS
2
and substrate is an efficient way to improve the wear resistance of MoS
2
with low-angle GBs.</abstract><cop>Beijing</cop><pub>Tsinghua University Press</pub><doi>10.1007/s40544-020-0459-z</doi><tpages>15</tpages><oa>free_for_read</oa></addata></record> |
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| subjects | Adhesive strength Bonding strength Corrosion and Coatings Crystal defects Engineering Grain boundaries Indentation Mechanical Engineering Mechanical properties Misalignment Molecular dynamics Molybdenum disulfide Nanotechnology Physical Chemistry Research Article Scratching Substrates Surfaces and Interfaces Thin Films Tribology Wear resistance |
| title | A molecular dynamics study on the tribological behavior of molybdenum disulfide with grain boundary defects during scratching processes |
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