The bulk modulus of C sub 60 molecules and crystals: A molecular mechanics approach
In this letter, the bulk modulus of an individual C{sub 60} molecule is calculated in terms of the C,C bond force constant. A range of values for the bulk modulus is obtained with literature values for the force constant. The values obtained all exceed the bulk modulus (441 GPa) of diamond. With a C...
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| Veröffentlicht in: | Applied physics letters 1991-09, Vol.59:13 |
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| container_title | Applied physics letters |
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| creator | Ruoff, R.S. Ruoff, A.L. |
| description | In this letter, the bulk modulus of an individual C{sub 60} molecule is calculated in terms of the C,C bond force constant. A range of values for the bulk modulus is obtained with literature values for the force constant. The values obtained all exceed the bulk modulus (441 GPa) of diamond. With a C,C bond force constant equal to that between adjacent carbon atoms in graphite, 7.08 mdyn/A, a bulk modulus of 903 GPa is obtained. On the basis of a simple composite model it is calculated that single closest-packed C{sub 60} crystals of C{sub 60} will have a bulk modulus of roughly 668 GPa under hydrostatic pressures. The calculated bulk modulus for a single C{sub 60} buckyball'' therefore suggests the possibility that a C{sub 60} crystal could be the most incompressible material known, at a pressure above about 50 GPa. |
| doi_str_mv | 10.1063/1.106280 |
| format | Article |
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A range of values for the bulk modulus is obtained with literature values for the force constant. The values obtained all exceed the bulk modulus (441 GPa) of diamond. With a C,C bond force constant equal to that between adjacent carbon atoms in graphite, 7.08 mdyn/A, a bulk modulus of 903 GPa is obtained. On the basis of a simple composite model it is calculated that single closest-packed C{sub 60} crystals of C{sub 60} will have a bulk modulus of roughly 668 GPa under hydrostatic pressures. The calculated bulk modulus for a single C{sub 60} buckyball'' therefore suggests the possibility that a C{sub 60} crystal could be the most incompressible material known, at a pressure above about 50 GPa.</description><identifier>ISSN: 0003-6951</identifier><identifier>EISSN: 1077-3118</identifier><identifier>DOI: 10.1063/1.106280</identifier><language>eng</language><publisher>United States</publisher><subject>360603 - Materials- Properties ; CARBON ; COMPRESSIBILITY ; CRYSTALS ; DATA ; ELEMENTS ; INFORMATION ; MATERIALS SCIENCE ; MECHANICAL PROPERTIES ; MOLECULES ; NONMETALS ; NUMERICAL DATA ; THEORETICAL DATA ; VERY HIGH PRESSURE</subject><ispartof>Applied physics letters, 1991-09, Vol.59:13</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,780,784,885,27923,27924</link.rule.ids><backlink>$$Uhttps://www.osti.gov/biblio/5170787$$D View this record in Osti.gov$$Hfree_for_read</backlink></links><search><creatorcontrib>Ruoff, R.S.</creatorcontrib><creatorcontrib>Ruoff, A.L.</creatorcontrib><title>The bulk modulus of C sub 60 molecules and crystals: A molecular mechanics approach</title><title>Applied physics letters</title><description>In this letter, the bulk modulus of an individual C{sub 60} molecule is calculated in terms of the C,C bond force constant. A range of values for the bulk modulus is obtained with literature values for the force constant. The values obtained all exceed the bulk modulus (441 GPa) of diamond. With a C,C bond force constant equal to that between adjacent carbon atoms in graphite, 7.08 mdyn/A, a bulk modulus of 903 GPa is obtained. On the basis of a simple composite model it is calculated that single closest-packed C{sub 60} crystals of C{sub 60} will have a bulk modulus of roughly 668 GPa under hydrostatic pressures. The calculated bulk modulus for a single C{sub 60} buckyball'' therefore suggests the possibility that a C{sub 60} crystal could be the most incompressible material known, at a pressure above about 50 GPa.</description><subject>360603 - Materials- Properties</subject><subject>CARBON</subject><subject>COMPRESSIBILITY</subject><subject>CRYSTALS</subject><subject>DATA</subject><subject>ELEMENTS</subject><subject>INFORMATION</subject><subject>MATERIALS SCIENCE</subject><subject>MECHANICAL PROPERTIES</subject><subject>MOLECULES</subject><subject>NONMETALS</subject><subject>NUMERICAL DATA</subject><subject>THEORETICAL DATA</subject><subject>VERY HIGH PRESSURE</subject><issn>0003-6951</issn><issn>1077-3118</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1991</creationdate><recordtype>article</recordtype><recordid>eNqNi8sKwjAURIMoWB_gJ1zcV28Mbao7EcW93ZcYI62mTeltFv69EXTv6jAzZxhbcFxxTMWaf7DJcMAijlLGgvNsyCJEFHG6TfiYTYgeISYbISJ2yUsDV2-fULubt57A3eEA5K-QYuis0d4aAtXcQHcv6pWlHex_i-qgNrpUTaWD07adU7qcsdE9aGb-5ZQtT8f8cI4d9VVBuurDRbumMbovEi5RZlL8Jb0B1mRDdA</recordid><startdate>19910923</startdate><enddate>19910923</enddate><creator>Ruoff, R.S.</creator><creator>Ruoff, A.L.</creator><scope>OTOTI</scope></search><sort><creationdate>19910923</creationdate><title>The bulk modulus of C sub 60 molecules and crystals: A molecular mechanics approach</title><author>Ruoff, R.S. ; Ruoff, A.L.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-osti_scitechconnect_51707873</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>1991</creationdate><topic>360603 - Materials- Properties</topic><topic>CARBON</topic><topic>COMPRESSIBILITY</topic><topic>CRYSTALS</topic><topic>DATA</topic><topic>ELEMENTS</topic><topic>INFORMATION</topic><topic>MATERIALS SCIENCE</topic><topic>MECHANICAL PROPERTIES</topic><topic>MOLECULES</topic><topic>NONMETALS</topic><topic>NUMERICAL DATA</topic><topic>THEORETICAL DATA</topic><topic>VERY HIGH PRESSURE</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ruoff, R.S.</creatorcontrib><creatorcontrib>Ruoff, A.L.</creatorcontrib><collection>OSTI.GOV</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ruoff, R.S.</au><au>Ruoff, A.L.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>The bulk modulus of C sub 60 molecules and crystals: A molecular mechanics approach</atitle><jtitle>Applied physics letters</jtitle><date>1991-09-23</date><risdate>1991</risdate><volume>59:13</volume><issn>0003-6951</issn><eissn>1077-3118</eissn><abstract>In this letter, the bulk modulus of an individual C{sub 60} molecule is calculated in terms of the C,C bond force constant. A range of values for the bulk modulus is obtained with literature values for the force constant. The values obtained all exceed the bulk modulus (441 GPa) of diamond. With a C,C bond force constant equal to that between adjacent carbon atoms in graphite, 7.08 mdyn/A, a bulk modulus of 903 GPa is obtained. On the basis of a simple composite model it is calculated that single closest-packed C{sub 60} crystals of C{sub 60} will have a bulk modulus of roughly 668 GPa under hydrostatic pressures. The calculated bulk modulus for a single C{sub 60} buckyball'' therefore suggests the possibility that a C{sub 60} crystal could be the most incompressible material known, at a pressure above about 50 GPa.</abstract><cop>United States</cop><doi>10.1063/1.106280</doi></addata></record> |
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| ispartof | Applied physics letters, 1991-09, Vol.59:13 |
| issn | 0003-6951 1077-3118 |
| language | eng |
| recordid | cdi_osti_scitechconnect_5170787 |
| source | AIP Digital Archive |
| subjects | 360603 - Materials- Properties CARBON COMPRESSIBILITY CRYSTALS DATA ELEMENTS INFORMATION MATERIALS SCIENCE MECHANICAL PROPERTIES MOLECULES NONMETALS NUMERICAL DATA THEORETICAL DATA VERY HIGH PRESSURE |
| title | The bulk modulus of C sub 60 molecules and crystals: A molecular mechanics approach |
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