Atomistic study of elastic constants and thermodynamic properties of cubic boron nitride
Equilibrium properties of cubic boron nitride (c-BN) are investigated by using a molecular-dynamics simulation based on the Tersoff empirical interatomic potential. Elastic constants and thermodynamic properties of c-BN are also calculated. We find that the elastic modulus C 11 is smaller than the e...
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| Veröffentlicht in: | Materials science & engineering. B, Solid-state materials for advanced technology Solid-state materials for advanced technology, 2003-10, Vol.103 (3), p.253-257 |
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| container_end_page | 257 |
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| container_issue | 3 |
| container_start_page | 253 |
| container_title | Materials science & engineering. B, Solid-state materials for advanced technology |
| container_volume | 103 |
| creator | Moon, Won Ha Hwang, Ho Jung |
| description | Equilibrium properties of cubic boron nitride (c-BN) are investigated by using a molecular-dynamics simulation based on the Tersoff empirical interatomic potential. Elastic constants and thermodynamic properties of c-BN are also calculated. We find that the elastic modulus
C
11 is smaller than the experimental data, while
C
12 is somewhat large. The elastic modulus
C
44 is in good agreement with the theoretical calculations and experiment. Thermal expansion coefficient and specific heat are also in agreement with experimental data. |
| doi_str_mv | 10.1016/S0921-5107(03)00242-3 |
| format | Article |
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C
11 is smaller than the experimental data, while
C
12 is somewhat large. The elastic modulus
C
44 is in good agreement with the theoretical calculations and experiment. Thermal expansion coefficient and specific heat are also in agreement with experimental data.</description><identifier>ISSN: 0921-5107</identifier><identifier>EISSN: 1873-4944</identifier><identifier>DOI: 10.1016/S0921-5107(03)00242-3</identifier><language>eng</language><publisher>Elsevier B.V</publisher><subject>Boron nitride ; Molecular dynamics ; Tersoff potential</subject><ispartof>Materials science & engineering. B, Solid-state materials for advanced technology, 2003-10, Vol.103 (3), p.253-257</ispartof><rights>2003 Elsevier B.V.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c404t-c679d82e3af8de81190ffada7578477da2d5a60062dcb0de172a9f5b483c4e9b3</citedby><cites>FETCH-LOGICAL-c404t-c679d82e3af8de81190ffada7578477da2d5a60062dcb0de172a9f5b483c4e9b3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://dx.doi.org/10.1016/S0921-5107(03)00242-3$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,780,784,3548,27922,27923,45993</link.rule.ids></links><search><creatorcontrib>Moon, Won Ha</creatorcontrib><creatorcontrib>Hwang, Ho Jung</creatorcontrib><title>Atomistic study of elastic constants and thermodynamic properties of cubic boron nitride</title><title>Materials science & engineering. B, Solid-state materials for advanced technology</title><description>Equilibrium properties of cubic boron nitride (c-BN) are investigated by using a molecular-dynamics simulation based on the Tersoff empirical interatomic potential. Elastic constants and thermodynamic properties of c-BN are also calculated. We find that the elastic modulus
C
11 is smaller than the experimental data, while
C
12 is somewhat large. The elastic modulus
C
44 is in good agreement with the theoretical calculations and experiment. Thermal expansion coefficient and specific heat are also in agreement with experimental data.</description><subject>Boron nitride</subject><subject>Molecular dynamics</subject><subject>Tersoff potential</subject><issn>0921-5107</issn><issn>1873-4944</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2003</creationdate><recordtype>article</recordtype><recordid>eNqFkE9LxDAQxYMouK5-BKEn0UN1kqZNe5Jl8R8seFDBW0iTKUbaZE1SYb-93V3x6mngzXvDvB8h5xSuKdDq5gUaRvOSgriE4gqAcZYXB2RGa1HkvOH8kMz-LMfkJMZPAKCMsRl5XyQ_2JiszmIazSbzXYa92gnau5iUSzFTzmTpA8PgzcapYdqtg19jSBbjNqHHdtJaH7zLnE3BGjwlR53qI579zjl5u797XT7mq-eHp-VilWsOPOW6Eo2pGRaqqw3WlDbQdcooUYqaC2EUM6WqACpmdAsGqWCq6cqW14Xm2LTFnFzs704ffY0Yk5zqaOx75dCPUbIaeFlBORnLvVEHH2PATq6DHVTYSApyy1HuOMotJAmF3HGUxZS73edwavFtMcioLTqNxgbUSRpv_7nwAyzhe_U</recordid><startdate>20031025</startdate><enddate>20031025</enddate><creator>Moon, Won Ha</creator><creator>Hwang, Ho Jung</creator><general>Elsevier B.V</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7QQ</scope><scope>7U5</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope></search><sort><creationdate>20031025</creationdate><title>Atomistic study of elastic constants and thermodynamic properties of cubic boron nitride</title><author>Moon, Won Ha ; Hwang, Ho Jung</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c404t-c679d82e3af8de81190ffada7578477da2d5a60062dcb0de172a9f5b483c4e9b3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2003</creationdate><topic>Boron nitride</topic><topic>Molecular dynamics</topic><topic>Tersoff potential</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Moon, Won Ha</creatorcontrib><creatorcontrib>Hwang, Ho Jung</creatorcontrib><collection>CrossRef</collection><collection>Ceramic Abstracts</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Materials science & engineering. B, Solid-state materials for advanced technology</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Moon, Won Ha</au><au>Hwang, Ho Jung</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Atomistic study of elastic constants and thermodynamic properties of cubic boron nitride</atitle><jtitle>Materials science & engineering. B, Solid-state materials for advanced technology</jtitle><date>2003-10-25</date><risdate>2003</risdate><volume>103</volume><issue>3</issue><spage>253</spage><epage>257</epage><pages>253-257</pages><issn>0921-5107</issn><eissn>1873-4944</eissn><abstract>Equilibrium properties of cubic boron nitride (c-BN) are investigated by using a molecular-dynamics simulation based on the Tersoff empirical interatomic potential. Elastic constants and thermodynamic properties of c-BN are also calculated. We find that the elastic modulus
C
11 is smaller than the experimental data, while
C
12 is somewhat large. The elastic modulus
C
44 is in good agreement with the theoretical calculations and experiment. Thermal expansion coefficient and specific heat are also in agreement with experimental data.</abstract><pub>Elsevier B.V</pub><doi>10.1016/S0921-5107(03)00242-3</doi><tpages>5</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0921-5107 |
| ispartof | Materials science & engineering. B, Solid-state materials for advanced technology, 2003-10, Vol.103 (3), p.253-257 |
| issn | 0921-5107 1873-4944 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_28045605 |
| source | ScienceDirect Journals (5 years ago - present) |
| subjects | Boron nitride Molecular dynamics Tersoff potential |
| title | Atomistic study of elastic constants and thermodynamic properties of cubic boron nitride |
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