Trends of the elastic constants of cubic transition metals
It is shown for the first time, using ab initio calculations, that the trend exhibited by the elastic constants in the transition metals can be simply understood. In particular, it is shown that the trend of the elastic constants of cubic transition metals is determined by the energy difference betw...
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| Veröffentlicht in: | Physical review letters 1992-05, Vol.68 (18), p.2802-2805 |
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| container_end_page | 2805 |
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| container_issue | 18 |
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| container_title | Physical review letters |
| container_volume | 68 |
| creator | WILLS, J. W ERIKSSON, O SÖDERLIND, P BORING, A. M |
| description | It is shown for the first time, using ab initio calculations, that the trend exhibited by the elastic constants in the transition metals can be simply understood. In particular, it is shown that the trend of the elastic constants of cubic transition metals is determined by the energy difference between the fcc and bcc structures of a given element, which, in turn, is determined by band filling. The results suggest indirectly that the reason for the disagreement between calculated "experimental" data for crystal energy differences does not lie in the calculated results. |
| doi_str_mv | 10.1103/physrevlett.68.2802 |
| format | Article |
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The results suggest indirectly that the reason for the disagreement between calculated "experimental" data for crystal energy differences does not lie in the calculated results.</description><identifier>ISSN: 0031-9007</identifier><identifier>EISSN: 1079-7114</identifier><identifier>DOI: 10.1103/physrevlett.68.2802</identifier><identifier>PMID: 10045496</identifier><identifier>CODEN: PRLTAO</identifier><language>eng</language><publisher>Ridge, NY: American Physical Society</publisher><subject>Applied sciences ; BAND THEORY ; Condensed matter: structure, mechanical and thermal properties ; CRYSTAL LATTICES ; CRYSTAL STRUCTURE ; CUBIC LATTICES ; ELASTICITY ; Elasticity, elastic constants ; ELECTRONIC STRUCTURE ; ELEMENTS ; ENERGY ; Exact sciences and technology ; FREE ENERGY ; MATERIALS SCIENCE ; Mechanical and acoustical properties of condensed matter ; MECHANICAL PROPERTIES ; Mechanical properties of solids ; METALS ; Metals. 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W</creatorcontrib><creatorcontrib>ERIKSSON, O</creatorcontrib><creatorcontrib>SÖDERLIND, P</creatorcontrib><creatorcontrib>BORING, A. M</creatorcontrib><title>Trends of the elastic constants of cubic transition metals</title><title>Physical review letters</title><addtitle>Phys Rev Lett</addtitle><description>It is shown for the first time, using ab initio calculations, that the trend exhibited by the elastic constants in the transition metals can be simply understood. In particular, it is shown that the trend of the elastic constants of cubic transition metals is determined by the energy difference between the fcc and bcc structures of a given element, which, in turn, is determined by band filling. The results suggest indirectly that the reason for the disagreement between calculated "experimental" data for crystal energy differences does not lie in the calculated results.</description><subject>Applied sciences</subject><subject>BAND THEORY</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>CRYSTAL LATTICES</subject><subject>CRYSTAL STRUCTURE</subject><subject>CUBIC LATTICES</subject><subject>ELASTICITY</subject><subject>Elasticity, elastic constants</subject><subject>ELECTRONIC STRUCTURE</subject><subject>ELEMENTS</subject><subject>ENERGY</subject><subject>Exact sciences and technology</subject><subject>FREE ENERGY</subject><subject>MATERIALS SCIENCE</subject><subject>Mechanical and acoustical properties of condensed matter</subject><subject>MECHANICAL PROPERTIES</subject><subject>Mechanical properties of solids</subject><subject>METALS</subject><subject>Metals. Metallurgy</subject><subject>PHYSICAL PROPERTIES</subject><subject>Physics</subject><subject>SHEAR PROPERTIES</subject><subject>TENSILE PROPERTIES</subject><subject>THERMODYNAMIC PROPERTIES 360103 -- Metals & Alloys-- Mechanical Properties</subject><subject>TRANSITION ELEMENTS</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>1992</creationdate><recordtype>article</recordtype><recordid>eNp9kU9LxDAQxYMo7rr6CQQpIuKl60zStIk3Ef_BgiJ6Dmk6ZSvddm2ygt_erLuIJ08DM7-ZebzH2DHCFBHE5XL-5Qf6bCmEaa6mXAHfYWOEQqcFYrbLxgACUw1QjNiB9-8AgDxX-2yEAJnMdD5mV68DdZVP-joJc0qotT40LnF954Ptws_ArcrYCoPtfBOavksWFGzrD9leHQsdbeuEvd3dvt48pLOn-8eb61nqMpmHtBJRjdS2plJQlKAqQHRFWdmSao65A5et1dhcq6ouyUoltcrJAtRCV0pM2Onmbh-lGe-aQG4eBXbkgim4UFyuofMNtBz6jxX5YBaNd9S2tqN-5Q2XGhUKjODFvyDG71xlQsuIig3qht5Hq2uzHJqFHb4MgllHYJ5jBC_0OYsRmFyZdQRx62T7YFUuqPqzs_E8AmdbwHpn2zr66hr_y0nOtcq0-AZjupDq</recordid><startdate>19920504</startdate><enddate>19920504</enddate><creator>WILLS, J. 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Metallurgy</topic><topic>PHYSICAL PROPERTIES</topic><topic>Physics</topic><topic>SHEAR PROPERTIES</topic><topic>TENSILE PROPERTIES</topic><topic>THERMODYNAMIC PROPERTIES 360103 -- Metals & Alloys-- Mechanical Properties</topic><topic>TRANSITION ELEMENTS</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>WILLS, J. W</creatorcontrib><creatorcontrib>ERIKSSON, O</creatorcontrib><creatorcontrib>SÖDERLIND, P</creatorcontrib><creatorcontrib>BORING, A. M</creatorcontrib><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>OSTI.GOV</collection><jtitle>Physical review letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>WILLS, J. W</au><au>ERIKSSON, O</au><au>SÖDERLIND, P</au><au>BORING, A. M</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Trends of the elastic constants of cubic transition metals</atitle><jtitle>Physical review letters</jtitle><addtitle>Phys Rev Lett</addtitle><date>1992-05-04</date><risdate>1992</risdate><volume>68</volume><issue>18</issue><spage>2802</spage><epage>2805</epage><pages>2802-2805</pages><issn>0031-9007</issn><eissn>1079-7114</eissn><coden>PRLTAO</coden><abstract>It is shown for the first time, using ab initio calculations, that the trend exhibited by the elastic constants in the transition metals can be simply understood. In particular, it is shown that the trend of the elastic constants of cubic transition metals is determined by the energy difference between the fcc and bcc structures of a given element, which, in turn, is determined by band filling. The results suggest indirectly that the reason for the disagreement between calculated "experimental" data for crystal energy differences does not lie in the calculated results.</abstract><cop>Ridge, NY</cop><pub>American Physical Society</pub><pmid>10045496</pmid><doi>10.1103/physrevlett.68.2802</doi><tpages>4</tpages></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0031-9007 |
| ispartof | Physical review letters, 1992-05, Vol.68 (18), p.2802-2805 |
| issn | 0031-9007 1079-7114 |
| language | eng |
| recordid | cdi_osti_scitechconnect_7238258 |
| source | American Physical Society Journals |
| subjects | Applied sciences BAND THEORY Condensed matter: structure, mechanical and thermal properties CRYSTAL LATTICES CRYSTAL STRUCTURE CUBIC LATTICES ELASTICITY Elasticity, elastic constants ELECTRONIC STRUCTURE ELEMENTS ENERGY Exact sciences and technology FREE ENERGY MATERIALS SCIENCE Mechanical and acoustical properties of condensed matter MECHANICAL PROPERTIES Mechanical properties of solids METALS Metals. Metallurgy PHYSICAL PROPERTIES Physics SHEAR PROPERTIES TENSILE PROPERTIES THERMODYNAMIC PROPERTIES 360103 -- Metals & Alloys-- Mechanical Properties TRANSITION ELEMENTS |
| title | Trends of the elastic constants of cubic transition metals |
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