Analysis of valence electron structures (VES) of intermetallic compounds containing calcium in Mg–Al-based alloys
Based on the empirical electron theory (EET), of solid and molecules analysis is made on the Al2Ca, Mg2Ca and Al4Ca intermetallic compounds in Mg–Al alloys containing Ca and the valance electron structures (VES) of these compounds have been calculated. According to the calculative results, bond netw...
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| Veröffentlicht in: | Materials chemistry and physics 2003-02, Vol.78 (1), p.88-93 |
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| container_title | Materials chemistry and physics |
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| creator | Min, Xuegang Sun, Yangshan Xue, Feng Du, Wenwen Wu, Dengyun |
| description | Based on the empirical electron theory (EET), of solid and molecules analysis is made on the Al2Ca, Mg2Ca and Al4Ca intermetallic compounds in Mg–Al alloys containing Ca and the valance electron structures (VES) of these compounds have been calculated. According to the calculative results, bond networks of these compounds have been set up. The analysis and calculation made on these intermetallic compounds with EET shows that the bond network of Al2Ca has high bond energy and the differences of the bond strength between different crystalline directions is not remarkable, so that its stability is the highest among the three structures studied. Both Al4Ca and Mg2Ca have weak bonds or weak bond zones that leads to breakage easily, which accounts for the low stability of the structure. |
| doi_str_mv | 10.1016/S0254-0584(02)00312-7 |
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According to the calculative results, bond networks of these compounds have been set up. The analysis and calculation made on these intermetallic compounds with EET shows that the bond network of Al2Ca has high bond energy and the differences of the bond strength between different crystalline directions is not remarkable, so that its stability is the highest among the three structures studied. Both Al4Ca and Mg2Ca have weak bonds or weak bond zones that leads to breakage easily, which accounts for the low stability of the structure.</description><identifier>ISSN: 0254-0584</identifier><identifier>EISSN: 1879-3312</identifier><identifier>DOI: 10.1016/S0254-0584(02)00312-7</identifier><identifier>CODEN: MCHPDR</identifier><language>eng</language><publisher>Lausanne: Elsevier B.V</publisher><subject>Applied sciences ; Calcium ; Condensed matter: structure, mechanical and thermal properties ; Crystal binding; cohesive energy ; Crystalline state (including molecular motions in solids) ; Exact sciences and technology ; Intermetallic structure ; Metals. Metallurgy ; Physics ; Structure of solids and liquids; crystallography ; Thermal stability ; VES</subject><ispartof>Materials chemistry and physics, 2003-02, Vol.78 (1), p.88-93</ispartof><rights>2002 Elsevier Science B.V.</rights><rights>2003 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c465t-2afaf6a9ff7c5112e7eef52c41ac220175600c8ce26a518ae0cc4ab1abb6e1b83</citedby><cites>FETCH-LOGICAL-c465t-2afaf6a9ff7c5112e7eef52c41ac220175600c8ce26a518ae0cc4ab1abb6e1b83</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktohtml>$$Uhttps://www.sciencedirect.com/science/article/pii/S0254058402003127$$EHTML$$P50$$Gelsevier$$H</linktohtml><link.rule.ids>314,776,780,3537,27901,27902,65306</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=14435714$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Min, Xuegang</creatorcontrib><creatorcontrib>Sun, Yangshan</creatorcontrib><creatorcontrib>Xue, Feng</creatorcontrib><creatorcontrib>Du, Wenwen</creatorcontrib><creatorcontrib>Wu, Dengyun</creatorcontrib><title>Analysis of valence electron structures (VES) of intermetallic compounds containing calcium in Mg–Al-based alloys</title><title>Materials chemistry and physics</title><description>Based on the empirical electron theory (EET), of solid and molecules analysis is made on the Al2Ca, Mg2Ca and Al4Ca intermetallic compounds in Mg–Al alloys containing Ca and the valance electron structures (VES) of these compounds have been calculated. According to the calculative results, bond networks of these compounds have been set up. The analysis and calculation made on these intermetallic compounds with EET shows that the bond network of Al2Ca has high bond energy and the differences of the bond strength between different crystalline directions is not remarkable, so that its stability is the highest among the three structures studied. Both Al4Ca and Mg2Ca have weak bonds or weak bond zones that leads to breakage easily, which accounts for the low stability of the structure.</description><subject>Applied sciences</subject><subject>Calcium</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Crystal binding; cohesive energy</subject><subject>Crystalline state (including molecular motions in solids)</subject><subject>Exact sciences and technology</subject><subject>Intermetallic structure</subject><subject>Metals. Metallurgy</subject><subject>Physics</subject><subject>Structure of solids and liquids; crystallography</subject><subject>Thermal stability</subject><subject>VES</subject><issn>0254-0584</issn><issn>1879-3312</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2003</creationdate><recordtype>article</recordtype><recordid>eNqNkcFu1DAQhi0EEkvhEZByAbWHgO3EcfaEVlWhlYo4FLhak9lxZeQ4iyeptDfegTfkSfB2KzjCybb0_R77_4R4qeQbJVX39kZq09bS9O2p1GdSNkrX9pFYqd6u66acHovVH-SpeMb8TUpllWpWgjcJ4p4DV5Ov7iBSQqooEs55ShXPecF5ycTV6deLm7MDFNJMeaQZYgxY4TTupiVtuezSDCGFdFshRAzLWNDq4-2vHz83sR6AaVuVzLTn5-KJh8j04mE9EV_eX3w-v6yvP324Ot9c19h2Zq41ePAdrL23aJTSZIm80dgqQK3LB0wnJfZIugOjeiCJ2MKgYBg6UkPfnIjXx3t3efq-EM9uDIwUIySaFnba9uu2MfI_QGVtp5sCmiOIeWLO5N0uhxHy3inpDi7cvQt3KNpJ7e5dOFtyrx4GAJdyfIaEgf-G2_IMq9rCvTtyVGq5C5QdYzgo2YZclLjtFP4x6Te64aB7</recordid><startdate>20030203</startdate><enddate>20030203</enddate><creator>Min, Xuegang</creator><creator>Sun, Yangshan</creator><creator>Xue, Feng</creator><creator>Du, Wenwen</creator><creator>Wu, Dengyun</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope><scope>7U5</scope><scope>L7M</scope></search><sort><creationdate>20030203</creationdate><title>Analysis of valence electron structures (VES) of intermetallic compounds containing calcium in Mg–Al-based alloys</title><author>Min, Xuegang ; Sun, Yangshan ; Xue, Feng ; Du, Wenwen ; Wu, Dengyun</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c465t-2afaf6a9ff7c5112e7eef52c41ac220175600c8ce26a518ae0cc4ab1abb6e1b83</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2003</creationdate><topic>Applied sciences</topic><topic>Calcium</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Crystal binding; cohesive energy</topic><topic>Crystalline state (including molecular motions in solids)</topic><topic>Exact sciences and technology</topic><topic>Intermetallic structure</topic><topic>Metals. Metallurgy</topic><topic>Physics</topic><topic>Structure of solids and liquids; crystallography</topic><topic>Thermal stability</topic><topic>VES</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Min, Xuegang</creatorcontrib><creatorcontrib>Sun, Yangshan</creatorcontrib><creatorcontrib>Xue, Feng</creatorcontrib><creatorcontrib>Du, Wenwen</creatorcontrib><creatorcontrib>Wu, Dengyun</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Materials chemistry and physics</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Min, Xuegang</au><au>Sun, Yangshan</au><au>Xue, Feng</au><au>Du, Wenwen</au><au>Wu, Dengyun</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Analysis of valence electron structures (VES) of intermetallic compounds containing calcium in Mg–Al-based alloys</atitle><jtitle>Materials chemistry and physics</jtitle><date>2003-02-03</date><risdate>2003</risdate><volume>78</volume><issue>1</issue><spage>88</spage><epage>93</epage><pages>88-93</pages><issn>0254-0584</issn><eissn>1879-3312</eissn><coden>MCHPDR</coden><abstract>Based on the empirical electron theory (EET), of solid and molecules analysis is made on the Al2Ca, Mg2Ca and Al4Ca intermetallic compounds in Mg–Al alloys containing Ca and the valance electron structures (VES) of these compounds have been calculated. According to the calculative results, bond networks of these compounds have been set up. The analysis and calculation made on these intermetallic compounds with EET shows that the bond network of Al2Ca has high bond energy and the differences of the bond strength between different crystalline directions is not remarkable, so that its stability is the highest among the three structures studied. Both Al4Ca and Mg2Ca have weak bonds or weak bond zones that leads to breakage easily, which accounts for the low stability of the structure.</abstract><cop>Lausanne</cop><pub>Elsevier B.V</pub><doi>10.1016/S0254-0584(02)00312-7</doi><tpages>6</tpages></addata></record> |
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| ispartof | Materials chemistry and physics, 2003-02, Vol.78 (1), p.88-93 |
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| language | eng |
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| source | Elsevier ScienceDirect Journals |
| subjects | Applied sciences Calcium Condensed matter: structure, mechanical and thermal properties Crystal binding cohesive energy Crystalline state (including molecular motions in solids) Exact sciences and technology Intermetallic structure Metals. Metallurgy Physics Structure of solids and liquids crystallography Thermal stability VES |
| title | Analysis of valence electron structures (VES) of intermetallic compounds containing calcium in Mg–Al-based alloys |
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