Theoretical elastic moduli of ferromagnetic bcc Fe alloys
The polycrystalline elastic parameters of ferromagnetic Fe(1-x)M(x) (M = Al, Si, V, Cr, Mn, Co, Ni, Rh; 0 ≤ x ≤ 0.1) random alloys in the body centered cubic (bcc) crystallographic phase have been calculated using first-principles alloy theory in combination with statistical averaging methods. With...
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| Veröffentlicht in: | Journal of physics. Condensed matter 2010-07, Vol.22 (27), p.275402-275402 |
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| container_title | Journal of physics. Condensed matter |
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| creator | Zhang, Hualei Punkkinen, Marko P J Johansson, Börje Vitos, Levente |
| description | The polycrystalline elastic parameters of ferromagnetic Fe(1-x)M(x) (M = Al, Si, V, Cr, Mn, Co, Ni, Rh; 0 ≤ x ≤ 0.1) random alloys in the body centered cubic (bcc) crystallographic phase have been calculated using first-principles alloy theory in combination with statistical averaging methods. With a few exceptions, the agreement between the calculated and the available experimental data for the polycrystalline aggregates is satisfactory. All additions considered here decrease the bulk modulus (B) and Poisson's ratio (ν) of bcc Fe. The complex composition dependence of the C(44) single-crystal elastic constant is reflected in the polycrystalline shear modulus (G), Young's modulus (E), and Debye temperature (Θ). The polycrystalline anisotropy of bcc Fe is increased by all additions, and Al, Si, Ni, and Rh yield the largest alloying effects. |
| doi_str_mv | 10.1088/0953-8984/22/27/275402 |
| format | Article |
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With a few exceptions, the agreement between the calculated and the available experimental data for the polycrystalline aggregates is satisfactory. All additions considered here decrease the bulk modulus (B) and Poisson's ratio (ν) of bcc Fe. The complex composition dependence of the C(44) single-crystal elastic constant is reflected in the polycrystalline shear modulus (G), Young's modulus (E), and Debye temperature (Θ). The polycrystalline anisotropy of bcc Fe is increased by all additions, and Al, Si, Ni, and Rh yield the largest alloying effects.</description><identifier>ISSN: 0953-8984</identifier><identifier>ISSN: 1361-648X</identifier><identifier>EISSN: 1361-648X</identifier><identifier>DOI: 10.1088/0953-8984/22/27/275402</identifier><identifier>PMID: 21399255</identifier><identifier>CODEN: JCOMEL</identifier><language>eng</language><publisher>Bristol: IOP Publishing</publisher><subject>Algorithms ; Alloying effects ; Alloys ; Aluminum ; Aluminum - chemistry ; Body centered cubic lattice ; Condensed matter physics ; Condensed matter: structure, mechanical and thermal properties ; Crystallization ; Elastic Modulus ; Elasticity ; Elasticity, elastic constants ; Exact sciences and technology ; Ferromagnetism ; Fysik ; Iron ; Iron - chemistry ; Kondenserade materiens fysik ; Magnetics ; Mathematical analysis ; Mechanical and acoustical properties of condensed matter ; Mechanical properties of solids ; Models, Statistical ; NATURAL SCIENCES ; NATURVETENSKAP ; Nickel ; Nickel - chemistry ; Physics ; Poisson Distribution ; Rhodium - chemistry ; Silicon - chemistry</subject><ispartof>Journal of physics. 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Condensed matter</title><addtitle>J Phys Condens Matter</addtitle><description>The polycrystalline elastic parameters of ferromagnetic Fe(1-x)M(x) (M = Al, Si, V, Cr, Mn, Co, Ni, Rh; 0 ≤ x ≤ 0.1) random alloys in the body centered cubic (bcc) crystallographic phase have been calculated using first-principles alloy theory in combination with statistical averaging methods. With a few exceptions, the agreement between the calculated and the available experimental data for the polycrystalline aggregates is satisfactory. All additions considered here decrease the bulk modulus (B) and Poisson's ratio (ν) of bcc Fe. The complex composition dependence of the C(44) single-crystal elastic constant is reflected in the polycrystalline shear modulus (G), Young's modulus (E), and Debye temperature (Θ). The polycrystalline anisotropy of bcc Fe is increased by all additions, and Al, Si, Ni, and Rh yield the largest alloying effects.</description><subject>Algorithms</subject><subject>Alloying effects</subject><subject>Alloys</subject><subject>Aluminum</subject><subject>Aluminum - chemistry</subject><subject>Body centered cubic lattice</subject><subject>Condensed matter physics</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Crystallization</subject><subject>Elastic Modulus</subject><subject>Elasticity</subject><subject>Elasticity, elastic constants</subject><subject>Exact sciences and technology</subject><subject>Ferromagnetism</subject><subject>Fysik</subject><subject>Iron</subject><subject>Iron - chemistry</subject><subject>Kondenserade materiens fysik</subject><subject>Magnetics</subject><subject>Mathematical analysis</subject><subject>Mechanical and acoustical properties of condensed matter</subject><subject>Mechanical properties of solids</subject><subject>Models, Statistical</subject><subject>NATURAL SCIENCES</subject><subject>NATURVETENSKAP</subject><subject>Nickel</subject><subject>Nickel - chemistry</subject><subject>Physics</subject><subject>Poisson Distribution</subject><subject>Rhodium - chemistry</subject><subject>Silicon - chemistry</subject><issn>0953-8984</issn><issn>1361-648X</issn><issn>1361-648X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2010</creationdate><recordtype>article</recordtype><sourceid>EIF</sourceid><recordid>eNqNkU1r3DAQhkVJabZp_0LwJeRSd6WRZFvHkI-2EOglLb2JsTxKnNgrR1oT8u9r4-320B4WBNLheTXv8DB2KvhnwatqzY2WeWUqtQZYQzkdrTi8YSshC5EXqvp1xFZ76Ji9T-mRc64qqd6xYxDSGNB6xczdA4VI29Zhl1GHaXplfWjGrs2CzzzFGHq838xEVjuX3VCGXRde0wf21mOX6OPuPmE_bq7vLr_mt9-_fLu8uM2dhmKbgyQpqdRSCTSSNxKdEQ1gBQqcq0k6AeQaLAnReV-i1FqQ51gr1zhp5An7tPybXmgYazvEtsf4agO29qr9eWFDvLfjaOfFFRyGP20fLJRQyAk_X_AhhueR0tb2bXLUdbihMCZb6VIAFFwfQOrCgOFz42IhXQwpRfL7EoLb2Z6dxdhZjAWYitjF3hQ83Y0Y656afeyPrgk42wGYJmE-4sa16S8nJ8VGzA3EwrVhOHx4_m_m_6wdGi9_A_JJvno</recordid><startdate>20100714</startdate><enddate>20100714</enddate><creator>Zhang, Hualei</creator><creator>Punkkinen, Marko P J</creator><creator>Johansson, Börje</creator><creator>Vitos, Levente</creator><general>IOP Publishing</general><general>Institute of Physics</general><scope>IQODW</scope><scope>CGR</scope><scope>CUY</scope><scope>CVF</scope><scope>ECM</scope><scope>EIF</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7QF</scope><scope>7U5</scope><scope>8FD</scope><scope>JG9</scope><scope>L7M</scope><scope>7X8</scope><scope>ADTPV</scope><scope>AOWAS</scope><scope>D8V</scope><scope>DF2</scope></search><sort><creationdate>20100714</creationdate><title>Theoretical elastic moduli of ferromagnetic bcc Fe alloys</title><author>Zhang, Hualei ; Punkkinen, Marko P J ; Johansson, Börje ; Vitos, Levente</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c526t-23e33e75341a930d3ac91d2a8242ccbe3c12ecda7eaacff7a3551ef0ab4cdc393</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2010</creationdate><topic>Algorithms</topic><topic>Alloying effects</topic><topic>Alloys</topic><topic>Aluminum</topic><topic>Aluminum - chemistry</topic><topic>Body centered cubic lattice</topic><topic>Condensed matter physics</topic><topic>Condensed matter: structure, mechanical and thermal properties</topic><topic>Crystallization</topic><topic>Elastic Modulus</topic><topic>Elasticity</topic><topic>Elasticity, elastic constants</topic><topic>Exact sciences and technology</topic><topic>Ferromagnetism</topic><topic>Fysik</topic><topic>Iron</topic><topic>Iron - chemistry</topic><topic>Kondenserade materiens fysik</topic><topic>Magnetics</topic><topic>Mathematical analysis</topic><topic>Mechanical and acoustical properties of condensed matter</topic><topic>Mechanical properties of solids</topic><topic>Models, Statistical</topic><topic>NATURAL SCIENCES</topic><topic>NATURVETENSKAP</topic><topic>Nickel</topic><topic>Nickel - chemistry</topic><topic>Physics</topic><topic>Poisson Distribution</topic><topic>Rhodium - chemistry</topic><topic>Silicon - chemistry</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Hualei</creatorcontrib><creatorcontrib>Punkkinen, Marko P J</creatorcontrib><creatorcontrib>Johansson, Börje</creatorcontrib><creatorcontrib>Vitos, Levente</creatorcontrib><collection>Pascal-Francis</collection><collection>Medline</collection><collection>MEDLINE</collection><collection>MEDLINE (Ovid)</collection><collection>MEDLINE</collection><collection>MEDLINE</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>Aluminium Industry 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><collection>MEDLINE - Academic</collection><collection>SwePub</collection><collection>SwePub Articles</collection><collection>SWEPUB Kungliga Tekniska Högskolan</collection><collection>SWEPUB Uppsala universitet</collection><jtitle>Journal of physics. Condensed matter</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhang, Hualei</au><au>Punkkinen, Marko P J</au><au>Johansson, Börje</au><au>Vitos, Levente</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Theoretical elastic moduli of ferromagnetic bcc Fe alloys</atitle><jtitle>Journal of physics. Condensed matter</jtitle><addtitle>J Phys Condens Matter</addtitle><date>2010-07-14</date><risdate>2010</risdate><volume>22</volume><issue>27</issue><spage>275402</spage><epage>275402</epage><pages>275402-275402</pages><issn>0953-8984</issn><issn>1361-648X</issn><eissn>1361-648X</eissn><coden>JCOMEL</coden><abstract>The polycrystalline elastic parameters of ferromagnetic Fe(1-x)M(x) (M = Al, Si, V, Cr, Mn, Co, Ni, Rh; 0 ≤ x ≤ 0.1) random alloys in the body centered cubic (bcc) crystallographic phase have been calculated using first-principles alloy theory in combination with statistical averaging methods. With a few exceptions, the agreement between the calculated and the available experimental data for the polycrystalline aggregates is satisfactory. All additions considered here decrease the bulk modulus (B) and Poisson's ratio (ν) of bcc Fe. The complex composition dependence of the C(44) single-crystal elastic constant is reflected in the polycrystalline shear modulus (G), Young's modulus (E), and Debye temperature (Θ). The polycrystalline anisotropy of bcc Fe is increased by all additions, and Al, Si, Ni, and Rh yield the largest alloying effects.</abstract><cop>Bristol</cop><pub>IOP Publishing</pub><pmid>21399255</pmid><doi>10.1088/0953-8984/22/27/275402</doi><tpages>1</tpages></addata></record> |
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| subjects | Algorithms Alloying effects Alloys Aluminum Aluminum - chemistry Body centered cubic lattice Condensed matter physics Condensed matter: structure, mechanical and thermal properties Crystallization Elastic Modulus Elasticity Elasticity, elastic constants Exact sciences and technology Ferromagnetism Fysik Iron Iron - chemistry Kondenserade materiens fysik Magnetics Mathematical analysis Mechanical and acoustical properties of condensed matter Mechanical properties of solids Models, Statistical NATURAL SCIENCES NATURVETENSKAP Nickel Nickel - chemistry Physics Poisson Distribution Rhodium - chemistry Silicon - chemistry |
| title | Theoretical elastic moduli of ferromagnetic bcc Fe alloys |
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