Site preference of alloying elements in Fe 3 Al-based alloys
On the basis of the first principle interatomic potentials, the site preference of various alloying elements in Fe 3 Al were evaluated for Ti, Si, Ni, Mn, Mo, and Cr, respectively. The calculated results of the substitutional distribution were in good agreement with the experimental results. Moreove...
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| Veröffentlicht in: | Journal of materials research 2001-02, Vol.16 (2), p.344-351 |
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| container_title | Journal of materials research |
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| creator | Ni, Xiao Dong Chen, Nan Xian Shen, Jiang Sun, Zu Qing Yang, Wang Yue |
| description | On the basis of the first principle interatomic potentials, the site preference of various alloying elements in Fe
3
Al were evaluated for Ti, Si, Ni, Mn, Mo, and Cr, respectively. The calculated results of the substitutional distribution were in good agreement with the experimental results. Moreover, the calculated results showed that H atoms in Fe
3
Al prefer to occupy the Fe-type octahedral interstice on the surface, which resulted in concentration of H atoms on the surface. Cr addition decreased the absorbability of Fe
3
Al-based alloys for H atoms and the force to drive H atoms segregating to surface. The concentration of H atoms on the surface can be decreased by Cr addition. |
| doi_str_mv | 10.1557/JMR.2001.0054 |
| format | Article |
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3
Al were evaluated for Ti, Si, Ni, Mn, Mo, and Cr, respectively. The calculated results of the substitutional distribution were in good agreement with the experimental results. Moreover, the calculated results showed that H atoms in Fe
3
Al prefer to occupy the Fe-type octahedral interstice on the surface, which resulted in concentration of H atoms on the surface. Cr addition decreased the absorbability of Fe
3
Al-based alloys for H atoms and the force to drive H atoms segregating to surface. The concentration of H atoms on the surface can be decreased by Cr addition.</description><identifier>ISSN: 0884-2914</identifier><identifier>EISSN: 2044-5326</identifier><identifier>DOI: 10.1557/JMR.2001.0054</identifier><language>eng</language><ispartof>Journal of materials research, 2001-02, Vol.16 (2), p.344-351</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c824-52d54834cce4a3557663c398b7babca77e3ea96171c1a9c2a4e88193c0bc3af33</citedby><cites>FETCH-LOGICAL-c824-52d54834cce4a3557663c398b7babca77e3ea96171c1a9c2a4e88193c0bc3af33</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids></links><search><creatorcontrib>Ni, Xiao Dong</creatorcontrib><creatorcontrib>Chen, Nan Xian</creatorcontrib><creatorcontrib>Shen, Jiang</creatorcontrib><creatorcontrib>Sun, Zu Qing</creatorcontrib><creatorcontrib>Yang, Wang Yue</creatorcontrib><title>Site preference of alloying elements in Fe 3 Al-based alloys</title><title>Journal of materials research</title><description>On the basis of the first principle interatomic potentials, the site preference of various alloying elements in Fe
3
Al were evaluated for Ti, Si, Ni, Mn, Mo, and Cr, respectively. The calculated results of the substitutional distribution were in good agreement with the experimental results. Moreover, the calculated results showed that H atoms in Fe
3
Al prefer to occupy the Fe-type octahedral interstice on the surface, which resulted in concentration of H atoms on the surface. Cr addition decreased the absorbability of Fe
3
Al-based alloys for H atoms and the force to drive H atoms segregating to surface. The concentration of H atoms on the surface can be decreased by Cr addition.</description><issn>0884-2914</issn><issn>2044-5326</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2001</creationdate><recordtype>article</recordtype><recordid>eNotj0FLwzAYhoMoWKdH7_kDqUm-pEnByxjOKRNBdw_pt69S6dqR7LJ_b8s8vZeHl-dh7FHJUlnrnt4_vkotpSqltOaKFVoaIyzo6poV0nsjdK3MLbvL-XeirHSmYM_f3Yn4MVFLiQYkPrY89v147oYfTj0daDhl3g18TRz4shdNzLS_IPme3bSxz_Twvwu2W7_sVhux_Xx9Wy23Ar2eDPTeGg8GkUyESbSqAKH2jWtig9E5Aop1pZxCFWvU0ZD3qgaUDUJsARZMXG4xjTlPquGYukNM56BkmMvDVB7m8jCXwx_g3kpv</recordid><startdate>200102</startdate><enddate>200102</enddate><creator>Ni, Xiao Dong</creator><creator>Chen, Nan Xian</creator><creator>Shen, Jiang</creator><creator>Sun, Zu Qing</creator><creator>Yang, Wang Yue</creator><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>200102</creationdate><title>Site preference of alloying elements in Fe 3 Al-based alloys</title><author>Ni, Xiao Dong ; Chen, Nan Xian ; Shen, Jiang ; Sun, Zu Qing ; Yang, Wang Yue</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c824-52d54834cce4a3557663c398b7babca77e3ea96171c1a9c2a4e88193c0bc3af33</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2001</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ni, Xiao Dong</creatorcontrib><creatorcontrib>Chen, Nan Xian</creatorcontrib><creatorcontrib>Shen, Jiang</creatorcontrib><creatorcontrib>Sun, Zu Qing</creatorcontrib><creatorcontrib>Yang, Wang Yue</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of materials research</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ni, Xiao Dong</au><au>Chen, Nan Xian</au><au>Shen, Jiang</au><au>Sun, Zu Qing</au><au>Yang, Wang Yue</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Site preference of alloying elements in Fe 3 Al-based alloys</atitle><jtitle>Journal of materials research</jtitle><date>2001-02</date><risdate>2001</risdate><volume>16</volume><issue>2</issue><spage>344</spage><epage>351</epage><pages>344-351</pages><issn>0884-2914</issn><eissn>2044-5326</eissn><abstract>On the basis of the first principle interatomic potentials, the site preference of various alloying elements in Fe
3
Al were evaluated for Ti, Si, Ni, Mn, Mo, and Cr, respectively. The calculated results of the substitutional distribution were in good agreement with the experimental results. Moreover, the calculated results showed that H atoms in Fe
3
Al prefer to occupy the Fe-type octahedral interstice on the surface, which resulted in concentration of H atoms on the surface. Cr addition decreased the absorbability of Fe
3
Al-based alloys for H atoms and the force to drive H atoms segregating to surface. The concentration of H atoms on the surface can be decreased by Cr addition.</abstract><doi>10.1557/JMR.2001.0054</doi><tpages>8</tpages></addata></record> |
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| title | Site preference of alloying elements in Fe 3 Al-based alloys |
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