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Thermodynamic modeling of the ZrO system
In this study, the complete zirconium-oxygen system has been critically assessed at 1 at. from 300° C to liquidus temperatures. Thermochemical measurements and phase diagram data were used to model the Gibbs free energies of seven phases. Additionally, the ordered interstitial HCP-based solutions we...
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| Published in: | Calphad 2002-03, Vol.26 (1), p.95-118 |
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| Main Authors: | , , |
| Format: | Article |
| Language: | English |
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| cites | cdi_FETCH-LOGICAL-c368t-e27382ebcae0d498001299982e322d6f1479977c2ea30be7e3b1bbdda29127e23 |
| container_end_page | 118 |
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| container_title | Calphad |
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| creator | Arroyave, Raymundo Kaufman, Larry Eagar, Thomas W. |
| description | In this study, the complete zirconium-oxygen system has been critically assessed at 1
at. from 300°
C to liquidus temperatures. Thermochemical measurements and phase diagram data were used to model the Gibbs free energies of seven phases. Additionally, the ordered interstitial HCP-based solutions were included and considered as simple line compounds. By using the PARROT module in Thermo-Calc, it was possible to optimize the parameters of the models used to describe the Gibbs free energies of the
HCP,
BCC,
Liquid, γ
ZrO
2−
x
,β
ZrO
2−
x
and α
ZrO
2−
x
phases. The
Gas phase was considered to behave ideally. Although phase diagrams including the stoichiometric zirconia phases have been assessed, this is the first time, to the best of our knowledge that a complete assessment of this system is published. |
| doi_str_mv | 10.1016/S0364-5916(02)00027-5 |
| format | article |
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at. from 300°
C to liquidus temperatures. Thermochemical measurements and phase diagram data were used to model the Gibbs free energies of seven phases. Additionally, the ordered interstitial HCP-based solutions were included and considered as simple line compounds. By using the PARROT module in Thermo-Calc, it was possible to optimize the parameters of the models used to describe the Gibbs free energies of the
HCP,
BCC,
Liquid, γ
ZrO
2−
x
,β
ZrO
2−
x
and α
ZrO
2−
x
phases. The
Gas phase was considered to behave ideally. Although phase diagrams including the stoichiometric zirconia phases have been assessed, this is the first time, to the best of our knowledge that a complete assessment of this system is published.</description><identifier>ISSN: 0364-5916</identifier><identifier>EISSN: 1873-2984</identifier><identifier>DOI: 10.1016/S0364-5916(02)00027-5</identifier><identifier>CODEN: CCCTD6</identifier><language>eng</language><publisher>Amsterdam: Elsevier Ltd</publisher><subject>Chemical thermodynamics ; Chemistry ; Cross-disciplinary physics: materials science; rheology ; Elements, mineral and organic compounds ; Exact sciences and technology ; General and physical chemistry ; Materials science ; Phase diagrams and microstructures developed by solidification and solid-solid phase transformations ; Phase diagrams of other materials ; Physics ; Thermodynamic properties</subject><ispartof>Calphad, 2002-03, Vol.26 (1), p.95-118</ispartof><rights>2002</rights><rights>2002 INIST-CNRS</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c368t-e27382ebcae0d498001299982e322d6f1479977c2ea30be7e3b1bbdda29127e23</citedby><cites>FETCH-LOGICAL-c368t-e27382ebcae0d498001299982e322d6f1479977c2ea30be7e3b1bbdda29127e23</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784,27924,27925</link.rule.ids><backlink>$$Uhttp://pascal-francis.inist.fr/vibad/index.php?action=getRecordDetail&idt=13612156$$DView record in Pascal Francis$$Hfree_for_read</backlink></links><search><creatorcontrib>Arroyave, Raymundo</creatorcontrib><creatorcontrib>Kaufman, Larry</creatorcontrib><creatorcontrib>Eagar, Thomas W.</creatorcontrib><title>Thermodynamic modeling of the ZrO system</title><title>Calphad</title><description>In this study, the complete zirconium-oxygen system has been critically assessed at 1
at. from 300°
C to liquidus temperatures. Thermochemical measurements and phase diagram data were used to model the Gibbs free energies of seven phases. Additionally, the ordered interstitial HCP-based solutions were included and considered as simple line compounds. By using the PARROT module in Thermo-Calc, it was possible to optimize the parameters of the models used to describe the Gibbs free energies of the
HCP,
BCC,
Liquid, γ
ZrO
2−
x
,β
ZrO
2−
x
and α
ZrO
2−
x
phases. The
Gas phase was considered to behave ideally. Although phase diagrams including the stoichiometric zirconia phases have been assessed, this is the first time, to the best of our knowledge that a complete assessment of this system is published.</description><subject>Chemical thermodynamics</subject><subject>Chemistry</subject><subject>Cross-disciplinary physics: materials science; rheology</subject><subject>Elements, mineral and organic compounds</subject><subject>Exact sciences and technology</subject><subject>General and physical chemistry</subject><subject>Materials science</subject><subject>Phase diagrams and microstructures developed by solidification and solid-solid phase transformations</subject><subject>Phase diagrams of other materials</subject><subject>Physics</subject><subject>Thermodynamic properties</subject><issn>0364-5916</issn><issn>1873-2984</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2002</creationdate><recordtype>article</recordtype><recordid>eNqFkE1KBDEQhYMoOI4eQeiNokhrUunudFYig38wMAvHjZuQTlc7kf4Zkx5hTuJVPJVnMPODLl1VUXyvHu8RcszoJaMsu3qiPEviVLLsjMI5pRREnO6QAcsFj0HmyS4Z_CL75MD7twAJzpMBuZjO0DVduWx1Y00UNqxt-xp1VdTPMHpx359fk8gvfY_NIdmrdO3xaDuH5Pnudjp6iMeT-8fRzTg2PMv7GEHwHLAwGmmZyJxSBlLKcOIAZVaxREgphAHUnBYokBesKMpSg2QgEPiQnG7-zl33vkDfq8Z6g3WtW-wWXoEQqUhlHsB0AxrXee-wUnNnG-2WilG1qkatq1Gr3IqCWlej0qA72Rpob3RdOd0a6__EPGPA0ixw1xsOQ9oPi055Y7E1WFqHpldlZ_9x-gGve3eY</recordid><startdate>20020301</startdate><enddate>20020301</enddate><creator>Arroyave, Raymundo</creator><creator>Kaufman, Larry</creator><creator>Eagar, Thomas W.</creator><general>Elsevier Ltd</general><general>Elsevier</general><scope>IQODW</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8BQ</scope><scope>8FD</scope><scope>JG9</scope></search><sort><creationdate>20020301</creationdate><title>Thermodynamic modeling of the ZrO system</title><author>Arroyave, Raymundo ; Kaufman, Larry ; Eagar, Thomas W.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c368t-e27382ebcae0d498001299982e322d6f1479977c2ea30be7e3b1bbdda29127e23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2002</creationdate><topic>Chemical thermodynamics</topic><topic>Chemistry</topic><topic>Cross-disciplinary physics: materials science; rheology</topic><topic>Elements, mineral and organic compounds</topic><topic>Exact sciences and technology</topic><topic>General and physical chemistry</topic><topic>Materials science</topic><topic>Phase diagrams and microstructures developed by solidification and solid-solid phase transformations</topic><topic>Phase diagrams of other materials</topic><topic>Physics</topic><topic>Thermodynamic properties</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Arroyave, Raymundo</creatorcontrib><creatorcontrib>Kaufman, Larry</creatorcontrib><creatorcontrib>Eagar, Thomas W.</creatorcontrib><collection>Pascal-Francis</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Materials Research Database</collection><jtitle>Calphad</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Arroyave, Raymundo</au><au>Kaufman, Larry</au><au>Eagar, Thomas W.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Thermodynamic modeling of the ZrO system</atitle><jtitle>Calphad</jtitle><date>2002-03-01</date><risdate>2002</risdate><volume>26</volume><issue>1</issue><spage>95</spage><epage>118</epage><pages>95-118</pages><issn>0364-5916</issn><eissn>1873-2984</eissn><coden>CCCTD6</coden><abstract>In this study, the complete zirconium-oxygen system has been critically assessed at 1
at. from 300°
C to liquidus temperatures. Thermochemical measurements and phase diagram data were used to model the Gibbs free energies of seven phases. Additionally, the ordered interstitial HCP-based solutions were included and considered as simple line compounds. By using the PARROT module in Thermo-Calc, it was possible to optimize the parameters of the models used to describe the Gibbs free energies of the
HCP,
BCC,
Liquid, γ
ZrO
2−
x
,β
ZrO
2−
x
and α
ZrO
2−
x
phases. The
Gas phase was considered to behave ideally. Although phase diagrams including the stoichiometric zirconia phases have been assessed, this is the first time, to the best of our knowledge that a complete assessment of this system is published.</abstract><cop>Amsterdam</cop><pub>Elsevier Ltd</pub><doi>10.1016/S0364-5916(02)00027-5</doi><tpages>24</tpages></addata></record> |
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| identifier | ISSN: 0364-5916 |
| ispartof | Calphad, 2002-03, Vol.26 (1), p.95-118 |
| issn | 0364-5916 1873-2984 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_27757598 |
| source | ScienceDirect Freedom Collection 2022-2024 |
| subjects | Chemical thermodynamics Chemistry Cross-disciplinary physics: materials science rheology Elements, mineral and organic compounds Exact sciences and technology General and physical chemistry Materials science Phase diagrams and microstructures developed by solidification and solid-solid phase transformations Phase diagrams of other materials Physics Thermodynamic properties |
| title | Thermodynamic modeling of the ZrO system |
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