What Is the Actual Local Crystalline Structure of Uranium Dioxide, UO 2 ? A New Perspective for the Most Used Nuclear Fuel
Up to now, uranium dioxide, the most used nuclear fuel, was said to have a Fm3̅m crystalline structure from 30 to 3000 K, and its behavior was modeled under this assumption. However, recently X-ray diffraction experiments provided atomic pair-distribution functions of UO , in which UO distance was s...
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Veröffentlicht in: | Inorganic chemistry 2017-01, Vol.56 (1), p.321-326 |
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creator | Desgranges, L Ma, Y Garcia, Ph Baldinozzi, G Siméone, D Fischer, H E |
description | Up to now, uranium dioxide, the most used nuclear fuel, was said to have a Fm3̅m crystalline structure from 30 to 3000 K, and its behavior was modeled under this assumption. However, recently X-ray diffraction experiments provided atomic pair-distribution functions of UO
, in which UO distance was shorter than the expected value for the Fm3̅m space group. Here we show neutron diffraction results that confirm this shorter UO bond, and we also modeled the corresponding pair-distribution function showing that UO
has a local Pa3̅ symmetry. The existence of a local lower symmetry in UO
could explain some unexpected properties of UO
that would justify UO
modeling to be reassessed. It also deserves more study from an academic point of view because of its good thermoelectric properties that may originate from its particular crystalline structure. |
doi_str_mv | 10.1021/acs.inorgchem.6b02111 |
format | Article |
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, in which UO distance was shorter than the expected value for the Fm3̅m space group. Here we show neutron diffraction results that confirm this shorter UO bond, and we also modeled the corresponding pair-distribution function showing that UO
has a local Pa3̅ symmetry. The existence of a local lower symmetry in UO
could explain some unexpected properties of UO
that would justify UO
modeling to be reassessed. It also deserves more study from an academic point of view because of its good thermoelectric properties that may originate from its particular crystalline structure.</description><identifier>ISSN: 0020-1669</identifier><identifier>EISSN: 1520-510X</identifier><identifier>DOI: 10.1021/acs.inorgchem.6b02111</identifier><identifier>PMID: 27977186</identifier><language>eng</language><publisher>United States: American Chemical Society</publisher><subject>Engineering Sciences ; Materials</subject><ispartof>Inorganic chemistry, 2017-01, Vol.56 (1), p.321-326</ispartof><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c1556-44e589f4a5aa164bff34c8c460307f44e860632b5075a716e4c5587bc83daaf23</citedby><cites>FETCH-LOGICAL-c1556-44e589f4a5aa164bff34c8c460307f44e860632b5075a716e4c5587bc83daaf23</cites><orcidid>0000-0002-6327-3482 ; 0000-0002-6909-0716 ; 0000-0002-2787-4221</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,2752,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/27977186$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://centralesupelec.hal.science/hal-02317105$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Desgranges, L</creatorcontrib><creatorcontrib>Ma, Y</creatorcontrib><creatorcontrib>Garcia, Ph</creatorcontrib><creatorcontrib>Baldinozzi, G</creatorcontrib><creatorcontrib>Siméone, D</creatorcontrib><creatorcontrib>Fischer, H E</creatorcontrib><title>What Is the Actual Local Crystalline Structure of Uranium Dioxide, UO 2 ? A New Perspective for the Most Used Nuclear Fuel</title><title>Inorganic chemistry</title><addtitle>Inorg Chem</addtitle><description>Up to now, uranium dioxide, the most used nuclear fuel, was said to have a Fm3̅m crystalline structure from 30 to 3000 K, and its behavior was modeled under this assumption. However, recently X-ray diffraction experiments provided atomic pair-distribution functions of UO
, in which UO distance was shorter than the expected value for the Fm3̅m space group. Here we show neutron diffraction results that confirm this shorter UO bond, and we also modeled the corresponding pair-distribution function showing that UO
has a local Pa3̅ symmetry. The existence of a local lower symmetry in UO
could explain some unexpected properties of UO
that would justify UO
modeling to be reassessed. It also deserves more study from an academic point of view because of its good thermoelectric properties that may originate from its particular crystalline structure.</description><subject>Engineering Sciences</subject><subject>Materials</subject><issn>0020-1669</issn><issn>1520-510X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2017</creationdate><recordtype>article</recordtype><recordid>eNo9kN9PwjAQxxujEUT_BM29mjhs17UbT4agCAmCiRJ9W7ru6mYGI-2G4l_vEOTl7vL9cQ8fQi4Z7TLqs1ulXTdflvZDZ7joyqTRGDsibSZ86glG349Jm9LmZlL2WuTMuU9KaY8H8pS0_LAXhiySbfLzlqkKxg6qDKGvq1oVMCl1Mwd24ypVFPkS4aWydeNZhNLA3KplXi_gPi-_8xRvYD4DH-6gD1P8gme0boW6ytcIprR_f59KV8HcYQrTWheoLAxrLM7JiVGFw4v97pD58OF1MPIms8fxoD_xNBNCekGAIuqZQAmlmAwSY3igIx1IymloGjeSVHI_ETQUKmQSAy1EFCY64qlSxucdcr37m6kiXtl8oewmLlUej_qTeKtRn7OQUbFmTVbsstqWzlk0hwKj8ZZ73HCPD9zjPfemd7Xrrepkgemh9Q-a_wJqWYCy</recordid><startdate>20170103</startdate><enddate>20170103</enddate><creator>Desgranges, L</creator><creator>Ma, Y</creator><creator>Garcia, Ph</creator><creator>Baldinozzi, G</creator><creator>Siméone, D</creator><creator>Fischer, H E</creator><general>American Chemical Society</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>1XC</scope><orcidid>https://orcid.org/0000-0002-6327-3482</orcidid><orcidid>https://orcid.org/0000-0002-6909-0716</orcidid><orcidid>https://orcid.org/0000-0002-2787-4221</orcidid></search><sort><creationdate>20170103</creationdate><title>What Is the Actual Local Crystalline Structure of Uranium Dioxide, UO 2 ? A New Perspective for the Most Used Nuclear Fuel</title><author>Desgranges, L ; Ma, Y ; Garcia, Ph ; Baldinozzi, G ; Siméone, D ; Fischer, H E</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c1556-44e589f4a5aa164bff34c8c460307f44e860632b5075a716e4c5587bc83daaf23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2017</creationdate><topic>Engineering Sciences</topic><topic>Materials</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Desgranges, L</creatorcontrib><creatorcontrib>Ma, Y</creatorcontrib><creatorcontrib>Garcia, Ph</creatorcontrib><creatorcontrib>Baldinozzi, G</creatorcontrib><creatorcontrib>Siméone, D</creatorcontrib><creatorcontrib>Fischer, H E</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Hyper Article en Ligne (HAL)</collection><jtitle>Inorganic chemistry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Desgranges, L</au><au>Ma, Y</au><au>Garcia, Ph</au><au>Baldinozzi, G</au><au>Siméone, D</au><au>Fischer, H E</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>What Is the Actual Local Crystalline Structure of Uranium Dioxide, UO 2 ? A New Perspective for the Most Used Nuclear Fuel</atitle><jtitle>Inorganic chemistry</jtitle><addtitle>Inorg Chem</addtitle><date>2017-01-03</date><risdate>2017</risdate><volume>56</volume><issue>1</issue><spage>321</spage><epage>326</epage><pages>321-326</pages><issn>0020-1669</issn><eissn>1520-510X</eissn><abstract>Up to now, uranium dioxide, the most used nuclear fuel, was said to have a Fm3̅m crystalline structure from 30 to 3000 K, and its behavior was modeled under this assumption. However, recently X-ray diffraction experiments provided atomic pair-distribution functions of UO
, in which UO distance was shorter than the expected value for the Fm3̅m space group. Here we show neutron diffraction results that confirm this shorter UO bond, and we also modeled the corresponding pair-distribution function showing that UO
has a local Pa3̅ symmetry. The existence of a local lower symmetry in UO
could explain some unexpected properties of UO
that would justify UO
modeling to be reassessed. It also deserves more study from an academic point of view because of its good thermoelectric properties that may originate from its particular crystalline structure.</abstract><cop>United States</cop><pub>American Chemical Society</pub><pmid>27977186</pmid><doi>10.1021/acs.inorgchem.6b02111</doi><tpages>6</tpages><orcidid>https://orcid.org/0000-0002-6327-3482</orcidid><orcidid>https://orcid.org/0000-0002-6909-0716</orcidid><orcidid>https://orcid.org/0000-0002-2787-4221</orcidid></addata></record> |
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title | What Is the Actual Local Crystalline Structure of Uranium Dioxide, UO 2 ? A New Perspective for the Most Used Nuclear Fuel |
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