Liquid Structure of Magnesium Aluminates
Magnesium aluminates (MgO) (Al O ) belong to a class of refractory materials with important applications in glass and glass-ceramic technologies. Typically, these materials are fabricated from high-temperature molten phases. However, due to the difficulties in making measurements at very high temper...
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| Veröffentlicht in: | Materials 2024-12, Vol.17 (24), p.6173 |
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| creator | Cristiglio, Viviana Pozdnyakova, Irina Bytchkov, Aleksei Cuello, Gabriel J Jahn, Sandro Zanghi, Didier Brassamin, Séverine Drewitt, James W E Hennet, Louis |
| description | Magnesium aluminates (MgO)
(Al
O
)
belong to a class of refractory materials with important applications in glass and glass-ceramic technologies. Typically, these materials are fabricated from high-temperature molten phases. However, due to the difficulties in making measurements at very high temperatures, information on liquid-state structure and properties is limited. In this work, we employed the method of aerodynamic levitation with CO
laser heating at large scale facilities to study the structure of liquid magnesium aluminates in the system (MgO)
(Al
O
)
, with
= 0.33, 0.5, and 0.75, using X-ray and neutron diffraction. We determined the structure factors and corresponding pair distribution functions, providing detailed information on the short-range structural order in the liquid state. The local structures were similar across the range of compositions studied, with average coordination numbers of n¯AlO∼4.5 and n¯MgO∼5.1 and interatomic distances of rAlO=1.76-1.78 Å and rMgO=1.93-1.95 Å. The results are in good agreement with previous molecular dynamics simulations. For the spinel endmember MgAl
O
(
= 0.5), the average Mg-O and Al-O coordination numbers gave rise to conflicting values for the inversion coefficient χ, indicating that the structural formula used to describe the solid-state order-disorder transition is not applicable in the liquid state. |
| doi_str_mv | 10.3390/ma17246173 |
| format | Article |
| fullrecord | <record><control><sourceid>gale_hal_p</sourceid><recordid>TN_cdi_hal_primary_oai_HAL_hal_04845874v1</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><galeid>A821913786</galeid><sourcerecordid>A821913786</sourcerecordid><originalsourceid>FETCH-LOGICAL-c277t-2701fe9cb294bbc18bd72ae489fa26dbd3b5c95b799ed7a045994cfa370a7e1f3</originalsourceid><addsrcrecordid>eNpd0UtLXDEUB_BQlDqMbvoByoAbFUbzuvfkLIfBR2HEhe065OYmNnIfY3Ij-O2bYdSWJouEwy-HE_6EfGP0UgikV71hwGXNQHwhM4ZYLxlKefDP_YicpPRMyxKCKY5fyZFAqBFAzsjZJrzk0C4ep5jtlKNbjH5xb54Gl0LuF6su92Ewk0vH5NCbLrmT93NOft1c_1zfLTcPtz_Wq83ScoBpyYEy79A2HGXTWKaaFrhxUqE3vG6bVjSVxaoBRNeCobJClNYbAdSAY17Myfm-72_T6W0MvYlvejRB3602elejUslKgXxlxZ7t7TaOL9mlSfchWdd1ZnBjTlqwSiigvKoLPf2PPo85DuUnRUkEWlGqirrcqyfTOR0GP07R2LJb1wc7Ds6HUl8pzpAJULu2F_sHNo4pRec_R2ZU7_LRf_Mp-Pv7DLnpXftJP9IQfwCTP4c7</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>3149705008</pqid></control><display><type>article</type><title>Liquid Structure of Magnesium Aluminates</title><source>MDPI - Multidisciplinary Digital Publishing Institute</source><source>EZB-FREE-00999 freely available EZB journals</source><source>PubMed Central</source><source>Free Full-Text Journals in Chemistry</source><source>PubMed Central Open Access</source><creator>Cristiglio, Viviana ; Pozdnyakova, Irina ; Bytchkov, Aleksei ; Cuello, Gabriel J ; Jahn, Sandro ; Zanghi, Didier ; Brassamin, Séverine ; Drewitt, James W E ; Hennet, Louis</creator><creatorcontrib>Cristiglio, Viviana ; Pozdnyakova, Irina ; Bytchkov, Aleksei ; Cuello, Gabriel J ; Jahn, Sandro ; Zanghi, Didier ; Brassamin, Séverine ; Drewitt, James W E ; Hennet, Louis</creatorcontrib><description>Magnesium aluminates (MgO)
(Al
O
)
belong to a class of refractory materials with important applications in glass and glass-ceramic technologies. Typically, these materials are fabricated from high-temperature molten phases. However, due to the difficulties in making measurements at very high temperatures, information on liquid-state structure and properties is limited. In this work, we employed the method of aerodynamic levitation with CO
laser heating at large scale facilities to study the structure of liquid magnesium aluminates in the system (MgO)
(Al
O
)
, with
= 0.33, 0.5, and 0.75, using X-ray and neutron diffraction. We determined the structure factors and corresponding pair distribution functions, providing detailed information on the short-range structural order in the liquid state. The local structures were similar across the range of compositions studied, with average coordination numbers of n¯AlO∼4.5 and n¯MgO∼5.1 and interatomic distances of rAlO=1.76-1.78 Å and rMgO=1.93-1.95 Å. The results are in good agreement with previous molecular dynamics simulations. For the spinel endmember MgAl
O
(
= 0.5), the average Mg-O and Al-O coordination numbers gave rise to conflicting values for the inversion coefficient χ, indicating that the structural formula used to describe the solid-state order-disorder transition is not applicable in the liquid state.</description><identifier>ISSN: 1996-1944</identifier><identifier>EISSN: 1996-1944</identifier><identifier>DOI: 10.3390/ma17246173</identifier><identifier>PMID: 39769774</identifier><language>eng</language><publisher>Switzerland: MDPI AG</publisher><subject>Aluminum compounds ; Aluminum oxide ; Carbon dioxide ; Carbon dioxide lasers ; Chemical Sciences ; Composite materials ; Condensed Matter ; Coordination numbers ; Distribution (Probability theory) ; Distribution functions ; Dynamic structural analysis ; Fourier transforms ; Gas flow ; Glass ; Glass ceramics ; High temperature ; Laser beam heating ; Lasers ; Levitation ; Magnesium aluminate ; Magnesium oxide ; Material chemistry ; Molecular dynamics ; Neutron diffraction ; Neutrons ; Nitrates ; NMR ; Nuclear magnetic resonance ; Optics ; Order-disorder transformations ; Physics ; Refractories industry ; Refractory materials ; Spinel group ; Temperature</subject><ispartof>Materials, 2024-12, Vol.17 (24), p.6173</ispartof><rights>COPYRIGHT 2024 MDPI AG</rights><rights>2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/). Notwithstanding the ProQuest Terms and Conditions, you may use this content in accordance with the terms of the License.</rights><rights>Distributed under a Creative Commons Attribution 4.0 International License</rights><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed><cites>FETCH-LOGICAL-c277t-2701fe9cb294bbc18bd72ae489fa26dbd3b5c95b799ed7a045994cfa370a7e1f3</cites><orcidid>0000-0003-3608-9222 ; 0000-0002-3510-4155 ; 0000-0002-2992-4800 ; 0000-0003-3844-0602 ; 0000-0002-3355-4400 ; 0000-0002-2137-8833</orcidid></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,27901,27902</link.rule.ids><backlink>$$Uhttps://www.ncbi.nlm.nih.gov/pubmed/39769774$$D View this record in MEDLINE/PubMed$$Hfree_for_read</backlink><backlink>$$Uhttps://hal.science/hal-04845874$$DView record in HAL$$Hfree_for_read</backlink></links><search><creatorcontrib>Cristiglio, Viviana</creatorcontrib><creatorcontrib>Pozdnyakova, Irina</creatorcontrib><creatorcontrib>Bytchkov, Aleksei</creatorcontrib><creatorcontrib>Cuello, Gabriel J</creatorcontrib><creatorcontrib>Jahn, Sandro</creatorcontrib><creatorcontrib>Zanghi, Didier</creatorcontrib><creatorcontrib>Brassamin, Séverine</creatorcontrib><creatorcontrib>Drewitt, James W E</creatorcontrib><creatorcontrib>Hennet, Louis</creatorcontrib><title>Liquid Structure of Magnesium Aluminates</title><title>Materials</title><addtitle>Materials (Basel)</addtitle><description>Magnesium aluminates (MgO)
(Al
O
)
belong to a class of refractory materials with important applications in glass and glass-ceramic technologies. Typically, these materials are fabricated from high-temperature molten phases. However, due to the difficulties in making measurements at very high temperatures, information on liquid-state structure and properties is limited. In this work, we employed the method of aerodynamic levitation with CO
laser heating at large scale facilities to study the structure of liquid magnesium aluminates in the system (MgO)
(Al
O
)
, with
= 0.33, 0.5, and 0.75, using X-ray and neutron diffraction. We determined the structure factors and corresponding pair distribution functions, providing detailed information on the short-range structural order in the liquid state. The local structures were similar across the range of compositions studied, with average coordination numbers of n¯AlO∼4.5 and n¯MgO∼5.1 and interatomic distances of rAlO=1.76-1.78 Å and rMgO=1.93-1.95 Å. The results are in good agreement with previous molecular dynamics simulations. For the spinel endmember MgAl
O
(
= 0.5), the average Mg-O and Al-O coordination numbers gave rise to conflicting values for the inversion coefficient χ, indicating that the structural formula used to describe the solid-state order-disorder transition is not applicable in the liquid state.</description><subject>Aluminum compounds</subject><subject>Aluminum oxide</subject><subject>Carbon dioxide</subject><subject>Carbon dioxide lasers</subject><subject>Chemical Sciences</subject><subject>Composite materials</subject><subject>Condensed Matter</subject><subject>Coordination numbers</subject><subject>Distribution (Probability theory)</subject><subject>Distribution functions</subject><subject>Dynamic structural analysis</subject><subject>Fourier transforms</subject><subject>Gas flow</subject><subject>Glass</subject><subject>Glass ceramics</subject><subject>High temperature</subject><subject>Laser beam heating</subject><subject>Lasers</subject><subject>Levitation</subject><subject>Magnesium aluminate</subject><subject>Magnesium oxide</subject><subject>Material chemistry</subject><subject>Molecular dynamics</subject><subject>Neutron diffraction</subject><subject>Neutrons</subject><subject>Nitrates</subject><subject>NMR</subject><subject>Nuclear magnetic resonance</subject><subject>Optics</subject><subject>Order-disorder transformations</subject><subject>Physics</subject><subject>Refractories industry</subject><subject>Refractory materials</subject><subject>Spinel group</subject><subject>Temperature</subject><issn>1996-1944</issn><issn>1996-1944</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2024</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><recordid>eNpd0UtLXDEUB_BQlDqMbvoByoAbFUbzuvfkLIfBR2HEhe065OYmNnIfY3Ij-O2bYdSWJouEwy-HE_6EfGP0UgikV71hwGXNQHwhM4ZYLxlKefDP_YicpPRMyxKCKY5fyZFAqBFAzsjZJrzk0C4ep5jtlKNbjH5xb54Gl0LuF6su92Ewk0vH5NCbLrmT93NOft1c_1zfLTcPtz_Wq83ScoBpyYEy79A2HGXTWKaaFrhxUqE3vG6bVjSVxaoBRNeCobJClNYbAdSAY17Myfm-72_T6W0MvYlvejRB3602elejUslKgXxlxZ7t7TaOL9mlSfchWdd1ZnBjTlqwSiigvKoLPf2PPo85DuUnRUkEWlGqirrcqyfTOR0GP07R2LJb1wc7Ds6HUl8pzpAJULu2F_sHNo4pRec_R2ZU7_LRf_Mp-Pv7DLnpXftJP9IQfwCTP4c7</recordid><startdate>20241217</startdate><enddate>20241217</enddate><creator>Cristiglio, Viviana</creator><creator>Pozdnyakova, Irina</creator><creator>Bytchkov, Aleksei</creator><creator>Cuello, Gabriel J</creator><creator>Jahn, Sandro</creator><creator>Zanghi, Didier</creator><creator>Brassamin, Séverine</creator><creator>Drewitt, James W E</creator><creator>Hennet, Louis</creator><general>MDPI AG</general><general>MDPI</general><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7SR</scope><scope>8FD</scope><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>JG9</scope><scope>KB.</scope><scope>PDBOC</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>7X8</scope><scope>1XC</scope><scope>VOOES</scope><orcidid>https://orcid.org/0000-0003-3608-9222</orcidid><orcidid>https://orcid.org/0000-0002-3510-4155</orcidid><orcidid>https://orcid.org/0000-0002-2992-4800</orcidid><orcidid>https://orcid.org/0000-0003-3844-0602</orcidid><orcidid>https://orcid.org/0000-0002-3355-4400</orcidid><orcidid>https://orcid.org/0000-0002-2137-8833</orcidid></search><sort><creationdate>20241217</creationdate><title>Liquid Structure of Magnesium Aluminates</title><author>Cristiglio, Viviana ; Pozdnyakova, Irina ; Bytchkov, Aleksei ; Cuello, Gabriel J ; Jahn, Sandro ; Zanghi, Didier ; Brassamin, Séverine ; Drewitt, James W E ; Hennet, Louis</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c277t-2701fe9cb294bbc18bd72ae489fa26dbd3b5c95b799ed7a045994cfa370a7e1f3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2024</creationdate><topic>Aluminum compounds</topic><topic>Aluminum oxide</topic><topic>Carbon dioxide</topic><topic>Carbon dioxide lasers</topic><topic>Chemical Sciences</topic><topic>Composite materials</topic><topic>Condensed Matter</topic><topic>Coordination numbers</topic><topic>Distribution (Probability theory)</topic><topic>Distribution functions</topic><topic>Dynamic structural analysis</topic><topic>Fourier transforms</topic><topic>Gas flow</topic><topic>Glass</topic><topic>Glass ceramics</topic><topic>High temperature</topic><topic>Laser beam heating</topic><topic>Lasers</topic><topic>Levitation</topic><topic>Magnesium aluminate</topic><topic>Magnesium oxide</topic><topic>Material chemistry</topic><topic>Molecular dynamics</topic><topic>Neutron diffraction</topic><topic>Neutrons</topic><topic>Nitrates</topic><topic>NMR</topic><topic>Nuclear magnetic resonance</topic><topic>Optics</topic><topic>Order-disorder transformations</topic><topic>Physics</topic><topic>Refractories industry</topic><topic>Refractory materials</topic><topic>Spinel group</topic><topic>Temperature</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Cristiglio, Viviana</creatorcontrib><creatorcontrib>Pozdnyakova, Irina</creatorcontrib><creatorcontrib>Bytchkov, Aleksei</creatorcontrib><creatorcontrib>Cuello, Gabriel J</creatorcontrib><creatorcontrib>Jahn, Sandro</creatorcontrib><creatorcontrib>Zanghi, Didier</creatorcontrib><creatorcontrib>Brassamin, Séverine</creatorcontrib><creatorcontrib>Drewitt, James W E</creatorcontrib><creatorcontrib>Hennet, Louis</creatorcontrib><collection>PubMed</collection><collection>CrossRef</collection><collection>Engineered Materials Abstracts</collection><collection>Technology Research Database</collection><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni Edition)</collection><collection>ProQuest Central UK/Ireland</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Materials Science Collection</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>Materials Research Database</collection><collection>Materials Science Database</collection><collection>Materials Science Collection</collection><collection>Publicly Available Content Database</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>MEDLINE - Academic</collection><collection>Hyper Article en Ligne (HAL)</collection><collection>Hyper Article en Ligne (HAL) (Open Access)</collection><jtitle>Materials</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Cristiglio, Viviana</au><au>Pozdnyakova, Irina</au><au>Bytchkov, Aleksei</au><au>Cuello, Gabriel J</au><au>Jahn, Sandro</au><au>Zanghi, Didier</au><au>Brassamin, Séverine</au><au>Drewitt, James W E</au><au>Hennet, Louis</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Liquid Structure of Magnesium Aluminates</atitle><jtitle>Materials</jtitle><addtitle>Materials (Basel)</addtitle><date>2024-12-17</date><risdate>2024</risdate><volume>17</volume><issue>24</issue><spage>6173</spage><pages>6173-</pages><issn>1996-1944</issn><eissn>1996-1944</eissn><abstract>Magnesium aluminates (MgO)
(Al
O
)
belong to a class of refractory materials with important applications in glass and glass-ceramic technologies. Typically, these materials are fabricated from high-temperature molten phases. However, due to the difficulties in making measurements at very high temperatures, information on liquid-state structure and properties is limited. In this work, we employed the method of aerodynamic levitation with CO
laser heating at large scale facilities to study the structure of liquid magnesium aluminates in the system (MgO)
(Al
O
)
, with
= 0.33, 0.5, and 0.75, using X-ray and neutron diffraction. We determined the structure factors and corresponding pair distribution functions, providing detailed information on the short-range structural order in the liquid state. The local structures were similar across the range of compositions studied, with average coordination numbers of n¯AlO∼4.5 and n¯MgO∼5.1 and interatomic distances of rAlO=1.76-1.78 Å and rMgO=1.93-1.95 Å. The results are in good agreement with previous molecular dynamics simulations. For the spinel endmember MgAl
O
(
= 0.5), the average Mg-O and Al-O coordination numbers gave rise to conflicting values for the inversion coefficient χ, indicating that the structural formula used to describe the solid-state order-disorder transition is not applicable in the liquid state.</abstract><cop>Switzerland</cop><pub>MDPI AG</pub><pmid>39769774</pmid><doi>10.3390/ma17246173</doi><orcidid>https://orcid.org/0000-0003-3608-9222</orcidid><orcidid>https://orcid.org/0000-0002-3510-4155</orcidid><orcidid>https://orcid.org/0000-0002-2992-4800</orcidid><orcidid>https://orcid.org/0000-0003-3844-0602</orcidid><orcidid>https://orcid.org/0000-0002-3355-4400</orcidid><orcidid>https://orcid.org/0000-0002-2137-8833</orcidid><oa>free_for_read</oa></addata></record> |
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| source | MDPI - Multidisciplinary Digital Publishing Institute; EZB-FREE-00999 freely available EZB journals; PubMed Central; Free Full-Text Journals in Chemistry; PubMed Central Open Access |
| subjects | Aluminum compounds Aluminum oxide Carbon dioxide Carbon dioxide lasers Chemical Sciences Composite materials Condensed Matter Coordination numbers Distribution (Probability theory) Distribution functions Dynamic structural analysis Fourier transforms Gas flow Glass Glass ceramics High temperature Laser beam heating Lasers Levitation Magnesium aluminate Magnesium oxide Material chemistry Molecular dynamics Neutron diffraction Neutrons Nitrates NMR Nuclear magnetic resonance Optics Order-disorder transformations Physics Refractories industry Refractory materials Spinel group Temperature |
| title | Liquid Structure of Magnesium Aluminates |
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