<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of hal-05374552</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-15T11:07:35+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Nanostructuration of sillicate glasses using water: a multiscale simulation investigation</title>
            <author role="crp">
              <persName>
                <forename type="first">Khalis</forename>
                <surname>Attou</surname>
              </persName>
              <email type="md5">286b296c974d6006f211755cf7c57f4e</email>
              <email type="domain">gmail.com</email>
              <idno type="idhal" notation="string">khalis-attou</idno>
              <idno type="idhal" notation="numeric">1422776</idno>
              <idno type="halauthorid" notation="string">3237374-1422776</idno>
              <idno type="ORCID">https://orcid.org/0009-0002-9518-1109</idno>
              <affiliation ref="#struct-57111"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Jean-Pierre</forename>
                <surname>Guin</surname>
              </persName>
              <email type="md5">5a7986ee332c61b26f263a55bb02a669</email>
              <email type="domain">univ-rennes1.fr</email>
              <idno type="idhal" notation="string">jean-pierre-guin</idno>
              <idno type="idhal" notation="numeric">877</idno>
              <idno type="halauthorid" notation="string">18935-877</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/A-5969-2009</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-2480-5893</idno>
              <idno type="IDREF">https://www.idref.fr/05937442X</idno>
              <affiliation ref="#struct-57111"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Denis</forename>
                <surname>Morineau</surname>
              </persName>
              <email type="md5">110f1335f1eac6c3900fc765fbe47c34</email>
              <email type="domain">univ-rennes1.fr</email>
              <idno type="idhal" notation="string">denis-morineau</idno>
              <idno type="idhal" notation="numeric">771</idno>
              <idno type="halauthorid" notation="string">54-771</idno>
              <idno type="ORCID">https://orcid.org/0000-0002-8784-3021</idno>
              <idno type="IDREF">https://www.idref.fr/114653976</idno>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Maxime</forename>
                <surname>Vassaux</surname>
              </persName>
              <email type="md5">66bc2d52391ee8075b638649f649237d</email>
              <email type="domain">lmt.ens-cachan.fr</email>
              <ptr type="url" target="https://github.com/mvassaux/"/>
              <idno type="idhal" notation="string">mvassaux</idno>
              <idno type="idhal" notation="numeric">3595</idno>
              <idno type="halauthorid" notation="string">25281-3595</idno>
              <idno type="ORCID">https://orcid.org/0000-0003-2975-0625</idno>
              <idno type="IDREF">https://www.idref.fr/185825885</idno>
              <idno type="GOOGLE SCHOLAR">https://scholar.google.fr/citations?user=YuBmBjIAAAAJ</idno>
              <idno type="VIAF">https://viaf.org/viaf/158145857985723021863</idno>
              <idno type="ISNI">http://isni.org/isni/000000045083912X</idno>
              <affiliation ref="#struct-57111"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Khalis</forename>
                <surname>Attou</surname>
              </persName>
              <email type="md5">4ac3885d877fe5377ae89ea376de9a3c</email>
              <email type="domain">univ-rennes.fr</email>
            </editor>
            <funder>Université de Rennes</funder>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2025-11-20 12:19:13</date>
              <date type="whenWritten">2025-03-05</date>
              <date type="whenModified">2025-11-27 15:53:19</date>
              <date type="whenReleased">2025-11-24 09:56:37</date>
              <date type="whenProduced">2025-03-10</date>
              <date type="whenEndEmbargoed">2025-11-20</date>
              <ref type="file" target="https://hal.science/hal-05374552v1/document">
                <date notBefore="2025-11-20"/>
              </ref>
              <ref type="file" subtype="author" n="1" target="https://hal.science/hal-05374552v1/file/Brazil.pdf" id="file-5374552-4597654">
                <date notBefore="2025-11-20"/>
              </ref>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="1584310">
                <persName>
                  <forename>Khalis</forename>
                  <surname>Attou</surname>
                </persName>
                <email type="md5">4ac3885d877fe5377ae89ea376de9a3c</email>
                <email type="domain">univ-rennes.fr</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">hal-05374552</idno>
            <idno type="halUri">https://hal.science/hal-05374552</idno>
            <idno type="halBibtex">attou:hal-05374552</idno>
            <idno type="halRefHtml">&lt;i&gt;Third São Carlos School of Glass and Glass-ceramics&lt;/i&gt;, Mar 2025, São Carlos (SP), Brazil. pp.1, 2025</idno>
            <idno type="halRef">Third São Carlos School of Glass and Glass-ceramics, Mar 2025, São Carlos (SP), Brazil. pp.1, 2025</idno>
            <availability status="restricted">
              <licence target="https://about.hal.science/hal-authorisation-v1/">HAL Authorization<ref corresp="#file-5374552-4597654"/></licence>
            </availability>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="UNIV-RENNES1">Université de Rennes 1</idno>
            <idno type="stamp" n="CNRS">CNRS - Centre national de la recherche scientifique</idno>
            <idno type="stamp" n="IPR">Institut de Physique de Rennes</idno>
            <idno type="stamp" n="IPR-MN" corresp="IPR">IPR - Matériaux Nanosciences</idno>
            <idno type="stamp" n="IPR-MV" corresp="IPR">IPR - Mécanique et Verres</idno>
            <idno type="stamp" n="ZZ-IPR-MN" corresp="IPR">test coll IPR MN par auteurs</idno>
            <idno type="stamp" n="UR1-SPM">Université de Rennes 1 - UFR Sciences et Propriétés de la Matière</idno>
            <idno type="stamp" n="UR1-UFR-SPM">UFR SPM Sciences et Propriétés de la Matière</idno>
            <idno type="stamp" n="UR1-HAL">Publications labos UR1 dans HAL-Rennes 1</idno>
            <idno type="stamp" n="UR1-SDLM">UR1 - publications SDLM</idno>
            <idno type="stamp" n="IVER">Institut des verres</idno>
            <idno type="stamp" n="TEST-UR-CSS">TEST Université de Rennes CSS</idno>
            <idno type="stamp" n="UNIV-RENNES">Université de Rennes</idno>
            <idno type="stamp" n="UR1-MMS">Pôle UnivRennes - Matériaux</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="2">International</note>
            <note type="invited" n="0">No</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
            <note type="proceedings" n="0">No</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Nanostructuration of sillicate glasses using water: a multiscale simulation investigation</title>
                <author role="crp">
                  <persName>
                    <forename type="first">Khalis</forename>
                    <surname>Attou</surname>
                  </persName>
                  <email type="md5">286b296c974d6006f211755cf7c57f4e</email>
                  <email type="domain">gmail.com</email>
                  <idno type="idhal" notation="string">khalis-attou</idno>
                  <idno type="idhal" notation="numeric">1422776</idno>
                  <idno type="halauthorid" notation="string">3237374-1422776</idno>
                  <idno type="ORCID">https://orcid.org/0009-0002-9518-1109</idno>
                  <affiliation ref="#struct-57111"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Jean-Pierre</forename>
                    <surname>Guin</surname>
                  </persName>
                  <email type="md5">5a7986ee332c61b26f263a55bb02a669</email>
                  <email type="domain">univ-rennes1.fr</email>
                  <idno type="idhal" notation="string">jean-pierre-guin</idno>
                  <idno type="idhal" notation="numeric">877</idno>
                  <idno type="halauthorid" notation="string">18935-877</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/A-5969-2009</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-2480-5893</idno>
                  <idno type="IDREF">https://www.idref.fr/05937442X</idno>
                  <affiliation ref="#struct-57111"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Denis</forename>
                    <surname>Morineau</surname>
                  </persName>
                  <email type="md5">110f1335f1eac6c3900fc765fbe47c34</email>
                  <email type="domain">univ-rennes1.fr</email>
                  <idno type="idhal" notation="string">denis-morineau</idno>
                  <idno type="idhal" notation="numeric">771</idno>
                  <idno type="halauthorid" notation="string">54-771</idno>
                  <idno type="ORCID">https://orcid.org/0000-0002-8784-3021</idno>
                  <idno type="IDREF">https://www.idref.fr/114653976</idno>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Maxime</forename>
                    <surname>Vassaux</surname>
                  </persName>
                  <email type="md5">66bc2d52391ee8075b638649f649237d</email>
                  <email type="domain">lmt.ens-cachan.fr</email>
                  <ptr type="url" target="https://github.com/mvassaux/"/>
                  <idno type="idhal" notation="string">mvassaux</idno>
                  <idno type="idhal" notation="numeric">3595</idno>
                  <idno type="halauthorid" notation="string">25281-3595</idno>
                  <idno type="ORCID">https://orcid.org/0000-0003-2975-0625</idno>
                  <idno type="IDREF">https://www.idref.fr/185825885</idno>
                  <idno type="GOOGLE SCHOLAR">https://scholar.google.fr/citations?user=YuBmBjIAAAAJ</idno>
                  <idno type="VIAF">https://viaf.org/viaf/158145857985723021863</idno>
                  <idno type="ISNI">http://isni.org/isni/000000045083912X</idno>
                  <affiliation ref="#struct-57111"/>
                </author>
              </analytic>
              <monogr>
                <meeting>
                  <title>Third São Carlos School of Glass and Glass-ceramics</title>
                  <date type="start">2025-03-10</date>
                  <date type="end">2025-03-15</date>
                  <settlement>São Carlos (SP)</settlement>
                  <country key="BR">Brazil</country>
                </meeting>
                <respStmt>
                  <resp>conferenceOrganizer</resp>
                  <name>Edgar Dutra ZANOTTO</name>
                </respStmt>
                <imprint>
                  <biblScope unit="pp">1</biblScope>
                  <date type="datePub">2025-03-05</date>
                </imprint>
              </monogr>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <keywords scheme="author">
                <term xml:lang="en">Nanoconfined water</term>
                <term xml:lang="en">Hydrous Glass</term>
                <term xml:lang="en">Force Field</term>
                <term xml:lang="en">Molecular Simulations</term>
                <term xml:lang="en">Material science</term>
              </keywords>
              <classCode scheme="halDomain" n="phys">Physics [physics]</classCode>
              <classCode scheme="halDomain" n="info">Computer Science [cs]</classCode>
              <classCode scheme="halDomain" n="spi.meca.mema">Engineering Sciences [physics]/Mechanics [physics.med-ph]/Mechanics of materials [physics.class-ph]</classCode>
              <classCode scheme="halDomain" n="spi.meca.msmeca">Engineering Sciences [physics]/Mechanics [physics.med-ph]/Materials and structures in mechanics [physics.class-ph]</classCode>
              <classCode scheme="halTypology" n="POSTER">Poster communications</classCode>
              <classCode scheme="halOldTypology" n="POSTER">Poster communications</classCode>
              <classCode scheme="halTreeTypology" n="POSTER">Poster communications</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>My thesis currently focuses on the study of the nanostructuration of water in silica glasses using computational approaches, specifically through molecular simulation and Monte Carlo methods. The objective is to simulate the synthesis process of pure silica glass by incorporating water and varying thermodynamic (temperature, pressure) and kinetic parameters. To accurately simulate this synthesis, it is essential to precisely describe the interactions between the elements, especially at very high temperatures and pressures. Recently, we discovered and discussed a new potential published by Dufils et al. (2020) for magmas, which allows us to accurately describe the water-silica melt system. In the next phase, we will simulate the water-glass demixing process using a phase-field approach to study the morphology of the formed nanostructures. Once these glasses are synthesized, we will characterize their various structural and thermodynamic properties. We will compare the results of the different methods to discuss our findings.</p>
            </abstract>
            <abstract xml:lang="fr">
              <p>Ma thèse porte actuellement sur l'étude de la nanostructuration de l'eau dans les verres de silice à l'aide d'approches computationnelles, notamment par simulation moléculaire et méthodes Monte Carlo. L'objectif est de simuler le processus de synthèse du verre de silice pur en incorporant de l'eau et en faisant varier les paramètres thermodynamiques (température, pression) et cinétiques. Pour simuler avec précision cette synthèse, il est essentiel de décrire avec précision les interactions entre les éléments, en particulier à des températures et des pressions très élevées. Récemment, nous avons découvert et discuté un nouveau potentiel publié par Dufils et al. (2020) pour les magmas, qui nous permet de décrire avec précision le système eau-silice en fusion. Dans la phase suivante, nous simulerons le processus de démixage eau-verre à l'aide d'une approche par champ de phase afin d'étudier la morphologie des nanostructures formées. Une fois ces verres synthétisés, nous caractériserons leurs différentes propriétés structurelles et thermodynamiques.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-57111" status="VALID">
          <idno type="IdRef">16177525X</idno>
          <idno type="ISNI">0000 0004 0452 3968 </idno>
          <idno type="RNSR">200812287A</idno>
          <idno type="ROR">https://ror.org/022b0h879</idno>
          <orgName>Institut de Physique de Rennes</orgName>
          <orgName type="acronym">IPR</orgName>
          <date type="start">2008</date>
          <desc>
            <address>
              <addrLine>Bâtiment 11A , B, C, E – 10B263 av. Général Leclerc35042 Rennes cedex FRANCE</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.ipr.univ-rennes1.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-105160" type="direct"/>
            <relation name="UMR6251" active="#struct-441569" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-105160" status="VALID">
          <idno type="IdRef">26693823X</idno>
          <idno type="ROR">https://ror.org/015m7wh34</idno>
          <orgName>Université de Rennes</orgName>
          <orgName type="acronym">UR</orgName>
          <desc>
            <address>
              <addrLine>Campus de Beaulieu, 263 avenue Général Leclerc, CS 74205, 35042 RENNES CEDEX</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.univ-rennes.fr/</ref>
          </desc>
        </org>
        <org type="regroupinstitution" xml:id="struct-441569" status="VALID">
          <idno type="IdRef">02636817X</idno>
          <idno type="ISNI">0000000122597504</idno>
          <idno type="ROR">https://ror.org/02feahw73</idno>
          <orgName>Centre National de la Recherche Scientifique</orgName>
          <orgName type="acronym">CNRS</orgName>
          <date type="start">1939-10-19</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://www.cnrs.fr/</ref>
          </desc>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>