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  <doc>
    <id>51949</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>191</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>6</volume>
    <type>article</type>
    <publisherName>Nature</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries</title>
    <abstract language="eng">Segregation to grain boundaries affects their cohesion, corrosion, and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and low-dimensional phase separation at grain boundaries, here, we apply a density-based phase-field model. The current model describes the grain-boundary thermodynamic properties based on available bulk thermodynamic data, while the grain-boundary-density profile is obtained using atomistic simulations. To benchmark the performance of the model, Mn grain-boundary segregation in the Fe–Mn system is studied. 3D simulation results are compared against atom probe tomography measurements conducted for three alloy compositions. We show that a continuous increase in the alloy composition results in a discontinuous jump in the segregation isotherm. The jump corresponds to a spinodal Phase separation at grain boundary. For alloy compositions above the jump, we reveal an interfacial transient spinodal phase separation.&#13;
The transient spinodal phenomenon opens opportunities for knowledge-based microstructure design through the chemical manipulation of grain boundaries. The proposed density-based model provides a powerful tool to study thermodynamics and kinetics of segregation and phase changes at grain boundaries.</abstract>
    <parentTitle language="deu">NPJ Computational Materials</parentTitle>
    <identifier type="doi">10.1038/s41524-020-00456-7</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-519497</identifier>
    <enrichment key="date_peer_review">06.01.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Reza Darvishi Kamachali</author>
    <author>A. da Silva</author>
    <author>E. McEniry</author>
    <author>B. Gault</author>
    <author>J. Neugebauer</author>
    <author>D. Raabe</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain Boundary Spinodal</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Densty-based Thermodynamics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstrucrue Design</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
    <collection role="institutes" number="">5.2 Metallische Hochtemperaturwerkstoffe</collection>
    <collection role="institutes" number="">5.5 Materialmodellierung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="literaturgattung" number="">Verlagsliteratur</collection>
    <collection role="fulltextaccess" number="">Datei für die Öffentlichkeit verfügbar ("Open Access")</collection>
    <collection role="unnumberedseries" number="">Wissenschaftliche Artikel der BAM</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/51949/GB_Transient_Spinodal_npjComMat_2020.pdf</file>
  </doc>
</export-example>
