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  <doc>
    <id>61806</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>9</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume/>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Materials Design by Constructing Phase Diagrams for Defects</title>
    <abstract language="eng">Phase transformations and crystallographic defects are two essential tools todrive innovations in materials. Bulk materials design via tuning chemicalcompositions is systematized using phase diagrams. It is shown here that thesame thermodynamic concept can be applied to manipulate the chemistry atdefects. Grain boundaries in Mg–Ga system are chosen as a model system,because Ga segregates to the boundaries, while simultaneously improving thestrength and ductility of Mg alloys. To reveal the role of grain boundaries,correlated atomic-scale characterization and simulation to scope and buildphase diagrams for defects are presented. The discovery is enabled bytriggering phase transformations of individual grain boundaries through localalloying, and sequentially imaging the structural and chemical changes usingatomic-resolution scanning transmission electron microscopy. Ab initiosimulations determined the thermodynamic stability of grain boundaryphases, and found out that increasing Ga content enhances grain boundarycohesion, relating to improved ductility. The methodology to trigger, trace,and simulate defect transformation at atomic resolution enables a systematicdevelopment of defect phase diagrams, providing a valuable tool to utilizechemical complexity and phase transformations at defects.</abstract>
    <parentTitle language="eng">Advanced Materials</parentTitle>
    <identifier type="doi">10.1002/adma.202402191</identifier>
    <identifier type="issn">1521-4095</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-618063</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">28.11.2024</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>X. Zhou</author>
    <author>P. Mathews</author>
    <author>B. Berkels</author>
    <author>W. Delis</author>
    <author>S. Saood</author>
    <author>A. Alhassan</author>
    <author>P. Keuter</author>
    <author>J. Schneider</author>
    <author>S. Korte-Kerzel</author>
    <author>S. Sandlöbes</author>
    <author>D. Raabe</author>
    <author>j. Neugebauer</author>
    <author>G. Dehm</author>
    <author>Tilmann Hickel</author>
    <author>C. Scheu</author>
    <author>S. Zhang</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Automatic pattern recognition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Defect phase diagram</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Density functional theory</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary complexion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Transmission electron microscopy</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">6 Materialchemie</collection>
    <collection role="institutes" number="">6.4 Materialinformatik</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>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/61806/Advanced Materials - 2024 - Zhou - Materials Design by Constructing Phase Diagrams for Defects.pdf</file>
  </doc>
</export-example>
