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  <doc>
    <id>54304</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>15</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>226</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace>Amsterdam</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Revealing in-plane grain boundary composition features through machine learning from atom probe tomography data</title>
    <abstract language="eng">Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the atomic length scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability to quantify chemical characteristics at near-atomic scale. Using APT data sets, we present here a machine-learning-based approach for the automated quantification of chemical features of GBs. We trained a convolutional neural network (CNN) using twenty thousand synthesized images of grain interiors, GBs, or triple junctions. Such a trained CNN automatically detects the locations of GBs from APT data. Those GBs are then subjected to compositional mapping and analysis, including revealing their in-plane chemical decoration patterns. We applied this approach to experimentally obtained APT data sets pertaining to three case studies, namely, Ni-P, Pt-Au, and Al-Zn-Mg-Cu alloys. In the first case, we extracted GB specific segregation features as a function of misorientation and coincidence site lattice character. Secondly, we revealed interfacial excesses and in-plane chemical features that could not have been found by standard compositional analyses. Lastly, we tracked the temporal evolution of chemical decoration from early-stage solute GB segregation in the dilute limit to interfacial phase separation, characterized by the evolution of complex composition patterns. This machine-learning-based approach provides quantitative, unbiased, and automated access to GB chemical analyses, serving as an enabling tool for new discoveries related to interface thermodynamics, kinetics, and the associated chemistry-structure-property relations.</abstract>
    <parentTitle language="eng">Acta materialia</parentTitle>
    <identifier type="doi">10.1016/j.actamat.2022.117633</identifier>
    <identifier type="issn">1359-6454</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-543049</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">09.06.2022</enrichment>
    <licence>Creative Commons - CC BY-NC-ND - Namensnennung - Nicht kommerziell - Keine Bearbeitungen 4.0 International</licence>
    <author>X. Zhou</author>
    <author>Y. Wei</author>
    <author>M. Kühbach</author>
    <author>H. Zhao</author>
    <author>F. Vogel</author>
    <author>Reza Darvishi Kamachali</author>
    <author>G. B. Thompson</author>
    <author>D. Raabe</author>
    <author>B. Gault</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Machine learning</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Digitalization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alloy microstructure</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="themenfelder" number="">Degradationsmechanismen</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/54304/MachineLearning_GrainBoundary_2022.pdf</file>
  </doc>
  <doc>
    <id>50882</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>053603</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>4</volume>
    <type>article</type>
    <publisherName>American Physical Society</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Grain boundary energy effect on grain boundary segregation in an equiatomic high-entropy alloy</title>
    <abstract language="eng">Grain boundary (GB) Segregation has a substantial effect on the microstructure evolution and properties of polycrystalline alloys. The mechanism of nanoscale segregation at the various GBs in multicomponent alloys is of great challenge to reveal and remains elusive so far. To address this issue, we studied the GB segregation in a representative equiatomic FeMnNiCoCr high-entropy alloy (HEA) aged at 450 °C. By combining transmission Kikuchi diffraction, atom probe tomography analysis and a density-based thermodynamics modeling, we uncover the nanoscale segregation behavior at a series of well-characterized GBs of different characters. No segregation occurs at coherent twin boundaries; only slight nanoscale segregation of Ni takes place at the low-angle GBs and vicinal \Sigma 29b coincidence site lattice GBs. Ni and Mn show cosegregation of high levels at the general high-angle GBs with a strong depletion in Fe, Cr, and Co. Our density-based thermodynamic model reveals that the highly negative energy of mixing Ni and Mn is the main driving force for nanoscale cosegregation to the GBs. This is further assisted by the opposite segregation of Ni and Cr atoms with a positive enthalpy of mixing. It is also found that GBs of higher interfacial energy, possessing lower atomic densities (higher disorder and free volume), show higher segregation levels. By clarifying the origins of GB segregations in the FeMnNiCoCr HEA, the current work provides fundamental ideas on nanoscale segregation at crystal defects in multicomponent alloys.</abstract>
    <parentTitle language="eng">Physical Review Materials</parentTitle>
    <identifier type="doi">10.1103/PhysRevMaterials.4.053603</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-508827</identifier>
    <enrichment key="date_peer_review">17.06.2020</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>L. Li</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Z. Li</author>
    <author>Z. Zhang</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermodynamics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-Entropy Alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain Boundary Segregation</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/50882/Phys_Rev_Mat_2020_GB energy effect on GB Segregation in an equiatomic HEA.pdf</file>
  </doc>
  <doc>
    <id>54230</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>2022</volume>
    <type>article</type>
    <publisherName>Wiley</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Simulation of Hot Isostatic Pressing in a Single-Crystal Ni Base Superalloy with the Theory of Continuously Distributed Dislocations Combined with Vacancy Diffusion</title>
    <abstract language="eng">Single-crystal components made of nickel base superalloys contain pores after casting and homogenization heat treatment. Hot isostatic pressing (HIP), which is carried above the γ' -solvus temperature of the alloy, is industrially applied to reduce porosity. A modeling of HIP based on continuously distributed dislocations is developed in a 2D setting. Glide and climb of straight-edge dislocations, as well as vacancy diffusion, are the deformation mechanisms taken into account.&#13;
Thereby, dislocation glide is controlled by dragging a cloud of large atoms, and climb is controlled by vacancy diffusion. Relying on previous investigations of the creep behavior at HIP temperatures, it is assumed that new dislocations are nucleated at low-angle boundaries (LAB) and move through subgrains until they either reach the opposite LABs or react with other dislocations and annihilate.&#13;
Vacancies are created at the pore surface and diffuse through the alloy until they are either consumed by climbing dislocations or disappear at the LABs. The field equations are solved by finite elements. It is shown that pore shrinking is mostly controlled by vacancy diffusion as the shear stresses at the LABs are too low to&#13;
nucleate a sufficient amount of dislocations.</abstract>
    <parentTitle language="eng">Advanced Engineering Materials</parentTitle>
    <identifier type="doi">10.1002/adem.202101341</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-542309</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <enrichment key="date_peer_review">24.01.2022</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Titus Feldmann</author>
    <author>Bernard Fedelich</author>
    <author>A. Epishin</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nickel-base superalloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>HIP</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Dislocation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Creep</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Model</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="themenfelder" number="">Degradationsmechanismen</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/54230/AdvEngMater2021.pdf</file>
  </doc>
  <doc>
    <id>52097</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>152</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>11</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Investigation of Elastic Properties of the Single-Crystal Nickel-Base Superalloy CMSX-4 in the Temperature Interval between Room Temperature and 1300 °C</title>
    <abstract language="eng">The elastic properties of the single-crystal nickel-base superalloy CMSX-4 used as a blade material in gas turbines were investigated by the sonic resonance method in the temperature interval between room temperature and 1300 °C. Elastic constants at such high temperatures are needed to model the mechanical behavior of blade material during manufacturing (hot isostatic pressing) as well as during technical accidents which may happen in service (overheating). High reliability of the results was achieved using specimens of different crystallographic orientations, exciting various vibration modes as well as precise measurement of the material density and thermal Expansion required for modeling the resonance frequencies by finite element method. Combining the results measured in this work and literature data the elastic constants of the gamma and gamma' phases were predicted.&#13;
This prediction was supported by measurement of the temperature dependence of the gamma'fraction.&#13;
All data obtained in this work are given in numerical or analytical forms and can be easily used for different scientific and engineering calculations.</abstract>
    <parentTitle language="eng">Crystals</parentTitle>
    <identifier type="doi">10.3390/cryst11020152</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-520972</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.03.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>A. Epishin</author>
    <author>Bernard Fedelich</author>
    <author>Monika Finn</author>
    <author>Georgia Künecke</author>
    <author>Birgit Rehmer</author>
    <author>Gert Nolze</author>
    <author>C. Leistner</author>
    <author>N. Petrushin</author>
    <author>I. Svetlov</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nickel-base superalloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Single-crystals</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Characterization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elastic constants</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/52097/crystals-11-00152-v2.pdf</file>
  </doc>
  <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>
  <doc>
    <id>52220</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>116668</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>207</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Density-based grain boundary phase diagrams: Application to Fe-Mn-Cr, Fe-Mn-Ni, Fe-Mn-Co, Fe-Cr-Ni and Fe-Cr-Co alloy systems</title>
    <abstract language="eng">Phase diagrams are the roadmaps for designing bulk phases. Similar to bulk, grain boundaries can possess various phases, but their phase diagrams remain largely unknown. Using a recently introduced density-based model, here we devise a strategy for computing multi-component grain boundary phase diagrams based on available bulk (CALPHAD) thermodynamic data. Fe-Mn-Cr, Fe-Mn-Ni, Fe-Mn-Co, Fe-Cr-Ni and Fe-Cr-Co alloy systems, as important ternary bases for several trending steels and high-entropy alloys, are studied. We found that despite its solute segregation enrichment, a grain boundary can have lower solubility limit than its corresponding bulk, promoting an interfacial chemical decomposition upon solute segregation. This is revealed here for the Fe-Mn-base alloy systems. The origins of this counter-intuitive feature are traced back to two effects, i.e., the magnetic ordering effect and the low cohesive energy of Mn solute element. Different aspects of interfacial phase stability and GB co-segregation in ternary alloys are investigated as well. We show that the concentration gradient energy contributions reduce segregation level but increase grain boundary solubility limit, stabilizing the GB against a chemical decomposition. Density-based grain boundary phase diagrams offer guidelines for systematic investigation of interfacial phase changes with applications to microstructure defects engineering.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
    <identifier type="doi">10.1016/j.actamat.2021.116668</identifier>
    <identifier type="issn">1359-6454</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-522207</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">18.03.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Lei Wang</author>
    <author>Reza Darvishi Kamachali</author>
    <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>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain Boundary Phase Diagram</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>
    <collection role="themenfelder" number="">Materialdesign</collection>
    <thesisPublisher>Bundesanstalt für Materialforschung und -prüfung (BAM)</thesisPublisher>
    <file>https://opus4.kobv.de/opus4-bam/files/52220/Density_based_Defect_Phase_Diagrams.pdf</file>
  </doc>
  <doc>
    <id>52918</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>117054</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>215</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Spinodal Decomposition in Nanocrystalline Alloys</title>
    <abstract language="eng">For more than half a century, spinodal decomposition has been a key phenomenon in considering the formation of secondary phases in alloys. The most prominent aspect of the spinodal phenomenon is the lack of an energy barrier on its transformation pathway, offering an alternative to the nucleation and growth mechanism. The classical description of spinodal decomposition often neglects the influence of defects, such as grain boundaries, on the transformation because the innate ability for like-atoms to cluster is assumed to lead the process. Nevertheless, in nanocrystalline alloys, with a high population of grain boundaries with diverse characters, the structurally heterogeneous landscape can greatly influence the chemical decomposition behavior. Combining atom-probe tomography, precession electron diffraction and density-based phase-field simulations, we address how grain boundaries contribute to the temporal evolution of chemical decomposition within the miscibility gap of a Pt-Au nanocrystalline system. We found that grain boundaries can actually have their own miscibility gaps profoundly altering the spinodal decomposition in nanocrystalline alloys. A complex realm of multiple interfacial states, ranging from competitive grain boundary segregation to barrier-free low-dimensional interfacial decomposition, occurs with a dependency upon the grain boundary character.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
    <identifier type="doi">10.1016/j.actamat.2021.117054</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">21.09.2021</enrichment>
    <author>X. Zhou</author>
    <author>Reza Darvishi Kamachali</author>
    <author>B.L. Boyce</author>
    <author>B.G. Clark</author>
    <author>D. Raabe</author>
    <author>G.B. Thompson</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Density-based Thermodynamics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nanocrystalline alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Spinodal decomposition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Defects engineering</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 im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
</export-example>
