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    <title language="eng">Segregation-induced grain-boundary precipitation during early stages of liquid-metal embrittlement of an advanced high-strength steel</title>
    <abstract language="eng">Liquid-metal embrittlement (LME) of galvanized (Zn-coated) advanced high-strength steels is a long-known problem in materials science. Here we reveal the initial microstructural processes underneath the Zn-coating that lead to LME-microcrack initiation in the steel substrate. We track the microstructural evolution during the first tens of milliseconds and find pronounced signatures of Fe-Zn intermetallic precipitation in both ferrite grain boundaries and at internal ferrite-oxide phase boundaries. In concert with novel CALPHAD-integrated density-based thermodynamic modelling, we demonstrate that Zn-rich intermetallic phase-nucleation can occur at markedly low processing temperatures due to a segregation transition. We show that a small Znenrichment caused by Zn bulk-diffusion during the initial temperature rise in a joining process is sufficient to induce the segregation transition and subsequent nucleation of Fe-Zn intermetallic grain-boundary phases, which the experiments link to crack initiation sites. These findings direct focus onto LME-controlling microstructural and thermodynamic phenomena at temperatures below the ductility trough and the austenite formation temperature.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
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    <author>Yuki Ikeda</author>
    <author>H.C. Ni</author>
    <author>A. Chakraborty</author>
    <author>H. Ghassemi-Armaki</author>
    <author>J.M. Zuo</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Robert Maaß</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Resistance spot welding</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Liquid-metal embrittlement</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Steels</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundaries</value>
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  <doc>
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    <title language="eng">Thermodynamics of grain boundary segregation transition and their relevance for liquid metal embrittlement in Fe-Zn system</title>
    <abstract language="eng">Grain boundaries (GBs) are common sites of failure in polycrystalline materials. Recently, a massive Zn segregation transition at Fe GBs was discovered and shown to act as a potent precursor of liquid metal embrittlement (LME) in the Fe-Zn system (Kamachali et al., Scripta Materialia 238 (2024) 115758). In this study, we elaborate on how temperature, GB type and the chemo-structurally coupled phase decomposition at the GB impact this segregation transition. CALPHAD and atomistic simulation data were utilized as inputs to conduct quantitative density-based thermodynamic modeling and phase-field simulations across various GBs, alloy compositions, and temperatures. We reveal that once the segregation transition becomes possible, the GB structural variation stabilizes spinodally formed Zn-rich phases within the GB region, with a higher tendency in disordered GBs. GB phase diagrams were constructed to identify and analyze the range of critical temperatures and alloy compositions associated with the segregation transition. The phase diagrams reveal that the miscibility gap for more disordered GB expands and, although the segregation transition is inevitable and occurs for all GBs, the barrier to triggering it is lower for more disordered GBs. Based on our thermodynamic analyses, potential processing modifications and GB engineering strategies for mitigating segregation-induced LME are thoroughly discussed.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
    <identifier type="issn">1359-6454</identifier>
    <identifier type="doi">10.1016/j.actamat.2025.121134</identifier>
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    <author>Yuki Ikeda</author>
    <author>Theophilus Wallis</author>
    <author>Robert Maaß</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermodynamics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase-Field Modelling</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Steels</value>
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    <publishedYear>2024</publishedYear>
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    <title language="eng">Local lattice distortions and chemical short-range order in MoNbTaW</title>
    <abstract language="eng">Extended X-ray absorption fine structure (EXAFS) conducted on an equiatomic MoNbTaW bcc medium-entropy alloy that was annealed at 2273 K reveals unexpectedly small 1st and 2nd shell element-specific lattice distortions. An experimental size-mismatch parameter, δexp, is determined to be ca. 50% lower than the corresponding calculated value. Around W, short-range order (SRO) preferring 4d elements in the 1st and 2nd shells persists. A Nb-W ordering is found, which is reminiscent of ordering emerging at lower temperatures in the B2(Mo,W;Ta,Nb)- and B32(Nb,W)-phases. With high-temperature ordering preferences in fcc also foreshadowing low-temperature phase, these findings suggest a general feature of high-temperature SRO.</abstract>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Andrea Fantin</author>
    <author>Anna Maria Manzoni</author>
    <author>H. Springer</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Robert Maaß</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High Entropy Alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Short-range order</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Lattice distortions</value>
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    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>EXAFS</value>
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    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
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    <id>53058</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
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    <language>eng</language>
    <pageFirst>110717</pageFirst>
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    <volume>199</volume>
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    <title language="eng">Incorporating elasticity into CALPHAD-informed density-based grain boundary phase diagrams reveals segregation transition in Al-Cu and Al-Cu-Mg alloys</title>
    <abstract language="eng">The phase-like behavior of grain boundaries (GBs), recently evidenced in several materials, is opening up new possibilities in the design of alloy microstructures. In this context, GB phase diagrams are contributing to a predictive description of GB segregation and (interfacial) phase changes. The influence of chemo-mechanical solute-GB interactions on the GB phase diagram remains elusive so far. This is particularly important for multi-component alloys where the elastic interactions among solute atoms, of various sizes and bonding energies, can prevail, governing a complex co-segregation phenomenon. Recently, we developed a density-based model for GB thermodynamics that intrinsically accounts for GB elasticity in pure elements. In this work, we incorporate the homogeneous and heterogeneous elastic energies associated with the solutes into the density-based framework. We derive the multi-component homogeneous elastic energy by generalizing the continuum misfitting sphere model and extend it for GBs. The density-based free energy functional directly uses bulk CALPHAD thermodynamic data. The model is applied to binary and ternary Al alloys. We reveal that the elastic energy can profoundly affect the GB solubility and segregation behavior, leading to Cu segregation in otherwise Cu-depleted Al GBs. Consequently, GB segregation transition, i.e., a jump in the GB segregation as a function of alloy composition, is revealed in Al-Cu and Al-Cu-Mg alloy systems with implications for subsequent GB precipitation in these alloys. CALPHAD-informed elasticity-incorporated GB phase diagrams enable addressing a broader range of GB phenomena in engineering multi-component alloys.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
    <identifier type="doi">10.1016/j.commatsci.2021.110717</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">22.09.2021</enrichment>
    <author>Lei Wang</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary thermodynamics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Density-based model</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Al alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary phase diagram</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>CALPHAD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elastic energy</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>
  <doc>
    <id>51268</id>
    <completedYear/>
    <publishedYear>2020</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>26728</pageFirst>
    <pageLast>26741</pageLast>
    <pageNumber/>
    <edition/>
    <issue>45</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName/>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">A model for grain boundary thermodynamics</title>
    <abstract language="eng">Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of microstructure defects is challenging because of their individualistic nature. In this paper, a model is devised for assessing grain boundary thermodynamics based on available bulk thermodynamic data. We propose a continuous relative atomic density field and its spatial gradients to describe the grain boundary region with reference to the homogeneous bulk and derive the grain boundary Gibbs free energy functional. The grain boundary segregation isotherm and phase diagram are computed for a regular binary solid solution, and qualitatively benchmarked for the Pt–Au system. The relationships between the grain boundary's atomic density, excess free volume, and misorientation angle are discussed. Combining the current density-based model with available bulk thermodynamic databases enables constructing databases, phase diagrams, and segregation isotherms for grain boundaries, opening possibilities for studying and designing heterogeneous microstructures.</abstract>
    <parentTitle language="eng">RSC Advances</parentTitle>
    <enrichment key="date_peer_review">21.09.2020</enrichment>
    <enrichment key="opus.doi.autoCreate">false</enrichment>
    <enrichment key="opus.urn.autoCreate">true</enrichment>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase Diagram</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thermodynamics</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary</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>
  </doc>
  <doc>
    <id>59360</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>6</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>233</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Coupling density phase field models with atomistic potentials</title>
    <abstract language="eng">A density-based phase field model is developed where the free energy functional is explicitly linked with molecular dynamics and is referred to as the Molecular Phase Field Method (MoPF). MoPF simulations involve expressing interatomic potentials in terms of density to form a density based free energy functional. Inputs to this functional are taken from atomistics such that the phase field density profile matches the corresponding density profile from atomistic simulations. We analyze our results by comparing the MoPF calculated excess interfacial energies with excess interfacial energies calculated using molecular dynamics associated with several nickel grain boundaries. Additionally, a comparison is made between our results and the interfacial energies of a \Sigma7 boundary across a variety of FCC systems simulated using density functional theory. The MoPF method is able to successfully predict grain boundary free energy trends between grain boundary and material types offering an atomistically informed mesoscale formulation for studying grain boundary physics.</abstract>
    <parentTitle language="eng">Computational Materials Science</parentTitle>
    <identifier type="doi">10.1016/j.commatsci.2023.112763</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">26.02.2024</enrichment>
    <author>David Jacobson</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Gregory Thompson</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Density-based Phase-Field Modelling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Atomistic Simulation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain Boundary</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</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>
  <doc>
    <id>56274</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>12</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>933</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace>Lausanne</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">CALPHAD integrated grain boundary co-segregation design: Towards safe high-entropy alloys</title>
    <abstract language="eng">Along with the desire for developing novel multi-principal element alloys, also known as high-entropy alloys, the concern about their safe application is also increasingly growing. This relates to the alloys’ phase stability, in particular, the control required over unexpected phase decompositions resulting from solute segregation at grain boundaries. Yet, the mechanisms of co-segregation and grain boundary phase decomposition in multi-component alloys are rather challenging to explore. In fact, quantitative investigation of grain boundary behaviors is mostly conducted for binary and a few ternary alloys. In this work, we apply the recently introduced CALPHAD-integrated density-based formalism [RSC Advances 10 (2020) 26728-26741] for considering co-segregation phenomena in alloys with an arbitrary number of components —the term ‘co-segregation’ here refers to co-evolution and any mutual interplay among the solute atoms during their interaction with a grain boundary. Quaternary Fe-Co-Mn-Cr alloy system is studied. We present two major advances beyond previous results: First, a co-segregation-induced multi-component grain boundary spinodal decomposition is quantitatively simulated for the first time. We found that in addition to its low cohesive energy and asymmetrical mixing enthalpy due to magnetic ordering, Mn plays a leading role in triggering interfacial phase decomposition by having a relatively large, concentration-dependent atomic mobility. Second, as an alternative to grain boundary phase diagrams proposed for binary and ternary alloys, we introduce the concept of co-segregation maps for grain boundary segregation screening and design in multi-component alloys. Applying the co-segregation maps, the nonlinear Mn and Cr co-segregation are discussed. Depicted on the alloying composition and phase space, the co-segregation maps enable the required insights to guide a safer, more controlled design of high-entropy alloys.</abstract>
    <parentTitle language="eng">Journal of Alloys and Compounds</parentTitle>
    <identifier type="doi">10.1016/j.jallcom.2022.167717</identifier>
    <identifier type="issn">0925-8388</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">28.11.2022</enrichment>
    <author>Lei Wang</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-Entropy Materials</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Density-based Phase-Field Modelling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>CALPHAD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alloys' Safety</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</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>
  </doc>
  <doc>
    <id>53427</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>6</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>206</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace>Amsterdam</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Elastic energy of multi-component solid solutions and strain origins of phase stability in high-entropy alloys</title>
    <abstract language="eng">The elastic energy of mixing for multi-component solid solutions is derived by generalizing Eshelby's sphere-in-hole model. By surveying the dependence of the elastic energy on the chemical composition and lattice misfit, we derive a lattice strain coefficient λ*. Studying several high-entropy alloys and superalloys, we propose that most solid solution multi-component alloys are stable when λ*&lt;0.16, generalizing the Hume-Rothery atomic-size rule for binary alloys. We also reveal that the polydispersity index δ, frequently used for describing strain in multi-component alloys, directly represents the elastic energy e with e=qδ², q being an elastic constant. Furthermore, the effects of (i) the number and (ii) the atomic-size distribution of constituting elements on the phase stability of high-entropy alloys were quantified. The present derivations and discussions open for richer considerations of elastic effects in high-entropy alloys, offering immediate support for quantitative assessments of their thermodynamic properties and studying related strengthening mechanisms.</abstract>
    <parentTitle language="eng">Scripta materialia</parentTitle>
    <identifier type="doi">10.1016/j.scriptamat.2021.114226</identifier>
    <identifier type="issn">1359-6462</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">25.10.2021</enrichment>
    <author>Reza Darvishi Kamachali</author>
    <author>L. Wang</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ordering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>High-entropy alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alloy design</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Strain energy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase stability</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>
  <doc>
    <id>56160</id>
    <completedYear/>
    <publishedYear>2022</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>242</volume>
    <type>article</type>
    <publisherName>Elsevier Ltd.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Grain boundary structural variations amplify segregation transition and stabilize co-existing spinodal interfacial phases</title>
    <abstract language="eng">Grain boundaries (GBs)’s role in determining the functional and mechanical properties of polycrystalline materials is inscribed in both their structure and chemistry. Upon solute segregation, the structure and composition of a GB can change concurrently. We study the co-evolution of GB’s structure and segregation by enhancing the density-based phase-field model to account for the in-plane structural variations in the GB. Significant mutual coupling is revealed between the GB’s chemical and structural states during Mn segregation in Fe-Mn alloys. We found that the structural degrees of freedom in a GB (the ability of the GB structure to respond to the chemical variation) amplifies Mn segregation transition, even when the GB structure stays unchanged. When the GB structure is not uniform, that is the usual case, the coupling between GB structure and segregation evolution also enables the spinodally formed low- and high-Mn phases (upon segregation transition) to co-exist within the GB region. These findings explain the stabilizing mechanism of pronounced interfacial segregation fluctuations, experimentally evidenced in Fe-Mn GBs, and give new insights on the structural sensitivity of GBs’ segregation phenomena and the mutual chemo-structural interplay.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
    <identifier type="doi">10.1016/j.actamat.2022.118446</identifier>
    <identifier type="issn">1359-6454</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">30.01.2023</enrichment>
    <enrichment key="PaperofMonth">1</enrichment>
    <author>Theophilus Wallis</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary engineering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Segregation engineering</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary structure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Fe-Mn steels</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</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 im Netzwerk der BAM verfügbar ("Closed Access")</collection>
    <collection role="themenfelder" number="">Materialdesign</collection>
  </doc>
  <doc>
    <id>65487</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>14</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>305</volume>
    <type>article</type>
    <publisherName>Elsevier Inc.</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Linking atomistic and phase-field modeling of grain boundaries I: Coarse-graining atomistic structures</title>
    <abstract language="eng">The longstanding gap between atomistic and mesoscale simulations partly lies in the absence of a direct, physically grounded connection between atomic structure and mesoscale fields. In this work, we present a robust coarse-graining approach to systematically investigate the connection between phase-field and atomistic simulations of grain boundaries (GBs). The atomistic structures of 408 GBs in BCC-Fe and -Mo were studies to compute and analyze a continuous atomic density field. We discover a fundamental relationship between the GB density---defined as the average atomic density at the GB plane---and the GB excess free volume, an integral property of the boundary. An almost perfect linear correlation between the GB atomic density and GB excess free volume is identified. We also show that the width of BCC GBs, when scaled by the lattice constant, approaches a universal constant value. The relationships among GB density, width, and energy are systematically examined for various GB planes, and the GB energy--density correlations are classified with respect to GB types. It turns out that the atomic planes forming the GB strongly influence both the GB density and excess volume. The current results establish a dependable framework to bridge across scales, enabling density-based phase-field modeling of GBs with atomistic fidelity and enhancing the predictive reliability of mesoscale simulations.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
    <identifier type="issn">1359-6454</identifier>
    <identifier type="doi">10.1016/j.actamat.2025.121786</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-654872</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">11.02.2026</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Theophilus Wallis</author>
    <author>Sutatch Ratanaphan</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Density-based model</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary structure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary thermodynamic</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Atomistic simulations</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</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/65487/LinkingAtomisticAndPhaseFieldModelingPartI_.pdf</file>
  </doc>
  <doc>
    <id>65490</id>
    <completedYear/>
    <publishedYear>2026</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>17</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>305</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Linking atomistic and phase-field modeling of grain boundaries II: Incorporating atomistic potentials into free energy functional</title>
    <abstract language="eng">The density-based phase-field model for grain boundary (GB) thermodynamics and kinetics has offered a broad range of applications in alloy and microstructure design. Originally, this model is based on a potential energy terms that is connected to the cohesive energy of a given substance. A more rigorous approach, however, is a full consideration of an interatomic potential over the possible range of distance and therefore density. In Manuscript I of this series, we developed and thoroughly analyzed the coarse-graining of atomistic GB structures. In this work (Manuscript II), we complete the coupling between atomic and mesoscale modeling of GBs by incorporating the full interatomic potentials into the density-based free energy functional. Using GB energies calculated from atomistic simulations, the coarse-graining approach and the atomistic-integrated density-based Gibbs free energy, we effectively evaluate the density gradient energy coefficient. We found that coupling the density-based model with atomistic potentials reveal physically-sound trends in the GB equilibrium properties. A universal equation was derived to describe the potential energy contribution to the GB energy and the gradient energy coefficient for BCC-Fe and -Mo GBs, similar to the universal equation for GB excess free volume presented in Manuscript I. The proposed approach provides a mesoscale density-based model rooted in atomic-scale characteristics for reliable predictions of GB properties.</abstract>
    <parentTitle language="eng">Acta Materialia</parentTitle>
    <identifier type="issn">1359-6454</identifier>
    <identifier type="doi">10.1016/j.actamat.2025.121787</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-654904</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">11.02.2026</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>Theophilus Wallis</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Density-based model</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase-field</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary structure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Grain boundary thermodynamics</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</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/65490/LinkingAtomisticAndPhaseFieldModeling_PartII.pdf</file>
  </doc>
  <doc>
    <id>58429</id>
    <completedYear/>
    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
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    <title language="eng">Giant segregation transition as origin of liquid metal embrittlement in the Fe-Zn system</title>
    <abstract language="eng">A giant Zn segregation transition is revealed using CALPHAD-integrated density-based modeling of segregation into Fe grain boundaries (GBs). The results show that above a threshold of only a few atomic percent Zn in the alloy, a substantial amount of up to 60 at.% Zn can segregate to the GB. We found that the amount of segregation abruptly increases with decreasing temperature, while the Zn content in the alloy required for triggering the segregation transition decreases. Direct evidence of the Zn segregation transition is obtained using high-resolution scanning transmission electron microscopy. Base on the model, we trace the origin of the segregation transition back to the low cohesive energy of Zn and a miscibility gap in Fe-Zn GB, arising from the magnetic ordering effect, which is confirmed by ab-initio calculations. We also show that the massive Zn segregation resulting from the segregation transition greatly assists with liquid wetting and reduces the work of separation along the GB. The current predictions suggest that control over Zn segregation, by both alloy design and optimizing the galvanization and welding processes, may offer preventive strategies against liquid metal embrittlement.</abstract>
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    <author>Reza Darvishi Kamachali</author>
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    <author>A. Ahmadian</author>
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    <author>Tilmann Hickel</author>
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    <title language="eng">On the preference of liquid-metal embrittlement along high-angle grain-boundaries in galvanized steels</title>
    <abstract language="eng">Focusing on the early stages of liquid-metal embrittlement (LME) of Zinc (Zn) coated advanced high-strength steels, we show that the Zn infiltration path prior to grain-boundary decohesion and therefore cracking distinctly follows high-angle grain boundaries (HAGBs). This selective transport prior to LME-induced microcracking rationalizes the experimentally observed post-mortem cracking along martensitic HAGBs. We discuss the selective Zn transport and GB-weakening in terms of an misorientation-angle dependent atomic density and diffusivity, and its effect on GB-segregation.</abstract>
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    <author>Yuki Ikeda</author>
    <author>Seungchang Han</author>
    <author>Theophilus Wallis</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Robert Maaß</author>
    <subject>
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      <value>Grain boundaries</value>
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    <title language="eng">Segregation-induced hydrogen embrittlement in titanium</title>
    <abstract language="eng">Although titanium offers an optimal combination of strength, low weight, and toughness for various applications, it suffers from a drawback: loss of ductility upon exposure to hydrogen. In this work, we couple CALPHAD-integrated density-based thermodynamic modelling of hydrogen segregation with an experimentally calibrated fracture model to investigate its on crack propagation in titanium. Here we propose to model the crack propagation path as a quasi-interface with slightly opened structure and reduced atomic density, enabling interstitial hydrogen segregation. The atomic density is then directly linked with the damage parameter. We found that hydrogen segregation in titanium undergoes a significant transition such that above a threshold of only few atomic percent hydrogen in the solid solution, the interfacial hydrogen concentration exceeds 20 at.%. Integrating this information into our fracture model, the material damage evolution could be explained by a segregation-affected Griffith crack energy, resulting in material decohesion. We found that the segregation transition and subsequent embrittlement effects are critically sensitive to the temperature in the system. The present results suggest a mechanism underlying the sudden loss of fracture toughness during crack propagation, in relation to the ductile-to-brittle transition observed in titanium alloys exposed to hydrogen. The proposed CALPHAD-integrated chemo-mechanical framework can be further generalised for studying more complex failure mechanisms in various materials.</abstract>
    <parentTitle language="eng">Materialia</parentTitle>
    <identifier type="issn">2589-1529</identifier>
    <identifier type="doi">10.1016/j.mtla.2025.102411</identifier>
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    <enrichment key="date_peer_review">23.02.2026</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Rainer Falkenberg</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Segregation transition</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hydrogen embrittlement</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Titanium alloys</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Crack propagation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ductile-to-brittle transition</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
    <collection role="institutes" number="">5.5 Materialmodellierung</collection>
    <collection role="themenfelder" number="">Material</collection>
    <collection role="themenfelder" number="">Degradationsmechanismen</collection>
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    <publishedYear>2024</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>14</pageLast>
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    <issue/>
    <volume>284</volume>
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    <title language="eng">Shear Band Formation with Split Hopkinson Bar Experiments</title>
    <abstract language="eng">The essence of dynamic failure is closely linked to dramatic shear deformations which often lead to the formation of adiabatic shear bands (ASB). Under high loading velocities and the subsequent rapid temperature increase, the localization of shear strain is crucial in view of safety issues of systems in mechanical and aircraft engineering, especially with respect to fast rotating components and diverse crash scenarios. In this research, we perform high speed impact tests at the split Hopkinson pressure bar (SHPB) setup and use particular hat-shaped specimen geometries that resemble the stresses and failure conditions at the component level.&#13;
In the first step, we specify a notched specimen geometry using finite element (FE) simulations to ensure pure shear. Further, quasi-static compressive tests and a series of impact tests at high strain rates of 10^3-10^4 s^-1 are conducted on specimens manufactured from a fine-grain structural steel with the properties of S355. Optical microscopy and electron backscatter diffraction (EBSD) of the sheared zones unveil significant localization to maximal shear strains of about 0.9 accompanied by grain refinement by factors 5 to 14. The displacements across the surface of the specimens are captured with subset-based local digital image correlation (DIC) during the impact time, and serve as an objective to validate a viscoplastic constitutive relationship. More precisely, the deformation distribution is accurately reproduced by the widely recognized Johnson-Cook (JC) model, which features an enhanced description of damage evolution. Thus, combining experimental and characterization techniques, continuum mechanics and reasonable optimization strategies for the identification of model parameters provides an efficient approach for comprehensive insights into the strain localization behaviour and its impact on the mechanical performance of S355 under extreme strain rates and deformations.</abstract>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Stefan Jentzsch</author>
    <author>Daniel Stock</author>
    <author>Ralf Häcker</author>
    <author>Birgit Skrotzki</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Dietmar Klingbeil</author>
    <author>Vitaliy Kindrachuk</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Adiabatic shear bands</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Finite element analysis</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Viscoplastic material modelling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Split Hopkinson pressure bar</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Hat-shaped specimen</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Johnson–Cook parameter identification</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
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    <file>https://opus4.kobv.de/opus4-bam/files/61333/JentzschEtAl_2024_ShearBandFormationWithSHPBExperiments.pdf</file>
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    <title language="eng">The impact of scanning strategy on cell structures in PBF-LB/M/IN718: an in situ synchrotron x-ray diffraction study</title>
    <abstract language="eng">In additive manufacturing, any change of the process parameters, such as scanning strategy, directly affects the cooling rates, heat accumulation, and overall thermal history of the build. Consequently, parts built with different process parameters tend to have different levels of crystallographic texture, residual stress, and dislocation density. These features can influence the properties of the material and their development during post-processing operations. In this study, IN718 prisms were built by laser powder bed fusion (PBF-LB/M) using two different scanning strategies (continuous 67° rotations around the build direction, ROT, and alternating 0°/67° scans, ALT) to provide two different as-built conditions. In situ time-resolved synchrotron diffraction was performed during a solution heat treatment at 1027 °C for 1 h. Ex situ scanning electron microscopy was used to support and complement the in situ observations. An approach to quantify the effect of elemental microsegregation at the cell walls is developed based on the deconvolution of asymmetric γ-nickel matrix peaks. Following this approach, the scanning strategies are shown to affect the as-built fraction of cell walls in the material, resulting in a difference of approximately 5 %, in weight fraction, between ROT and ALT (19 % vs. 24 %, respectively). This microsegregation was observed to be rapidly homogenized during the heating ramp, and no significant changes to the peak shape in the γ peaks occurred during the isothermal part of the heat treatment, regardless of the scanning strategy.</abstract>
    <parentTitle language="eng">Journal of Materials Research and Technology</parentTitle>
    <identifier type="issn">2238-7854</identifier>
    <identifier type="doi">10.1016/j.jmrt.2025.11.214</identifier>
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    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Bruno Ferrari</author>
    <author>Andrea Fantin</author>
    <author>D. Said</author>
    <author>A. N. Fitch</author>
    <author>Patricia Suárez Ocano</author>
    <author>Tatiana Mishurova</author>
    <author>Ilaria Roveda</author>
    <author>Arne Kromm</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Giovanni Bruno</author>
    <author>Alexander Evans</author>
    <author>G. Requena</author>
    <author>Leonardo Agudo Jácome</author>
    <author>Itziar Serrano Munoz</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Additive manufacturing</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Inconel 718</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Synchrotron x-ray diffraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Heat treatment</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Laser powder bed fusion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Cellular microstructure</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
    <collection role="institutes" number="">5.1 Mikrostruktur Design und Degradation</collection>
    <collection role="institutes" number="">5.2 Metallische Hochtemperaturwerkstoffe</collection>
    <collection role="institutes" number="">5.5 Materialmodellierung</collection>
    <collection role="institutes" number="">8 Zerstörungsfreie Prüfung</collection>
    <collection role="institutes" number="">8.5 Röntgenbildgebung</collection>
    <collection role="institutes" number="">9 Komponentensicherheit</collection>
    <collection role="institutes" number="">9.4 Integrität von Schweißverbindungen</collection>
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    <collection role="institutes" number="">5.0 Abteilungsleitung und andere</collection>
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    <file>https://opus4.kobv.de/opus4-bam/files/65095/Ferrari_impact_of_scanning_stratgy_on_cell_structures.pdf</file>
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    <completedYear/>
    <publishedYear>2017</publishedYear>
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    <language>eng</language>
    <pageFirst>Article 117, 1</pageFirst>
    <pageLast>21</pageLast>
    <pageNumber/>
    <edition/>
    <issue>2</issue>
    <volume>10</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace>Basel, Schweiz</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
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    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Precipitation of T1 and theta′ Phase in Al‐4Cu‐1Li‐0.25Mn During Age Hardening: Microstructural Investigation and Phase‐Field Simulation</title>
    <abstract language="eng">Experimental and phase field studies of age hardening response of a high purity Al‐4Cu‐1Li‐0.25Mn‐alloy (mass %) during isothermal aging are conducted. In the experiments, two hardening phases are identified: the tetragonal θ′ (Al₂Cu) phase and the hexagonal T1 (Al₂CuLi) phase. Both are plate shaped and of nm size. They are analyzed with respect to the development of their size, number density and volume fraction during aging by applying different analysis techniques in TEM in combination with quantitative microstructural analysis. 3D phase‐field simulations of formation and growth of θ′ phase are performed in which the full interfacial, chemical and elastic energy contributions are taken into account. 2D simulations of T1 phase are also investigated using multi‐component diffusion without elasticity. This is a first step toward a complex phase‐field study of T1 phase in the ternary alloy. The comparison between experimental and simulated data shows similar trends. The still unsaturated volume fraction indicates that the precipitates are in the growth stage and that the coarsening/ripening stage has not yet been reached.</abstract>
    <parentTitle language="eng">Materials</parentTitle>
    <identifier type="doi">10.3390/ma10020117</identifier>
    <identifier type="issn">1996-1944</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-390473</identifier>
    <enrichment key="date_peer_review">07.04.2017</enrichment>
    <licence>Creative Commons - Namensnennung 3.0</licence>
    <author>Ines Häusler</author>
    <author>C. Schwarze</author>
    <author>M. Umer Bilal</author>
    <author>D. Valencia Ramirez</author>
    <author>W. Hetaba</author>
    <author>Reza Darvishi Kamachali</author>
    <author>Birgit Skrotzki</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Al‐Cu‐Li‐alloy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Precipitates</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Age hardening</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Volume fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Number density</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstructure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase‐field modeling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elasticity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Multi‐component diffusion</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Growth kinetics</value>
    </subject>
    <collection role="ddc" number="62">Ingenieurwissenschaften</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/39047/materials-10-00117.pdf</file>
  </doc>
  <doc>
    <id>52274</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1373</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>6</issue>
    <volume>14</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Quantitative Shape-Classification of Misfitting Precipitates during Cubic to Tetragonal Transformations: Phase-Field Simulations and Experiments</title>
    <abstract language="eng">The effectiveness of the mechanism of precipitation strengthening in metallic alloys depends on the shapes of the precipitates. Two different material systems are considered: tetragonal γ′′ precipitates in Ni-based alloys and tetragonal θ′ precipitates in Al-Cu-alloys. The shape formation and evolution of the tetragonally misfitting precipitates was investigated by means of experiments and phase-field simulations. We employed the method of invariant moments for the consistent shape quantification of precipitates obtained from the simulation as well as those obtained from the experiment. Two well-defined shape-quantities are proposed: (i) a generalized measure for the particles aspect ratio and (ii) the normalized λ2, as a measure for shape deviations from an ideal ellipse of the given aspect ratio. Considering the size dependence of the aspect ratio of γ′′ precipitates, we find good agreement between the simulation results and the experiment. Further, the precipitates’ in-plane shape is defined as the central 2D cut through the 3D particle in a plane normal to the tetragonal c-axes of the precipitate. The experimentally observed in-plane shapes of γ′′-precipitates can be quantitatively reproduced by the phase-field model.</abstract>
    <parentTitle language="eng">Materials</parentTitle>
    <identifier type="doi">10.3390/ma14061373</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-522743</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">12.04.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Y.-Y. Lin</author>
    <author>F. Schleifer</author>
    <author>M. Holzinger</author>
    <author>N. Ta</author>
    <author>Birgit Skrotzki</author>
    <author>Reza Darvishi Kamachali</author>
    <author>U. Glatzel</author>
    <author>M. Fleck</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>γ″ phase</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase-field simulation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Misfitting precipitate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Nickel-base alloy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Al-Cu alloy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>θ′ phase</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Precipitate shape</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/52274/materials-14-01373.pdf</file>
  </doc>
  <doc>
    <id>52267</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1280</pageFirst>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>5</issue>
    <volume>14</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Simulation of the θ′ Precipitation Process with Interfacial Anisotropy Effects in Al-Cu Alloys</title>
    <abstract language="eng">The effects of anisotropic interfacial properties and heterogeneous elasticity on the growth and ripening of plate-like θ′-phase (Al2Cu) in Al-1.69 at.% Cu alloy are studied. Multi-phase-field simulations are conducted and discussed in comparison with aging experiments. The precipitate/matrix interface is considered to be anisotropic in terms of its energy and mobility. We find that the additional incorporation of an anisotropic interfacial mobility in conjunction with the elastic anisotropy result in substantially larger aspect ratios of the precipitates closer to the experimental observations. The anisotropy of the interfacial energy shows comparably small effect on the precipitate’s aspect ratio but changes the interface’s shape at the rim. The effect of the chemo-mechanical coupling, i.e., the composition dependence of the elastic constants, is studied as well. We show that the inverse ripening phenomenon, recently evidenced for δ’ precipitates in Al-Li alloys (Park et al. Sci. Rep. 2019, 9, 3981), does not establish for the θ′ precipitates. This is because of the anisotropic stress fields built around the θ′ precipitates, stemming from the precipitate’s shape and the interaction among different variants of the θ′ precipitate, that disturb the chemo-mechanical effects. These results show that the chemo-mechanical effects on the precipitation ripening strongly depend on the degree of sphericity and elastic isotropy of the precipitate and matrix phases.</abstract>
    <parentTitle language="eng">Materials</parentTitle>
    <identifier type="doi">10.3390/ma14051280</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-522672</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">08.04.2021</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>N. Ta</author>
    <author>M. U. Bilal</author>
    <author>I. Häusler</author>
    <author>A. Saxena</author>
    <author>Y.-Y. Lin</author>
    <author>F. Schleifer</author>
    <author>M. Fleck</author>
    <author>U. Glatzel</author>
    <author>Birgit Skrotzki</author>
    <author>Reza Darvishi Kamachali</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Aging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Phase-field simulation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Interfacial anisotropy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Chemo-mechanical coupling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Precipitation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Elasticity</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>θ′-(Al2Cu) precipitate phase</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/52267/materials-14-01280-v2.pdf</file>
  </doc>
  <doc>
    <id>47120</id>
    <completedYear/>
    <publishedYear>2018</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>30, 1</pageFirst>
    <pageLast>23</pageLast>
    <pageNumber/>
    <edition/>
    <issue>1</issue>
    <volume>12</volume>
    <type>article</type>
    <publisherName>MDPI</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Thickening of T-1 Precipitates during Aging of a High Purity Al–4Cu–1Li–0.25Mn Alloy</title>
    <abstract language="eng">The age hardening response of a high-purity Al–4Cu–1Li–0.25Mn alloy (wt. %) during isothermal aging without and with an applied external load was investigated. Plate shaped nanometer size T1 (Al2CuLi) and θ′ (Al2Cu) hardening phases were formed. The precipitates were analyzed with respect to the development of their structure, size, number density, volume fraction and associated transformation strains by conducting transmission electron microscopy (TEM) and scanning transmission electron microscopy (STEM) studies in combination with geometrical Phase analysis (GPA). Special attention was paid to the thickening of T1 phase. Two elementary types of single-layer T1 precipitate, one with a Li-rich (Type 1) and another with an Al-rich (Defect Type 1) central layer, were identified. The results show that the Defect Type 1 structure can act as a precursor for the Type 1 structure. The thickening of T1 precipitates occurs by alternative stacking of These two elementary structures. The thickening mechanism was analyzed based on the magnitude of strain associated with the precipitation transformation normal to its habit plane. Long-term aging and aging under load resulted in thicker and structurally defected T1 precipitates. Several types of defected precipitates were characterized and discussed. For θ′ precipitates, a ledge mechanism of&#13;
thickening was observed. Compared to the normal aging, an external load applied to the peak aged state leads to small variations in the average sizes and volume fractions of the precipitates.</abstract>
    <parentTitle language="eng">Materials</parentTitle>
    <identifier type="doi">10.3390/ma12010030</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-471207</identifier>
    <identifier type="issn">1996-1944</identifier>
    <enrichment key="date_peer_review">02.01.2019</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Ines Häusler</author>
    <author>Reza Darvishi Kamachali</author>
    <author>W. Hetaba</author>
    <author>Birgit Skrotzki</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Al-Cu-Li-alloy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Precipitation</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>T1 precipitate</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstructure evolution</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Thickening</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Creep</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Volume fraction</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Number density</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Strain difference</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</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/47120/materials-12-00030.pdf</file>
  </doc>
  <doc>
    <id>51989</id>
    <completedYear/>
    <publishedYear>2021</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>8704</pageFirst>
    <pageLast>8716</pageLast>
    <pageNumber/>
    <edition/>
    <issue>14</issue>
    <volume>56</volume>
    <type>article</type>
    <publisherName>Springer Nature</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">On the long-term aging of S-phase in aluminum alloy 2618A</title>
    <abstract language="eng">The aluminum alloy 2618A is applied for engine components such as radial compressor wheels which operate for long time at elevated temperatures. This results in coarsening of the hardening precipitates and degradation in mechanical properties during the long-term operation, which is not taken into account in the current lifetime prediction models due to the lack of quantitative microstructural and mechanical data. To address this issue, a quantitative investigation on the evolution of precipitates during long-term aging at 190 °C for up to 25,000 h was conducted. Detailed transmission electron microscopy (TEM) was combined with Brinell hardness measurements and thorough differential scanning calorimetry (DSC) experiments. The results showthat GPB zones and S-phase Al2CuMg grow up to &lt; 1,000 h during which the GPB zones dissolve and S-phase precipitates form. For longer aging times, only S-phase precipitates coarsen, which can be well described using the Lifshitz–Slyozov Wagner theory of ripening. A thorough understanding of the underlying microstructural processes is a prerequisite to enable the integration of aging behavior into the established lifetime models for components manufactured from alloy 2618A.</abstract>
    <parentTitle language="eng">Journal of Materials Science</parentTitle>
    <identifier type="doi">10.1007/s10853-020-05740-x</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-519899</identifier>
    <identifier type="issn">0022-2461</identifier>
    <enrichment key="date_peer_review">04.02.2021</enrichment>
    <enrichment key="RelatedIdentifier">https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/55158</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Christian Rockenhäuser</author>
    <author>C. Rowolt</author>
    <author>B. Milkereit</author>
    <author>Reza Darvishi Kamachali</author>
    <author>O. Kessler</author>
    <author>Birgit Skrotzki</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Long-term aging</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Transmission electron microscopy (TEM)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Differential scanning calorimetry (DSC)</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstructure</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>S-phase</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Ostwald ripening</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/51989/Rockenhaeuser2021_Article_OnTheLong-termAgingOfS-phaseIn.pdf</file>
  </doc>
  <doc>
    <id>57357</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst/>
    <pageLast/>
    <pageNumber/>
    <edition/>
    <issue>e2211796</issue>
    <volume/>
    <type>article</type>
    <publisherName>Wiley online library</publisherName>
    <publisherPlace/>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Interstitial segregation has the potential to mitigate liquid metal embrittlement in iron</title>
    <abstract language="eng">The embrittlement of metallic alloys by liquid metals leads to catastrophic material failure and severely impacts their structural integrity. The weakening of grain boundaries by the ingress of liquid metal and preceding segregation in the solid are thought to promote early fracture. However, the potential of balancing between the segregation of cohesion-enhancing interstitial solutes and embrittling elements inducing grain boundary decohesion is not understood. Here, we unveil the mechanisms of how boron segregation mitigates the detrimental effects of the prime embrittler, zinc, in a Σ5 [0 0 1] tilt grain boundary in α −Fe (4 at.% Al). Zinc forms nanoscale segregation patterns inducing structurally and compositionally complex grain boundary states. Ab-initio simulations reveal that boron hinders zinc segregation and compensates for the zinc induced loss in grain boundary cohesion. Our work sheds new light on how interstitial solutes intimately modify grain boundaries, thereby opening pathways to use them as dopants for preventing disastrous material failure.</abstract>
    <parentTitle language="eng">Advanced Materials</parentTitle>
    <identifier type="issn">0935-9648</identifier>
    <identifier type="doi">10.1002/adma.202211796</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-573576</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="date_peer_review">24.04.2023</enrichment>
    <author>A. Ahmadian</author>
    <author>D. Scheiber</author>
    <author>X. Zhou</author>
    <author>B. Gault</author>
    <author>Reza Darvishi Kamachali</author>
    <author>L. Romaner</author>
    <author>W. Ecker</author>
    <author>G. Dehm</author>
    <author>C. H. Liebscher</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Materials Modelling</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Liquid Metal Embrittlement</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Alloy Safety</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>CALPHAD</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstructure Design</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
    <collection role="institutes" number="">5.5 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/57357/Interstitial Segregation has the Potential to Mitigate Liquid Metal Embrittlement in.pdf</file>
  </doc>
  <doc>
    <id>56800</id>
    <completedYear/>
    <publishedYear>2023</publishedYear>
    <thesisYearAccepted/>
    <language>eng</language>
    <pageFirst>1</pageFirst>
    <pageLast>19</pageLast>
    <pageNumber/>
    <edition/>
    <issue/>
    <volume>46</volume>
    <type>article</type>
    <publisherName>Elsevier</publisherName>
    <publisherPlace>Amsterdam</publisherPlace>
    <creatingCorporation/>
    <contributingCorporation/>
    <belongsToBibliography>1</belongsToBibliography>
    <completedDate>--</completedDate>
    <publishedDate>--</publishedDate>
    <thesisDateAccepted>--</thesisDateAccepted>
    <title language="eng">Data regarding the experimental findings compared with CALPHAD calculations of the AlMo0.5NbTa0.5TiZr refractory high entropy superalloy</title>
    <abstract language="eng">This contribution contains the raw data used to compare experimental results with thermodynamic calculations using the CALPHAD method, which is related to the research article “The AlMo0.5NbTa0.5TiZr refractory high entropy superalloy: experimental findings and comparison with calculations using the CALPHAD method” [1] , and therefore this article can be used as a basis for interpreting the data contained therein. The AlMo0.5NbTa0.5TiZr refractory superalloy was characterized in the cast and annealed condition (1400 °C for 24 h) in order to measure grain size and to identify and measure the size and area fraction of the phases present. The raw data of this article include X-ray diffraction (XRD) measurements, microstructural characterization by scanning and transmission electron microscopy (SEM and TEM), and elemental analysis by energy dispersive X-ray spectroscopy (EDX). XRD includes the determination of phases and the lattice parameters (A2, B2, and hexagonal structure). Microstructural analysis by scanning and transmission electron microscopy includes (1) identification of composition, size, and volume fraction of the present phases and (2) determination of grain size. Based on these experimental data, it is possible to identify similarities and discrepancies with the data calculated using the CALPHAD method for the alloy under study in Ref. [1] , which provides the basis for better and more efficient development of reliable databases.</abstract>
    <parentTitle language="eng">Data in brief</parentTitle>
    <identifier type="doi">10.1016/j.dib.2022.108858</identifier>
    <identifier type="urn">urn:nbn:de:kobv:b43-568009</identifier>
    <identifier type="issn">2352-3409</identifier>
    <enrichment key="opus.source">publish</enrichment>
    <enrichment key="RelatedIdentifier">https://nbn-resolving.org/urn:nbn:de:kobv:b43-545906</enrichment>
    <enrichment key="date_peer_review">18.01.2023</enrichment>
    <enrichment key="RelatedIdentifier">https://opus4.kobv.de/opus4-bam/frontdoor/index/index/docId/56861</enrichment>
    <licence>Creative Commons - CC BY - Namensnennung 4.0 International</licence>
    <author>Patricia Suárez Ocano</author>
    <author>Leonardo Agudo Jácome</author>
    <author>I. Lopez-Galilea</author>
    <author>Reza Darvishi Kamachali</author>
    <author>S. G. Fries</author>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Transmission electron microscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Scanning electron microscopy</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Microstructural characterization</value>
    </subject>
    <subject>
      <language>eng</language>
      <type>uncontrolled</type>
      <value>Refractory high entropy alloys</value>
    </subject>
    <collection role="ddc" number="620">Ingenieurwissenschaften und zugeordnete Tätigkeiten</collection>
    <collection role="institutes" number="">5 Werkstofftechnik</collection>
    <collection role="institutes" number="">5.1 Mikrostruktur Design und Degradation</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/56800/Data regarding the experimental findings....pdf</file>
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