The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys
The unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent...
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| Format: | Article |
| Language: | English |
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Elsevier
2024-02-01
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| Series: | Materials & Design |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S0264127524000960 |
| _version_ | 1797301576283455488 |
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| author | Angelo F. Andreoli Andrea Fantin Sergey Kasatikov Vinícius P. Bacurau Michael Widom Piter Gargarella Eric M. Mazzer Thomas G. Woodcock Kornelius Nielsch Francisco G. Coury |
| author_facet | Angelo F. Andreoli Andrea Fantin Sergey Kasatikov Vinícius P. Bacurau Michael Widom Piter Gargarella Eric M. Mazzer Thomas G. Woodcock Kornelius Nielsch Francisco G. Coury |
| author_sort | Angelo F. Andreoli |
| collection | DOAJ |
| description | The unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent magnetic moment measurements. CoCrFeNi alloy is chosen for detailed characterization; potential reasons for the K-state effect such as texture, recrystallization, and second-phase precipitation are ruled out. An examination of the electronic structure indicates the formation of a pseudo-gap in the Density of States, which suggests a specific chemical interaction between Ni and Cr atoms upon alloying. Hybrid Monte Carlo/Molecular Dynamic (MC/MD) simulations indicate the presence of non-negligible chemical short-range order (CSRO). Local lattice distortions are shown to be negligible, although deviations around Cr and Ni elements from those expected in a fully disordered structure are experimentally observed by X-ray absorption spectroscopy. The determined bonding distances are in good agreement with MC/MD calculations. A mechanism is proposed to explain the anomalies and calorimetric experiments and their results are used to validate the mechanism. |
| first_indexed | 2024-03-07T23:24:35Z |
| format | Article |
| id | doaj.art-2df2adfdd3124cfa8dda552b5b4f4e65 |
| institution | Directory Open Access Journal |
| issn | 0264-1275 |
| language | English |
| last_indexed | 2024-03-07T23:24:35Z |
| publishDate | 2024-02-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Materials & Design |
| spelling | doaj.art-2df2adfdd3124cfa8dda552b5b4f4e652024-02-21T05:24:19ZengElsevierMaterials & Design0264-12752024-02-01238112724The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloysAngelo F. Andreoli0Andrea Fantin1Sergey Kasatikov2Vinícius P. Bacurau3Michael Widom4Piter Gargarella5Eric M. Mazzer6Thomas G. Woodcock7Kornelius Nielsch8Francisco G. Coury9Federal University of São Carlos, Department of Materials Engineering, Rodovia Washington Luís, km 235 SP-310, 13565-905 São Carlos, SP, Brazil; Corresponding author.Bundesanstalt für Materialforschung und -prüfung, Unter den Eichen 87, 12205 Berlin, Germany; Helmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner Platz 1, 14109 Berlin, GermanyHelmholtz-Zentrum Berlin für Materialien und Energie GmbH, Hahn-Meitner Platz 1, 14109 Berlin, GermanyFederal University of São Carlos, Department of Materials Engineering, Rodovia Washington Luís, km 235 SP-310, 13565-905 São Carlos, SP, BrazilDepartment of Physics, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh 15213, USAFederal University of São Carlos, Department of Materials Engineering, Rodovia Washington Luís, km 235 SP-310, 13565-905 São Carlos, SP, BrazilFederal University of São Carlos, Department of Materials Engineering, Rodovia Washington Luís, km 235 SP-310, 13565-905 São Carlos, SP, BrazilIFW Dresden, Institute for Metallic Materials, Helmholtzstraße 20, 01069 Dresden, GermanyIFW Dresden, Institute for Metallic Materials, Helmholtzstraße 20, 01069 Dresden, Germany; Institute of Materials Science, Technische Universität Dresden, 01062 Dresden, GermanyFederal University of São Carlos, Department of Materials Engineering, Rodovia Washington Luís, km 235 SP-310, 13565-905 São Carlos, SP, BrazilThe unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent magnetic moment measurements. CoCrFeNi alloy is chosen for detailed characterization; potential reasons for the K-state effect such as texture, recrystallization, and second-phase precipitation are ruled out. An examination of the electronic structure indicates the formation of a pseudo-gap in the Density of States, which suggests a specific chemical interaction between Ni and Cr atoms upon alloying. Hybrid Monte Carlo/Molecular Dynamic (MC/MD) simulations indicate the presence of non-negligible chemical short-range order (CSRO). Local lattice distortions are shown to be negligible, although deviations around Cr and Ni elements from those expected in a fully disordered structure are experimentally observed by X-ray absorption spectroscopy. The determined bonding distances are in good agreement with MC/MD calculations. A mechanism is proposed to explain the anomalies and calorimetric experiments and their results are used to validate the mechanism.http://www.sciencedirect.com/science/article/pii/S0264127524000960High-entropy alloysChemical short-range orderDilatometryDifferential scanning calorimetryOrder-disorder effects |
| spellingShingle | Angelo F. Andreoli Andrea Fantin Sergey Kasatikov Vinícius P. Bacurau Michael Widom Piter Gargarella Eric M. Mazzer Thomas G. Woodcock Kornelius Nielsch Francisco G. Coury The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys Materials & Design High-entropy alloys Chemical short-range order Dilatometry Differential scanning calorimetry Order-disorder effects |
| title | The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys |
| title_full | The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys |
| title_fullStr | The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys |
| title_full_unstemmed | The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys |
| title_short | The impact of chemical short-range order on the thermophysical properties of medium- and high-entropy alloys |
| title_sort | impact of chemical short range order on the thermophysical properties of medium and high entropy alloys |
| topic | High-entropy alloys Chemical short-range order Dilatometry Differential scanning calorimetry Order-disorder effects |
| url | http://www.sciencedirect.com/science/article/pii/S0264127524000960 |
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