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CrFeVW X (X = Ta or Ti) High-Entropy Alloy: A Theoretical and Experimental Comparative Investigation on Phase Stability.

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Title: CrFeVW X (X = Ta or Ti) High-Entropy Alloy: A Theoretical and Experimental Comparative Investigation on Phase Stability.
Authors: Martins, Ricardo1 (AUTHOR) ricardo.martins@ctn.tecnico.ulisboa.pt, Valadares, Vasco1,2 (AUTHOR), Pereira, André1,3 (AUTHOR), Gonçalves, António P.2,3,4 (AUTHOR), Neves, Filipe4,5 (AUTHOR), Sá, Ana4,6 (AUTHOR), Luz, Paulo1,4 (AUTHOR), Monteiro, Bernardo1,2 (AUTHOR), Galatanu, Andrei3,5 (AUTHOR), Monnier, Judith4,6 (AUTHOR), Villeroy, Benjamin5,6 (AUTHOR), Dias, Marta1,3,6 (AUTHOR)
Source: Materials (1996-1944). Mar2026, Vol. 19 Issue 5, p987. 17p.
Subjects: High-entropy alloys, Phase equilibrium, Monte Carlo method, Tantalum, Thermal diffusivity, Titanium, Molecular dynamics
Abstract: Materials capable of withstanding extreme environments open promising opportunities for nuclear fusion reactors. In this study, equiatomic CrFeTaVW and CrFeTiVW high-entropy alloys are investigated as interlayer materials between W and CuCrZr. Monte Carlo and Molecular Dynamics simulations predicted a bcc-type structure for both systems. Additionally, the Monte Carlo simulation predicts lower potential energy and a more stable structure for both systems than Molecular Dynamics. For CrFeTaVW, the chemical segregation values are lower in MC than in the MD simulation, whereas for CrFeTiVW, the opposite trend is observed, with MC indicating stronger segregation values. After simulation, the high-entropy alloys were prepared by planetary ball milling, consolidated by spark plasma sintering, and analyzed using X-ray diffraction, scanning electron microscopy, and thermal diffusivity. The experimental results for the milled powders confirmed the formation of a bcc structure in both alloys. The consolidated material revealed a bcc-type structure and an Fe2Ta Laves phase for the CrFeTaVW HEA, while the CrFeTiVW HEA exhibits two different bcc-type structures. The values of CrFeTaVW and CrFeTiVW thermal diffusivity are between 3.5 and 7 mm2/s, which is consistent with the expected values for high-entropy alloys. Overall, the findings indicate that these HEAs have promising properties that can be used in extreme environments. [ABSTRACT FROM AUTHOR]
Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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  Label: Title
  Group: Ti
  Data: CrFeVW X (X = Ta or Ti) High-Entropy Alloy: A Theoretical and Experimental Comparative Investigation on Phase Stability.
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  Data: <searchLink fieldCode="AR" term="%22Martins%2C+Ricardo%22">Martins, Ricardo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> ricardo.martins@ctn.tecnico.ulisboa.pt</i><br /><searchLink fieldCode="AR" term="%22Valadares%2C+Vasco%22">Valadares, Vasco</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Pereira%2C+André%22">Pereira, André</searchLink><relatesTo>1,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Gonçalves%2C+António+P%2E%22">Gonçalves, António P.</searchLink><relatesTo>2,3,4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Neves%2C+Filipe%22">Neves, Filipe</searchLink><relatesTo>4,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Sá%2C+Ana%22">Sá, Ana</searchLink><relatesTo>4,6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Luz%2C+Paulo%22">Luz, Paulo</searchLink><relatesTo>1,4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Monteiro%2C+Bernardo%22">Monteiro, Bernardo</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Galatanu%2C+Andrei%22">Galatanu, Andrei</searchLink><relatesTo>3,5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Monnier%2C+Judith%22">Monnier, Judith</searchLink><relatesTo>4,6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Villeroy%2C+Benjamin%22">Villeroy, Benjamin</searchLink><relatesTo>5,6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Dias%2C+Marta%22">Dias, Marta</searchLink><relatesTo>1,3,6</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Materials+%281996-1944%29%22">Materials (1996-1944)</searchLink>. Mar2026, Vol. 19 Issue 5, p987. 17p.
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  Data: <searchLink fieldCode="DE" term="%22High-entropy+alloys%22">High-entropy alloys</searchLink><br /><searchLink fieldCode="DE" term="%22Phase+equilibrium%22">Phase equilibrium</searchLink><br /><searchLink fieldCode="DE" term="%22Monte+Carlo+method%22">Monte Carlo method</searchLink><br /><searchLink fieldCode="DE" term="%22Tantalum%22">Tantalum</searchLink><br /><searchLink fieldCode="DE" term="%22Thermal+diffusivity%22">Thermal diffusivity</searchLink><br /><searchLink fieldCode="DE" term="%22Titanium%22">Titanium</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: Materials capable of withstanding extreme environments open promising opportunities for nuclear fusion reactors. In this study, equiatomic CrFeTaVW and CrFeTiVW high-entropy alloys are investigated as interlayer materials between W and CuCrZr. Monte Carlo and Molecular Dynamics simulations predicted a bcc-type structure for both systems. Additionally, the Monte Carlo simulation predicts lower potential energy and a more stable structure for both systems than Molecular Dynamics. For CrFeTaVW, the chemical segregation values are lower in MC than in the MD simulation, whereas for CrFeTiVW, the opposite trend is observed, with MC indicating stronger segregation values. After simulation, the high-entropy alloys were prepared by planetary ball milling, consolidated by spark plasma sintering, and analyzed using X-ray diffraction, scanning electron microscopy, and thermal diffusivity. The experimental results for the milled powders confirmed the formation of a bcc structure in both alloys. The consolidated material revealed a bcc-type structure and an Fe2Ta Laves phase for the CrFeTaVW HEA, while the CrFeTiVW HEA exhibits two different bcc-type structures. The values of CrFeTaVW and CrFeTiVW thermal diffusivity are between 3.5 and 7 mm2/s, which is consistent with the expected values for high-entropy alloys. Overall, the findings indicate that these HEAs have promising properties that can be used in extreme environments. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Materials (1996-1944) is the property of MDPI and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.3390/ma19050987
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      – Code: eng
        Text: English
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        PageCount: 17
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      – SubjectFull: High-entropy alloys
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      – SubjectFull: Phase equilibrium
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