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Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy

2024-04Journal article Open access
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dc.contributor.authorMartins, Ricardo
dc.contributor.authorGonçalves, António Pereira
dc.contributor.authorCorreia, J.B.
dc.contributor.authorGalatanu, Andrei
dc.contributor.authorAlves, E.
dc.contributor.authorTejado, Elena
dc.contributor.authorPastor, Jose Ygnacio
dc.contributor.authorDias, Marta
dc.date.accessioned2024-05-24T15:47:13Z
dc.date.available2024-05-24T15:47:13Z
dc.date.issued2024-04
dc.description.abstractABSTRACT: Developing new materials to be applied in extreme environments is an opportunity and a challenge for the future. High entropy alloys are new materials that seem promising approaches to work in nuclear fusion reactors. In this work, FeTaTiVW high entropy alloys were developed and characterized with Molecular Dynamic and Hybrid Molecular Dynamic Monte Carlo simulations. The simulation results show that phase separation originates a lower potential energy per atom and a high level of segregation compared to those of a uniform solid solution. Moreover, the experimental diffractogram of the milled powder shows the formation of a body-centred cubic-type structure and the presence of TiO2. In addition, the microstructure of the consolidated material evidenced three phases: W-rich, Ti-rich, and a phase with all the elements. This phase separation observed in the microstructure agrees with the Hybrid Molecular Dynamic Monte Carlo simulation. Moreover, the consolidated material's thermal conductivity and specific heat are almost constant from 25 degrees C to 1000 degrees C, and linear expansion increases with increasing temperature. On the other hand, specific heat and thermal expansion values are in between CuCrZr and W values (materials chosen for the reactor walls). The FeTaTiVW high entropy alloy evidences a ductile behaviour at 1000 degrees C. Therefore, the promising thermal properties of this system can be attributed to the multiple phases and systems with different compositions of the same elements, which is exciting for future developments.pt_PT
dc.description.versioninfo:eu-repo/semantics/publishedVersionpt_PT
dc.identifier.citationMartins, R., Gonçalves, A.P., Correia, J.B., Galatanu, A., Alves, E., Tejado, E., Pastor, J.Y. & Dias, M. (2024) Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy. In: Metals, 2024, vol. 14(4), article nº 436. https://doi.org/10.3390/met14040436pt_PT
dc.identifier.doi10.3390/met14040436pt_PT
dc.identifier.eissn2075-4701
dc.identifier.urihttp://hdl.handle.net/10400.9/4304
dc.language.isoengpt_PT
dc.peerreviewedyespt_PT
dc.publisherMDPIpt_PT
dc.relationInstitute for Plasmas and Nuclear Fusion
dc.relationInstitute for Plasmas and Nuclear Fusion
dc.relationImplementation of activities described in the Roadmap to Fusion during Horizon 2020 through a Joint programme of the members of the EUROfusion consortium
dc.relation.publisherversionhttps://doi.org/10.3390/ma17081773pt_PT
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/pt_PT
dc.subjectHigh entropy alloyspt_PT
dc.subjectMonte Carlo simulationpt_PT
dc.subjectMolecular mechanicspt_PT
dc.subjectThermal propertiespt_PT
dc.subjectMechanical propertiespt_PT
dc.titleSimulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloypt_PT
dc.typejournal article
dspace.entity.typePublication
oaire.awardTitleInstitute for Plasmas and Nuclear Fusion
oaire.awardTitleInstitute for Plasmas and Nuclear Fusion
oaire.awardTitleImplementation of activities described in the Roadmap to Fusion during Horizon 2020 through a Joint programme of the members of the EUROfusion consortium
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDB%2F50010%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UIDP%2F50010%2F2020/PT
oaire.awardURIinfo:eu-repo/grantAgreement/EC/H2020/633053/EU
oaire.citation.titleMetalspt_PT
oaire.citation.volume14pt_PT
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStream6817 - DCRRNI ID
oaire.fundingStreamH2020
person.familyNameMartins
person.familyNamePereira Gonçalves
person.familyNameCorreia
person.familyNameGalatanu
person.familyNameAlves
person.familyNameTejado
person.familyNamePastor
person.familyNameDias
person.givenNameRicardo
person.givenNameAntonio
person.givenNameJose B.
person.givenNameAndrei
person.givenNameEduardo
person.givenNameElena
person.givenNameJose Ygnacio
person.givenNameMarta
person.identifier.ciencia-id4D1A-2834-70FA
person.identifier.ciencia-idC31C-D617-6377
person.identifier.ciencia-id7911-8653-3CF4
person.identifier.ciencia-id0E13-5F70-9D8A
person.identifier.orcid0000-0001-7768-5704
person.identifier.orcid0000-0003-2640-3038
person.identifier.orcid0000-0002-8314-0695
person.identifier.orcid0000-0001-8474-8259
person.identifier.orcid0000-0003-0633-8937
person.identifier.orcid0000-0002-5240-6702
person.identifier.orcid0000-0003-3561-5999
person.identifier.orcid0000-0001-6797-7711
person.identifier.ridB-2849-2008
person.identifier.scopus-author-id7102086109
person.identifier.scopus-author-id7202364148
person.identifier.scopus-author-id35415989000
person.identifier.scopus-author-id55837277500
person.identifier.scopus-author-id7201639528
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100001871
project.funder.identifierhttp://doi.org/10.13039/501100008530
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameFundação para a Ciência e a Tecnologia
project.funder.nameEuropean Commission
rcaap.rightsopenAccesspt_PT
rcaap.typearticlept_PT
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