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dc.contributor.author
Deluigi, Orlando Raul
dc.contributor.author
Valencia, Felipe
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Tramontina Videla, Diego Ramiro
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Amigo, Nicolás
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Rojas Nunez, Javier
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Bringa, Eduardo Marcial
dc.date.available
2024-01-03T14:44:58Z
dc.date.issued
2023-02
dc.identifier.citation
Deluigi, Orlando Raul; Valencia, Felipe; Tramontina Videla, Diego Ramiro; Amigo, Nicolás; Rojas Nunez, Javier; et al.; Influence of Grain Size on Mechanical Properties of a Refractory High Entropy Alloy under Uniaxial Tension; MDPI; Crystals; 13; 2; 2-2023; 1-20
dc.identifier.issn
2073-4352
dc.identifier.uri
http://hdl.handle.net/11336/222256
dc.description.abstract
There is a growing interest in High Entropy Alloys (HEAs) due to their outstanding mechanical properties. Most simulation studies have focused on face-centered cubic (fcc) HEAs; however, bcc HEAs can offer a larger elastic modulus and plastic yielding, thus, becoming possible candidates for the next generation of refractory materials. In this work, we focus on molecular dynamics (MD) simulations of bcc HfNbTaZr nanocrystalline samples, with a grain size (d) between 5 and 17 nm, deformed under tension at 300 K. The elastic modulus increases with the grain size and reaches a plateau near 10 nm. We find the typical inverse Hall–Petch (HP) behavior with yield strength, ultimate tensile stress (UTS), and flow stress increasing with d. Up to 12 nm, there are contributions from dislocations and twins; however, grain boundary (GB) activity dominates deformation. For the 5 nm grains, the GB disorder extends and leads to extensive amorphization and grain size reduction. For (Formula presented.) nm, there is a HP-type behavior with dislocations and twinning controlling deformation. For this regime, there is hardening at large strains. Compared to bcc single metal samples, the HP maximum of this HEA appears at a lower grain size, and this could be related to the chemical complexity facilitating dislocation nucleation. We use machine learning to help understand deformation regimes. We also compare our results to a single crystal (SC) HfNbTaZr HEA deformed along [001] and find that the single crystal is weaker than the nanocrystalline samples. The single crystal deforms initially by twinning and then rapidly by dislocation multiplication, leading to strong hardening. It has been proposed that edge dislocations play a major role in bcc HEA plasticity, and we also analyze the relative contributions of edge versus screw dislocations during deformation for both single crystal and nanocrystalline samples.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
MDPI
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by/2.5/ar/
dc.subject
HIGH ENTROPY ALLOYS
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MOLECULAR DYNAMICS
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TWINNING
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Física de los Materiales Condensados
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Ciencias Físicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Influence of Grain Size on Mechanical Properties of a Refractory High Entropy Alloy under Uniaxial Tension
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2024-01-03T12:29:46Z
dc.journal.volume
13
dc.journal.number
2
dc.journal.pagination
1-20
dc.journal.pais
Suiza
dc.description.fil
Fil: Deluigi, Orlando Raul. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina. Universidad de Mendoza. Facultad de Ingenieria; Argentina
dc.description.fil
Fil: Valencia, Felipe. Universidad Catolica de Maule; Chile
dc.description.fil
Fil: Tramontina Videla, Diego Ramiro. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
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Fil: Amigo, Nicolás. Universidad San Sebastián; Chile
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Fil: Rojas Nunez, Javier. Universidad de Santiago de Chile; Chile
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Fil: Bringa, Eduardo Marcial. Universidad de Mendoza. Facultad de Ingenieria; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina
dc.journal.title
Crystals
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://www.mdpi.com/2073-4352/13/2/357
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.3390/cryst13020357
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