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| DOI | 10.1016/J.MTCOMM.2025.111628 | ||||
| Año | 2025 | ||||
| Tipo | artículo de investigación |
Citas Totales
Autores Afiliación Chile
Instituciones Chile
% Participación
Internacional
Autores
Afiliación Extranjera
Instituciones
Extranjeras
Atomistic simulations were employed to investigate the mechanical properties of a Face-centered Cubic (FCC) FeNiCrCoCu and abase centered cubic (BCC) HfNbTaZrTi High Entropy Alloy (HEA) nanoparticles. The study reveals that both types of nanoparticles exhibit significantly higher yield strength, compressive strength, and effective Young's modulus compared to their bulk HEA counterparts, consistent with experimental observations. Plastic deformation in BCC nanoparticles is facilitated by 1/2 < 111 > dislocations, serving as precursors for twin- assisted deformation. In contrast, FCC nanoparticles undergo plastic deformation characterized by nucleation and pile-up of stacking faults, akin to other FCC nanoparticles. Results are compared to the respective average atom materials. For FCC AA the behavior is extremely similar to the HEA FCC case. For BCC AA there are significant differences in dislocation and twinning behavior compared to the BCC HEA case, leading to more twins and less dislocations in the AA case. The similarity in deformation mechanisms for HEA and FCC nanoparticles suggests that the crystal lattice dictates deformation behavior, rather than chemical complexity. However, for BCC NPs, chemical complexity plays a role in the interplay between dislocations and twins, and on dislocation evolution. This study enhances our understanding of high-entropy alloy nanoparticle mechanics and offers insights into tailoring material responses through surface modification.
| Ord. | Autor | Género | Institución - País |
|---|---|---|---|
| 1 | Roco, Fiorella R. | - |
Universidad Católica del Maule - Chile
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| 2 | Valencia, Felipe J. | - |
Universidad Católica del Maule - Chile
Universidad de Santiago de Chile - Chile Fac Ciencias Ingn - Chile Centro para el Desarrollo de la Nanociencia y la Nanotecnologia - Chile Facultad de Ingeniería, Ciencias y Administración - Chile |
| 3 | Rogan, J. | - |
Universidad de Chile - Chile
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| 4 | Ramirez, M. | - |
Universidad de Chile - Chile
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| 5 | Cartellone, Federico A. | - |
Univ Mendoza - Argentina
Universidad de Mendoza - Argentina |
| 6 | Bringa, Eduardo M. | Hombre |
Univ Mendoza - Argentina
Consejo Nacl Invest Cient & Tecn - Argentina Universidad de Mendoza - Argentina Consejo Nacional de Investigaciones Científicas y Técnicas - Argentina |
| Fuente |
|---|
| Fondo Nacional de Desarrollo Científico y Tecnológico |
| Financiamiento Basal para Centros Científicos y Tecnológicos de Excelencia |
| Fondo Nacional de Desarrollo Cientifico y Tecnologico (FONDECYT, Chile) |
| Secretaria de Ciencia y Tecnología - Universidad Nacional de Córdoba |
| Ministerio de Ciencia, Tecnología e Innovación |
| Basal para Centros Científicos y Tecnológicos de Excelencia |
| Agradecimiento |
|---|
| FC and EMB thanks support by PICTO-UM-2019-00048, PIP-2021-2023 11220200102578CO and SIIP-UNCUYO 06/M008-T1. FV thanks the Fondo Nacional de Desarrollo Cientifico y Tecnologico (FONDECYT, Chile) under Grants #1240665, #11190484, and #1240663. FV, MR and JR thank the Financiamiento Basal para Centros Cientificos y Tecnologicos de Excelencia AFB220001. This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02) . This work used computational resources from CCAD - Universidad Nacional de Cordoba (https://ccad.unc.edu.ar/), which are part of SNCAD - MinCyT, Republica Argentina. |
| OD, and EMB thanks support by PICTO-UM - 2019-00048 , PIP - 2021-2023 11220200102578CO and SIIP-UNCUYO 06/M008-T1 . FV thanks the Fondo Nacional de Desarrollo Cient\u00EDfico Tecnol\u00F3gico (FONDECYT, Chile) under Grants #1240665 , #11190484 , and #1240663 . FV, MR and JR thank the Financiamiento Basal para Centros Cient\u00EDficos Tecnol\u00F3gicos de Excelencia AFB220001 . This research was partially supported by the supercomputing infrastructure of the NLHPC ( ECM-02 ). This work used computational resources from CCAD \u2013 Universidad Nacional de C\u00F3rdoba ( https://ccad.unc.edu.ar/ ), which are part of SNCAD \u2013 MinCyT, Rep\u00FAblica Argentina. |
| OD, and EMB thanks support by PICTO-UM - 2019-00048 , PIP - 2021-2023 11220200102578CO and SIIP-UNCUYO 06/M008-T1 . FV thanks the Fondo Nacional de Desarrollo Cient\u00EDfico Tecnol\u00F3gico (FONDECYT, Chile) under Grants #1240665 , #11190484 , and #1240663 . FV, MR and JR thank the Financiamiento Basal para Centros Cient\u00EDficos Tecnol\u00F3gicos de Excelencia AFB220001 . This research was partially supported by the supercomputing infrastructure of the NLHPC ( ECM-02 ). This work used computational resources from CCAD \u2013 Universidad Nacional de C\u00F3rdoba ( https://ccad.unc.edu.ar/ ), which are part of SNCAD \u2013 MinCyT, Rep\u00FAblica Argentina. |