Influence of the electronic polymorphism of Ni on the classification and design of high entropy alloys
| العنوان: | Influence of the electronic polymorphism of Ni on the classification and design of high entropy alloys |
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| المؤلفون: | U. Dahlborg, S. G. R. Brown, Monique Calvo-Dahlborg, Jean Juraszek |
| المساهمون: | Groupe de physique des matériaux (GPM), Centre National de la Recherche Scientifique (CNRS)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU), College of Engineering [Swansea], Swansea University, Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Matériaux Avancés (IRMA), Université de Caen Normandie (UNICAEN), Normandie Université (NU)-Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Université de Rouen Normandie (UNIROUEN), Normandie Université (NU)-Institut national des sciences appliquées Rouen Normandie (INSA Rouen Normandie), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université de Caen Normandie (UNICAEN), Normandie Université (NU)-École Nationale Supérieure d'Ingénieurs de Caen (ENSICAEN), Normandie Université (NU)-Commissariat à l'énergie atomique et aux énergies alternatives (CEA)-Centre National de la Recherche Scientifique (CNRS), Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Université de Rouen Normandie (UNIROUEN), Institut National des Sciences Appliquées (INSA)-Normandie Université (NU)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS) |
| المصدر: | Journal of Alloys and Compounds Journal of Alloys and Compounds, Elsevier, 2020, 824, pp.153895. ⟨10.1016/j.jallcom.2020.153895⟩ Journal of Alloys and Compounds, 2020, 824, pp.153895. ⟨10.1016/j.jallcom.2020.153895⟩ Journal of Alloys and Compounds, Elsevier, 2020, pp.153895. ⟨10.1016/j.jallcom.2020.153895⟩ |
| بيانات النشر: | HAL CCSD, 2020. |
| سنة النشر: | 2020 |
| مصطلحات موضوعية: | Materials science, Neutron diffraction, Alloy, design, Thermodynamics, chemistry.chemical_element, 02 engineering and technology, Electronic structure, engineering.material, 010402 general chemistry, 01 natural sciences, Materials Chemistry, [CHIM.CRIS]Chemical Sciences/Cristallography, [PHYS.COND.CM-DS-NN]Physics [physics]/Condensed Matter [cond-mat]/Disordered Systems and Neural Networks [cond-mat.dis-nn], Saturation (magnetic), ComputingMilieux_MISCELLANEOUS, HEA, Mechanical Engineering, High entropy alloys, Brillouin, Metals and Alloys, [CHIM.MATE]Chemical Sciences/Material chemistry, e/a, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Brillouin zone, Nickel, chemistry, Mechanics of Materials, magnetism, engineering, [PHYS.COND.CM-MS]Physics [physics]/Condensed Matter [cond-mat]/Materials Science [cond-mat.mtrl-sci], 0210 nano-technology, phases, Solid solution |
| الوصف: | International audience; According to a recent Hume-Rothery approach, the electron concentration, e/a, and the average radius can be used to identify the domain of stability of HEAs and to estimate the phases that may occur in the alloy. The present study investigates the influence of the electronic polymorphism of nickel on the efficiency of the classification and on the design of HEAs for magnetic applications. Many different compositions were used, based on 4 to 7 elements out of a total 13 different elements (Co, Cr, Fe, Ni, Al, Cu, Pd, Ti, Mn, V, Nb, Sn, Ru). Phases have been determined by X-ray and neutron diffraction as well as in some cases high energy X-ray diffraction. The e/a for the constituent elements is calculated according to Massalski. The two polymorphic electronic structure of nickel, namely (e/a) Ni ¼ 1 or (e/a) Ni ¼ 2 are considered. The average e/a for the alloy is calculated assuming a solid solution case. The electronic structure [Ar] 3d 9 4s 1 seems to be more appropriate for the classification of HEAs. Based on a Self-organising Map predictions are made for the average magnetic moment at saturation for this electronic structure of Ni. Non-saturated values and data from the literature are compared with the predictions. The consequences of such results when modelling the structure and properties of Ni containing HEAs are presented, in particular the consideration of the shape and transformation of the Brillouin zone. |
| اللغة: | English |
| تدمد: | 0925-8388 |
| DOI: | 10.1016/j.jallcom.2020.153895⟩ |
| URL الوصول: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7d5053c7deee6d501f6afbb8963dad32 https://hal.archives-ouvertes.fr/hal-02611176 |
| Rights: | OPEN |
| رقم الانضمام: | edsair.doi.dedup.....7d5053c7deee6d501f6afbb8963dad32 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 09258388 |
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| DOI: | 10.1016/j.jallcom.2020.153895⟩ |