Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloys
This study investigates the latent heat storage characteristics of equiatomic NiTi alloys by examining phase transition through both first-principles calculations and experimental observations. Changes in the density of states near the Fermi energy (Ef) during the transition from the B2 to B19′ stru...
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Elsevier
2025-05-01
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| Series: | Journal of Materials Research and Technology |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2238785425008804 |
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| author | Asaya Fujita Hiroyuki Nakayama Tetsuya Fukushima |
| author_facet | Asaya Fujita Hiroyuki Nakayama Tetsuya Fukushima |
| author_sort | Asaya Fujita |
| collection | DOAJ |
| description | This study investigates the latent heat storage characteristics of equiatomic NiTi alloys by examining phase transition through both first-principles calculations and experimental observations. Changes in the density of states near the Fermi energy (Ef) during the transition from the B2 to B19′ structure were identified as favorable for reducing electronic correlations, resulting in an energy difference of 0.1 eV and enhanced magnitude of latent heat (η). The antibonding states around Ef are composed of 3d orbitals extending along specific directions in the B2 lattice, reflecting the significant difference in core potentials between Ni and Ti. In Nb-doped NiTi alloys subjected to pre-deformation, a decrease in η and the critical temperature was observed due to repeated transitions during thermal cycling. Additionally, the Pauli paramagnetic susceptibility (χp) increased in the B19′ phase. These effects arise from structural modifications in the B19’ phase induced by thermal cycling, rather than variations in the retained austenite volume. |
| format | Article |
| id | doaj-art-3b4877970702459f9ea1a4e1e1b5d87d |
| institution | OA Journals |
| issn | 2238-7854 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Journal of Materials Research and Technology |
| spelling | doaj-art-3b4877970702459f9ea1a4e1e1b5d87d2025-08-20T02:27:57ZengElsevierJournal of Materials Research and Technology2238-78542025-05-01364714471810.1016/j.jmrt.2025.04.059Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloysAsaya Fujita0Hiroyuki Nakayama1Tetsuya Fukushima2National Institute of Advanced Industrial Science and Technology, AIST (Chubu-center), 463-8560, Nagoya, Japan; Corresponding author. National Institute of Advanced Industrial Science and Technology, 4-205 Sakura-zaka Moriyama-ku, Nagoya, Aichi, 463-8560, Japan.National Institute of Advanced Industrial Science and Technology, AIST (Chubu-center), 463-8560, Nagoya, JapanNational Institute of Advanced Industrial Science and Technology, AIST (Materials DX Research Center), 305-856, Tsukuba, JapanThis study investigates the latent heat storage characteristics of equiatomic NiTi alloys by examining phase transition through both first-principles calculations and experimental observations. Changes in the density of states near the Fermi energy (Ef) during the transition from the B2 to B19′ structure were identified as favorable for reducing electronic correlations, resulting in an energy difference of 0.1 eV and enhanced magnitude of latent heat (η). The antibonding states around Ef are composed of 3d orbitals extending along specific directions in the B2 lattice, reflecting the significant difference in core potentials between Ni and Ti. In Nb-doped NiTi alloys subjected to pre-deformation, a decrease in η and the critical temperature was observed due to repeated transitions during thermal cycling. Additionally, the Pauli paramagnetic susceptibility (χp) increased in the B19′ phase. These effects arise from structural modifications in the B19’ phase induced by thermal cycling, rather than variations in the retained austenite volume.http://www.sciencedirect.com/science/article/pii/S2238785425008804Martensitic phase transformationElectronic structureNickel alloysDifferential scanning calorimetry (DSC)Latent heat storage |
| spellingShingle | Asaya Fujita Hiroyuki Nakayama Tetsuya Fukushima Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloys Journal of Materials Research and Technology Martensitic phase transformation Electronic structure Nickel alloys Differential scanning calorimetry (DSC) Latent heat storage |
| title | Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloys |
| title_full | Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloys |
| title_fullStr | Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloys |
| title_full_unstemmed | Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloys |
| title_short | Interrelation between caloric characteristics and electronic / atomic structures in solid-state latent heat storage NiTi alloys |
| title_sort | interrelation between caloric characteristics and electronic atomic structures in solid state latent heat storage niti alloys |
| topic | Martensitic phase transformation Electronic structure Nickel alloys Differential scanning calorimetry (DSC) Latent heat storage |
| url | http://www.sciencedirect.com/science/article/pii/S2238785425008804 |
| work_keys_str_mv | AT asayafujita interrelationbetweencaloriccharacteristicsandelectronicatomicstructuresinsolidstatelatentheatstoragenitialloys AT hiroyukinakayama interrelationbetweencaloriccharacteristicsandelectronicatomicstructuresinsolidstatelatentheatstoragenitialloys AT tetsuyafukushima interrelationbetweencaloriccharacteristicsandelectronicatomicstructuresinsolidstatelatentheatstoragenitialloys |