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Brumm, S.*; Gabrielli, F.*; Sanchez Espinoza, V.*; Stakhanova, A.*; Groudev, P.*; Petrova, P.*; Vryashkova, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; et al.
Annals of Nuclear Energy, 211, p.110962_1 - 110962_16, 2025/02
被引用回数：3 パーセンタイル：86.32(Nuclear Science & Technology)The completed Horizon-2020 project on "Management and Uncertainties of Severe Accidents (MUSA)" has reviewed uncertainty sources and Uncertainty Quantification methodology for the purpose of assessing Severe Accidents (SA). The key motivation of the project has been to bring the advantages of the Best Estimate Plus Uncertainty approach to the field of Severe Accident. The applications brought together a large group of participants that set out to apply uncertainty analysis (UA) within their field of SA modelling expertise, in particular reactor types, but also SA code used (ASTEC, MELCOR, etc.), uncertainty quantification tools used (DAKOTA, RAVEN, etc.), detailed accident scenarios, and in some cases SAM actions. This paper synthesizes the reactor-application work at the end of the project. Analyses of 23 partners are sorted into different categories, depending on whether their main goal is/are (i) uncertainty bands of simulation results; (ii) the understanding of dominating uncertainties in specific sub-models of the SA code; (iii) improving the understanding of specific accident scenarios, with or without the application of SAM actions; or, (iv) a demonstration of the tools used and developed, and of the capability to carry out an uncertainty analysis in the presence of the challenges faced. The partners' experiences made during the project have been evaluated and are presented as good practice recommendations. The paper ends with conclusions on the level of readiness of UA in SA modelling, on the determination of governing uncertainties, and on the analysis of SAM actions.
neutron imaging and diffraction analysis revealing spatial lithiation phase evolution in an ultra-thick graphite electrodeStrobl, M.*; Baur, M. E.*; Samothrakitis, S.*; Molamud, F.*; Zhang, X.*; Tung, P. K. M.*; Schmidt, S.*; Woracek, R.*; Lee, J.*; 鬼柳 亮嗣; et al.
Advanced Energy Materials, p.2405238_1 - 2405238_9, 2025/01
Energy-efficient, safe, and reliable Li-ion batteries (LIBs) are required for a wide range of applications. The introduction of ultra-thick graphite anodes, desired for high energy densities, meets limitations in internal electrode transport properties, leading to detrimental consequences. Yet, there is a lack of experimental tools capable of providing a complete view of local processes. Here, a multi-modal measurement approach is introduced, enabling quantitative spatio-temporal observations of Li concentrations and intercalation phases in ultra-thick graphite electrodes. Neutron imaging and diffraction concurrently provide correlated multiscale information from the scale of the cell down to the crystallographic scale. In particular, the evolving formation of the solid electrolyte interphase (SEI), observation of gradients in total lithium content, as well as in the formation of ordered Li
C
phases and trapped lithium are mapped throughout the first charge-discharge cycle of the cell. Different lithiation stages co-exist during charging and discharging; delayed lithiation and delithiation processes are observed in central regions of the electrode, while the SEI formation, potential plating, and dead lithium are predominantly found closer to the interface with the separator. The study emphasizes the potential to investigate Li-ion diffusion and the kinetics of lithiation phase formation in thick electrodes.
Liu, P.-F.*; Li, X.*; Li, J.*; Zhu, J.*; Tong, Z.*; 古府 麻衣子*; 楡井 真実; Xu, J.*; Yin, W.*; Wang, F.*; et al.
National Science Review, 11(12), p.nwae216_1 - nwae216_10, 2024/12
被引用回数：7 パーセンタイル：88.60(Multidisciplinary Sciences)Crystalline solids exhibiting inherently low lattice thermal conductivity (
) are of great importance in applications such as thermoelectrics and thermal barrier coatings. However, cannot be arbitrarily low and is limited by the minimum thermal conductivity related to phonon dispersions. In this work, we report the liquid-like thermal transport in a well-ordered crystalline CsAg
Te
, which exhibits an extremely low value of 
0.18 Wm
K. On the basis of first-principles calculations and inelastic neutron scattering measurements, we find that there are lots of low-lying optical phonon modes at 3.1 meV hosting the avoided-crossing behavior with acoustic phonons. These strongly localized modes are accompanied by weakly bound rattling Ag atoms with thermally induced large amplitudes of vibrations. Using the two-channel model, we demonstrate that coupling of the particle-like phonon modes and the heat-carrying wave-like phonons is essential for understanding the low , which is heavily deviated from the 
temperature dependence of the standard Peierls theory. In addition, our analysis indicates that the soft structural framework with liquid-like motions of the fluctuating Ag atoms is the underlying cause that leads to the suppression of the heat conduction in CsAgTe. These factors synergistically account for the ultralow value. Our results demonstrate that the liquid-like heat transfer could indeed exist in a well-ordered crystal.
Li, F.; 三原 武; 宇田川 豊
Journal of Nuclear Science and Technology, 61(9), p.1265 - 1275, 2024/09
被引用回数：0 パーセンタイル：0.00(Nuclear Science & Technology)In a part of the reactivity-initiated accident (RIA) simulated tests on high-burnup fuels performed at the Nuclear Safety Research Reactor, the fuel failure caused by pellet-cladding mechanical interaction (PCMI) led to splitting into upper- and lower-part pieces or even fragmentation of the cladding tube. A massive release of fuel fragments accompanied this fracture pattern change from previously known axial cracks and thus identified as a potential concern in safety evaluation regarding core coolability. Dedicated out-of-pile mechanical tests were performed with unirradiated Zircaloy-4 cladding specimens to clarify the fracture pattern change conditions. The specimens were pre-hydrided and subjected to loading with axial-to-hoop strain ratios of 0.5-1.25, simulating the effects of hydrogen embrittlement and pellet-cladding mechanical bonding of high-burnup fuels, respectively. The results indicate that higher biaxiality of the loading and lower ductility (failure strain level) assist the fracture pattern change. This study proposes a conservative criterion that a PCMI failure splits the cladding tube into more than two pieces when strain ratio is greater than 0.75 and a concurrent hoop strain 
1.7% at the failure instant.
-
transitionsYang, Q.*; Yang, X.*; Wang, Y.*; Fei, Y.*; Li, F.*; Zheng, H.*; Li, K.*; Han, Y.*; 服部 高典; Zhu, P.*; et al.
Nature Communications (Internet), 15, p.7778_1 - 7778_9, 2024/09
被引用回数：6 パーセンタイル：84.39(Multidisciplinary Sciences)明るい一重項励起子と三重項励起子を同時に発現する発光材料は、オプトエレクトロニクス、サイネージ、情報暗号化において大きな可能性を秘めている。しかしながら、高性能の白色発光を実現するためには、蛍光と燐光の寄与が不均衡であることが大きな障害となっている。ここでは、水素結合の協同効果による圧力処理エンジニアリングによって、n--遷移の混合を実現し、イソフタル酸(IPA)中で三重項状態の発光を7%から40%に高めることで、この課題に対処した。加圧処理したIPAでは、蛍光と燐光のハイブリッドに基づく優れた白色発光が得られ、フォトルミネッセンス量子収率は当初の19%(青色発光)から75%に増加した。その場での高圧IRスペクトル、X線回折、中性子回折から、圧力の上昇に伴い水素結合が連続的に強化されることが明らかになった。さらに、この強化された水素結合は、圧力処理後も常圧条件下まで保持され、バランスの取れた一重項/三重項励起子集団のための効率的な系間交差を目的としたIPAに与え、効率的な白色発光をもたらした。この研究は、有機低分子の三重項状態を明るくするルートを提案するだけでなく、一重項励起子と三重項励起子の比率を調節して、高性能の白色発光を構築するものである。
Li, F.; 成川 隆文; 宇田川 豊
Journal of Nuclear Science and Technology, 61(8), p.1036 - 1047, 2024/08
被引用回数：0 パーセンタイル：0.00(Nuclear Science & Technology)The seismic resistance of fuel cladding during the long-term core cooling after loss-of-coolant accidents (LOCAs) was investigated by performing cyclic four-point bending tests (4PBTs) of up to 1000 cycles with fresh fuel cladding samples that experienced integral thermal shock test, simulating LOCA conditions, including ballooning, rupture, oxidation, and quench. 4PBTs were performed on the samples that survived the quenching process. The results showed that up to 1000 cycles and 5.8 Nm of cyclic loading moment, there was no apparent effect on the bending fracture limit of the fuel cladding under the 4PBT. The scatter of the bending fracture limit for a given equivalent cladding reacted (ECR) evaluated by the Baker-Just oxidation rate equation (BJ-ECR) is attributed to two primary factors: first, the difference between the prescribed and the actual oxidation behavior, confirmed by comparing the BJ-ECR and the ECR evaluated based on metallographic observation (M-ECR), and second, the variated shape of the rupture-opening area after the integral thermal shock test. The strength of the alpha phase-dominant zone near the rupture opening seems to contribute to the bending fracture limit.
Se from combined conversion-electron and 
-ray spectroscopySmallcombe, J.; Garnsworthy, A. B.*; Korten, W.*; Singh, P.*; Muir, D.*; Pr
chniak, L.*; Ali, F. A.*; Andreoiu, C.*; Ansari, S.*; Ball, G. C.*; et al.
Physical Review C, 110(2), p.024318_1 - 024318_16, 2024/08
被引用回数：0 パーセンタイル：0.00(Physics, Nuclear)In the selenium isotopes various shape phenomena are present, in particular the emergence of a dominant oblate deformation in the most neutron-deficient isotopes has been observed. The scenario of shape coexisting oblate and prolate bands has been proposed across the isotopic chain, with the crossing point of such bands being located near Se, where no coexistence has yet been identified. To determine the presence or absence of any low-lying 
state in Se, confirm the level structure, and interpret the nuclear deformation with theoretical models. A combined internal conversion electron and -ray spectroscopy study was undertaken with the SPICE and TIGRESS spectrometers at the TRIUMF-ISAC-II facility. Nuclear models were provided by the Generalised Triaxial Rotor Model (GTRM) and the collective Generalised Bohr Hamiltonian (GBH). Despite a comprehensive search, no evidence was found for the existence of a state below 2 MeV in Se. Significant discrepancies to the previously established positive parity level scheme were found. GBH calculations using UNEDF1 mass parameters were found to reproduce the revised low-lying level structure well. Se does not have a well defined axial shape. The 2
state at 1601 keV resembles a quasi- excitation rather than a member of a shape coexisting band; the presence of such a band is all but ruled out.
Zhou, L.*; Zhang, H.*; Qin, T. Y.*; Hu, F. F.*; 徐 平光; Ao, N.*; Su, Y. H.; He, L. H.*; Li, X. H.*; Zhang, J. R.*; et al.
Metallurgical and Materials Transactions A, 55(7), p.2175 - 2185, 2024/07
被引用回数：3 パーセンタイル：82.75(Materials Science, Multidisciplinary)High-speed railway S38C axles undergo surface induction hardening for durability, but are susceptible to fatigue cracks from foreign object impact. The neutron diffraction method was employed to measure the residual strain in S38C axles, obtaining microscopic lattice distortion data, for the gradient layer at a depth of 8 mm under the surface. The results showed that after induction-hardening, the microscopic lattice distortion had a gradient distribution, decreasing with the distance from the surface. However, in the case of impacting speed of 600 km/m, the average microscopic lattice distortion increased with the distance from the surface, reaching a maximum augmentation of 55 pct. These findings indicate a strong experimental basis, and improve our understanding of the relationship between macroscopic residual stress and decision-making, in regard to operation and maintenance.
-MgAgSbLi, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; 古府 麻衣子; 中島 健次; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.
Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03
被引用回数：7 パーセンタイル：94.53(Physics, Applied)The desire for intrinsically low lattice thermal conductivity (
) in thermoelectrics motivates numerous efforts on understanding the microscopic mechanisms of heat transport in solids. Here, based on theoretical calculations, we demonstrate that -MgAgSb hosts low-energy localized phonon bands and avoided crossing of the rattler modes, which coincides with the inelastic neutron scattering result. Using the two-channel lattice dynamical approach, we find, besides the conventional contribution (70% at 300 K) from particlelike phonons propagating, the coherence contribution dominated by the wavelike tunneling of phonons accounts for 30% of total at 300 K. By considering dual contributions, our calculated room-temperature of 0.64 WmK well agrees with the experimental value of 0.63 WmK. More importantly, our computations give a nonstandard 
dependence, perfectly explaining the abnormal temperature-trend of 
in experiment for -MgAgSb. By molecular dynamics simulation, we reveal that the structure simultaneously has soft crystalline sublattices with the metavalent bonding and fluctuating liquid-like sublattices with thermally induced large amplitude vibrations. These diverse forms of chemical bonding arouse mixed part-crystal part-liquid state, scatter strongly heat-carrying phonons, and finally produce extremely low . The fundamental research from this study will accelerate the design of ultralow- materials for energy-conversion applications.
Linh, B. D.*; Corsi, A.*; Gillibert, A.*; Obertelli, A.*; Doornenbal, P.*; Barbieri, C.*; Duguet, T.*; Gmez-Ramos, M.*; Holt, J. D.*; Hu, B. S.*; et al.
Physical Review C, 109(3), p.034312_1 - 034312_15, 2024/03
被引用回数：1 パーセンタイル：68.69(Physics, Nuclear)理化学研究所RIビームファクトリーにて中性子過剰核
Arビームからの1中性子ノックアウト反応実験を行い、
Arのエネルギー準位および分光学的因子を導出した。特に、第一励起状態の
への分光学的因子が大きいことから、始状態のArの基底状態において中性子が
軌道を多く占めていることがわかった。これは、中性子数32がよい魔法数として知られる
Caとは異なった性質であり、カルシウムからアルゴンへと陽子が2個減ることで閉殻構造が大きく崩れることが明らかになった。
FCC hierarchical martensite transformation under dynamic impact in FeMnAlNiTi alloyLi, C.*; Fang, W.*; Yu, H. Y.*; Peng, T.*; Yao, Z. T.*; Liu, W. G.*; Zhang, X.*; 徐 平光; Yin, F.*
Materials Science & Engineering A, 892, p.146096_1 - 146096_11, 2024/02
被引用回数：3 パーセンタイル：73.35(Nanoscience & Nanotechnology)The quasi-static superelastic responses and hierarchical martensite transformation from body-centered cubic (BCC) to face-centered cubic (FCC) under dynamic impact in Fe
Mn
Al
Ni
Ti
alloys were investigated. Polycrystalline and oligocrystalline alloys were produced through solution heat treatment and cyclic heat treatment processes, respectively. The results show the volume fraction of residual martensite for oligocrystalline alloys is lower, which exhibits better superelastic responses compared with polycrystalline alloys. Dynamic impact tests indicate that, despite the weakening of the grain boundary strengthening effect, the ultimate strength of the oligocrystalline alloys closely matches that of the polycrystalline alloys under dynamic impact. The martensite transformation of the FeMnAlNiTi alloy is characterized as hierarchical under dynamic impact, and increasing strain rates and grain sizes can enhance the BCC FCC martensite transformation, resulting in higher martensite phase fractions for oligocrystalline alloys. The increase in ultimate strength is attributed to the dynamic Hall-Petch effect introduced by more martensite phase interfaces under dynamic impact.
Be ground-state molecular structure using Be(
)
He triple differential reaction cross-section measurementsLi, P. J.*; Beaumel, D.*; Lee, J.*; Assi
, M.*; Chen, S.*; Franchoo, S.*; Gibelin, J.*; Hammache, F.*; Harada, T.*; 延与 佳子*; et al.
Physical Review Letters, 131(21), p.212501_1 - 212501_7, 2023/11
被引用回数：14 パーセンタイル：91.25(Physics, Multidisciplinary)Beのクラスター構造を()反応を用いて調査した。三重微分断面積が実験的に測定され、Tohsaki-Horiuchi-Schuck-R
pke波動関数の方法や反対称化分子動力学を用いた歪曲波インパルス近似計算と比較した。実験データと理論計算の顕著な一致が確認され、Beの比較的コンパクトな分子状態を確認した。
民井 淳*; Pellegri, L.*; Sderstrm, P.-A.*; Allard, D.*; Goriely, S.*; 稲倉 恒法*; Khan, E.*; 木戸 英治*; 木村 真明*; Litvinova, E.*; et al.
European Physical Journal A, 59(9), p.208_1 - 208_21, 2023/09
被引用回数：5 パーセンタイル：73.33(Physics, Nuclear)光核反応は原子核構造の観点からも応用の観点からも重要であるにも関わらず、その反応断面積は未だに不定性が大きい。近年、超高エネルギー宇宙線の起源を探るために、鉄よりも軽い原子核の光核反応断面積を正確に知る必要が指摘されている。この状況を打破するため、原子核物理の実験、理論、宇宙物理の共同研究となるPANDORAプロジェクトが始まった。本論文はその計画の概要をまとめたものである。原子核実験ではRCNP、iThembaによる仮想光子実験とELI-NPによる実光子実験などが計画されている。原子核理論では、乱雑位相近似計算、相対論的平均場理論、反対称化分子動力学、大規模殻模型計算などが計画されている。これらで得られた信頼性の高い光核反応データベースと宇宙線伝搬コードを組み合わせ、超高エネルギー宇宙線の起源の解明に挑む。
Shangguan, Y.*; Bao, S.*; Dong, Z.-Y.*; Xi, N.*; Gao, Y.-P.*; Ma, Z.*; Wang, W.*; Qi, Z.*; Zhang, S.*; Huang, Z.*; et al.
Nature Physics, 19(12), p.1883 - 1889, 2023/09
被引用回数：18 パーセンタイル：92.16(Physics, Multidisciplinary)The magnetization of a quantum magnet can be pinned at a fraction of its saturated value by collective effects. One example of such a plateau phase is found in spin-1/2 triangular-lattice antiferromagnets. They feature strong geometrical frustration and the plateau phase therein is often interpreted as arising from an order-by-disorder mechanism driven by quantum fluctuations. Here we observe a one-third magnetization plateau under an applied magnetic field in the spin-1 antiferromagnet Na
Ni
BiO with a honeycomb lattice, which, with conventional magnetic interactions, would not be geometrically frustrated. Based on our elastic neutron scattering measurements, we propose the spin structure of the plateau phase to be an unusual partial spin-flop ferrimagnetic order. Our theoretical calculations indicate that bond-anisotropic Kitaev interactions are the source of frustration that produces the plateau. These results suggest that Kitaev interactions provide a different route to frustration and phases driven by quantum fluctuations in high-spin magnets.
O近藤 洋介*; Achouri, N. L.*; Al Falou, H.*; Atar, L.*; Aumann, T.*; 馬場 秀忠*; Boretzky, K.*; Caesar, C.*; Calvet, D.*; Chae, H.*; et al.
Nature, 620(7976), p.965 - 970, 2023/08
被引用回数：23 パーセンタイル：94.90(Multidisciplinary Sciences)非常に中性子が過剰な原子核Oは、陽子、中性子ともに魔法数であることから古くからその性質に興味が持たれていたが、酸素の最後の束縛核
Oよりも中性子が4個も多いため、これまで観測されてこなかった。この論文では、理化学研究所RIBFにて
Fからの1陽子ノックアウト反応によってOを生成し、そこから放出される中性子を測定することによって初めてその観測に成功した。核構造の観点からは、Oでは二重閉殻が保たれているか興味が持たれていたが、実験で得られた分光学的因子が殻模型計算で予言されて程度の大きいことから、閉殻構造をもたない可能性が高いことがわかった。
Ne at the transition into the island of inversion; Detailed structure study of NeWang, H.*; 安田 昌弘*; 近藤 洋介*; 中村 隆司*; Tostevin, J. A.*; 緒方 一介*; 大塚 孝治*; Poves, A.*; 清水 則孝*; 吉田 数貴; et al.
Physics Letters B, 843, p.138038_1 - 138038_9, 2023/08
被引用回数：3 パーセンタイル：64.77(Astronomy & Astrophysics)Neからの1中性子除去反応を用いて、Neの詳細な線分光を行った。平行運動量分布の解析に基づき、Neの準位構造とスピンパリティを決定し、初めて負のパリティ状態を同定した。測定された断面積と運動量分布から、N=20とN=28のシェルギャップの消失の証拠となる有意なintruder p-wave強度が明らかになった。束縛状態については、弱いf-waveの可能性のある強度が観測された。いくつかの有効相互作用を用いた大規模殻模型計算では、実験的に観測された大きなp-wave強度と小さなf-wave強度は再現されず、Ne同位体に沿った反転の島への遷移の完全な理論的記述への挑戦が続いていることを示している。
Ca cast doubt on a doubly magic 
CaChen, S.*; Browne, F.*; Doornenbal, P.*; Lee, J.*; Obertelli, A.*; 角田 佑介*; 大塚 孝治*; 茶園 亮樹*; Hagen, G.*; Holt, J. D.*; et al.
Physics Letters B, 843, p.138025_1 - 138025_7, 2023/08
被引用回数：6 パーセンタイル：84.52(Astronomy & Astrophysics)
Scからの1陽子ノックアウト反応を用いて、
Caと
Caのガンマ崩壊を観測した。Caでは1456(12)keVの線遷移が、Caでは1115(34)keVの遷移が観測された。どちらの遷移も暫定的に
と割り当てられた。有効核子間相互作用をわずかに修正した広い模型空間での殻模型計算では、
準位エネルギー、2中性子分離エネルギー、反応断面積が実験とよく一致し、N=34閉殻の上に新しい殻が形成されていることを裏付けた。その構成要素である
と
軌道はほぼ縮退しており、これはCaが二重魔法核である可能性を排除し、Ca同位体のドリップラインをCaあるいはそれ以上にまで広げる可能性がある。
Goux, P.*; Glessgen, F.*; Gazzola, E.*; Singh Reen, M.*; Focillon, W.*; Gonin, M.*; 田中 智之*; 萩原 開人*; Ali, A.*; 須藤 高志*; et al.
Progress of Theoretical and Experimental Physics (Internet), 2023(6), p.063H01_1 - 063H01_15, 2023/06
被引用回数：0 パーセンタイル：0.00(Physics, Multidisciplinary)We investigated the angular correlation of two -rays emitted in neutron capture at the Materials and Life Science Experimental Facility of J-PARC. The 14 Ge crystals in a cluster detector and one coaxial Ge crystal were employed. We obtained angular correlation functions for two -rays emerging in the electromagnetic transitions of the capture reactions on 
Gd and 
Gd. We found mild angular correlations for the strong, but rare transitions from the resonance state to two excited levels with known spin and parities. In contrast, angular correlations was negligibly small for arbitrary pairs of two -rays produced in the majority of transitions in continuum states.
; Bandgap narrowing, metallization, and remarkable enhancement of photoelectric activityFang, Y.*; Kong, L.*; Wang, R.*; Zhang, Z.*; Li, Z.*; Wu, Y.*; Bu, K.*; Liu, X.*; Yan, S.*; 服部 高典; et al.
Materials Today Physics (Internet), 34, p.101083_1 - 101083_7, 2023/05
被引用回数：8 パーセンタイル：69.27(Materials Science, Multidisciplinary)層状ファンデルワールスハライドは、外部圧力に対して特に敏感であるため、目的とする性質を持つ構造にチューンすることが可能となる。一方で、圧力に非常に敏感であるという特性は、同時に目的とする機能の実現に有害な相転移や格子歪みを引き起こす可能性があるためその操作は依然として困難である。この研究では、層状RhI結晶が持つ極めて弱い層間結合と高い機能可変性を観察した。5GPaという適度な圧力をかけると圧力誘起相転移が起こり、積層構造に変化が現れた。驚くべきことに、この相転移は、圧力に対してほぼ直線的なバンドギャップ減少という傾向に影響を与えなかった。また、より高い圧力では、1.3eVの赤方偏移というかなり大きな調整幅を伴う金属相が観測された。さらに、RhIのキャリア濃度は30GPaで4桁増加し、光電流は7.8GPaで5桁増加することが確認された。これらの結果は、ファンデルワールスハライドの層状構造という特異な特徴を生かした探索、調整、理解のための新たな機会を創出し、原子レベルの薄さを持つマテリアルバイデザインに基づく将来のデバイスとして有望である。
Fe
intermetallic compoundCao, Y.*; Zhou, H.*; Khmelevskyi, S.*; Lin, K.*; Avdeev, M.*; Wang, C.-W.*; Wang, B.*; Hu, F.*; 加藤 健一*; 服部 高典; et al.
Chemistry of Materials, 35(8), p.3249 - 3255, 2023/04
被引用回数：2 パーセンタイル：25.33(Chemistry, Physical)静水圧や化学圧力は、結晶構造を変化させる効率的な刺激であり、材料科学において電気的、磁気的特性のチューニングによく利用されている。しかし、化学圧力は定量化が困難であり、これら両者の定量的な対応関係はまだよくわかっていない。本研究では、負の熱膨張(NTE)を持つ永久磁石の候補である金属間化合物を調べた。放射光X線その場観察により、AlをドープしたHoFeに負の化学圧力があることを明らかにし、単位セル体積の温度・圧力依存性を用いそれを定量的に評価した。また、磁化測定と中性子回折測定を組み合わせることで、磁気秩序に対する化学圧力と静水圧の違いを比較した。興味深いことに、圧力はNTEの抑制と増強を制御するために使用することができた。電子状態計算から、圧力がFermiレベル(EF)に対する主要バンドの上部に影響を与えたことを示しており、これは磁気安定性に影響を与え、それが磁気とNTEを調節する上で重要な役割を果たしていることがわかった。本研究は、圧力の影響を理解し、それを利用して機能性材料の特性を制御する良い例を示している。
