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Che, G.*; Fei, Y.*; Tang, X.*; Zhao, Z.*; 服部 高典; 阿部 淳*; Wang, X.*; Ju, J.*; Dong, X.*; Wang, Y.*; et al.
Physical Chemistry Chemical Physics, 27(2), p.1112 - 1118, 2025/01
被引用回数：1 パーセンタイル：0.00(Chemistry, Physical)芳香族分子の圧力誘起重合(PIP)は、様々な炭素系材料を合成するための効果的な方法として浮上してきた。目的とする構造や機能を得るためには、適切な官能基化された分子前駆体の選択が極めて重要である。本研究では、1,4-ジフルオロベンゼン(1,4-DFB)をPIPの構成要素として選択した。1,4-DFBをその場高圧で調べた結果、約12.0GPaで相転移が起こり、18.7GPaで不可逆的な化学反応が起こることがわかった。生成物の構造解析と反応のカイネティクスから、直線的な成長を伴う擬六方晶積層フッ素ダイヤモンドナノスレッドの形成が明らかになった。高圧下のベンゼンの結晶構造と比較して、1,4-DFBは[001]軸に沿って高い圧縮を示す。この異方的な圧縮は、[01
]軸に沿ったより強いH
相互作用と、[100]軸と[010]軸に沿った潜在的な圧縮阻害H
F相互作用に起因し、[01]軸に沿った可能な反応経路を促進する。この研究は、分子スタッキングを調節し、反応経路に影響を与える官能基化の重要な役割を強調している。
Wang, Y.*; Gong, W.; Su, Y. H.; Li, B.*
Acta Metallurgica Sinica, 60(8), p.1001 - 1016, 2024/08
被引用回数：0 パーセンタイル：0.00(Metallurgy & Metallurgical Engineering)The correlation between the atomic structure, microstructure, and macroscopic properties of structural materials remains a core issue in materials research. In recent years, substantial progress has been achieved in constructing accelerator-based neutron sources and related experimental techniques, offering a robust platform for an in-depth understanding of the aforementioned correlation under real-time and in situ conditions. This article reviews the latest advancements in the application of major neutron characterization techniques, including neutron diffraction, Bragg-edge imaging, small-angle neutron scattering, pair distribution function analysis, and quasi-elastic/inelastic neutron scattering, in structural materials. Furthermore, it particularly highlights the origins and evolution of internal stresses during the phase transformations of steels, deformation mechanisms in light metals such as magnesium alloys, and microstructure and residual stress analyses using Bragg-edge imaging. Finally, a brief outlook on future development trends is provided.
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.
Zeng, Z.*; Zhou, C.*; Zhou, H.*; Han, L.*; Chi, R.*; Li, K.*; 古府 麻衣子; 中島 健次; Wei, Y.*; Zhang, W.*; et al.
Nature Physics, 20(7), p.1097 - 1102, 2024/07
被引用回数：8 パーセンタイル：95.41(Physics, Multidisciplinary)Emergent quasiparticles with a Dirac dispersion in condensed matter systems can be described by the Dirac equation for relativistic electrons, in analogy with Dirac particles in high-energy physics. For example, electrons with a Dirac dispersion have been intensively studied in electronic systems such as graphene and topological insulators. However, charge is not a prerequisite for Dirac fermions, and the emergence of Dirac fermions without a charge degree of freedom has been theoretically predicted to be realized in Dirac quantum spin liquids. These quasiparticles carry a spin of 1/2 but are charge-neutral and so are called spinons. Here we show that the spin excitations of a kagome antiferromagnet, YCu
(OD)
Br
[Br
(OD)
], are conical with a spin continuum inside, which is consistent with the convolution of two Dirac spinons. The predictions of a Dirac spin liquid model with a spinon velocity obtained from spectral measurements are in agreement with the low-temperature specific heat of the sample. Our results, thus, provide spectral evidence for a Dirac quantum spin liquid state emerging in this kagome lattice antiferromagnet. However, the locations of the conical spin excitations differ from those calculated by the nearest-neighbor Heisenberg model, suggesting the Dirac spinons have an unexpected origin.
- and 
-processes following 
-process in the collapsar jetHe, Z.*; 梶野 敏貴*; 日下部 元彦*; Zhou, S.-G.*; 小浦 寛之; 千葉 敏*; Li, H.*; Lin, Y.*
Astrophysical Journal Letters, 966(2), p.L37_1 - L37_7, 2024/05
被引用回数：0 パーセンタイル：0.00(Astronomy & Astrophysics)The slow and intermediate neutron-capture processes, - and -processes, are believed to occur in asymptotic giant branch stars to provide half of the heavy atomic nuclei with A 
. We suggest a possibility that certain types of outflows found in the collapsar, which is a supernova generated by a rapidly rotating massive star undergoing core collapse, leaving behind a black hole and emitting relativistic jets, can provide conditions that are viable for - and -processes as secondary processes following the rapid neutron-capture process, -process. We propose that the pronounced odd-even effect in the mass abundance pattern near rare earth elements in metal-deficient halo stars could be an observational hint for the - and -processes in the collapsar.
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.
SnHuang, Z.*; Wang, W.*; Ye, H.*; Bao, S.*; Shangguan, Y.*; Liao, J.*; Cao, S.*; 梶本 亮一; 池内 和彦*; Deng, G.*; et al.
Physical Review B, 109(1), p.014434_1 - 014434_9, 2024/01
被引用回数：1 パーセンタイル：53.26(Materials Science, Multidisciplinary)TbMnSn is a correlated topological magnet with a Mn-based kagome lattice, in which a Chern gap opens at the Dirac point at low temperatures. The magnetic moment direction of the ferrimagnetic order changes from in the kagome plane to the out-of-plane upon cooling, which is essential for generating the Chern gap, but the underlying mechanism for the spin reorientation remains elusive. Here, we investigate the spin-reorientation transition in TbMnSn using neutron scattering. We provide direct evidence for the spin-reorientation transition and unveil the coexistence of two Tb modes at 200 K. To account for these results, we put forward a model based on SU(N) spin-wave theory, in which there is a temperature evolution of the ground state Tb 
orbitals, driven by the crystalline electric field, single-ion anisotropy, and exchange interactions between Tb and Mn ions. Our findings shed light on the complex magnetism of TbMnSn, despite its relatively simple ground state magnetic structure, and provide insights into the mechanisms for tuning magnetic topological materials.
X-ray synchrotron diffractionLi, H.*; Liu, Y.*; Zhao, W.*; Liu, B.*; 冨永 亜希; 菖蒲 敬久; Wei, D.*
International Journal of Plasticity, 165, p.103612_1 - 103612_20, 2023/06
被引用回数：18 パーセンタイル：93.07(Engineering, Mechanical)コバルトフリーのマルエージング鋼の強度特性を明らかにするために、高エネルギー放射光X線回折法を利用したその場引張試験を行った。マルテンサイト相とオーステナイト相からの回折プロファイルが得られ、それらの強度及び幅が負荷に伴い変化している様子が観察された。回折プロファイルを解析した結果、時効(as-aged)材では、低応力レベルにてマルテンサイトの含有量が緩やかに減少し、高応力レベルでは急激に減少した。一方、熱処理(as-solution)材では、応力の増加とともにオーステナイト相がマルテンサイト相に著しく転移変態している結果が得られた。これらのことがそれぞれの強度特性に起因していることを明らかにした。
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。
frameworks下川 航平*; 畠山 拓也*; Li, H.*; 市坪 哲
Current Opinion in Electrochemistry, 38, p.101209_1 - 101209_8, 2023/04
被引用回数：4 パーセンタイル：18.08(Chemistry, Physical)A wide variety of crystal structures for MnO is promising for basic frameworks of cathode materials in next-generation batteries such as Mg rechargeable batteries. In this short review, recent progress on MnO-based cathode materials for Mg rechargeable batteries is summarized, especially focusing on the structures of the polymorphs, 
-MnO and 
-MnO, to discuss the criteria for achieving topotactic reactions during magnesiation.
Ye, X.*; 下川 航平*; 毛塚 有飛*; 畠山 拓也*; Li, H.*; 市坪 哲
Journal of Physical Chemistry C, 127(11), p.5210 - 5218, 2023/03
被引用回数：1 パーセンタイル：12.62(Chemistry, Physical)In this study, wide-range compositions in Mg-Zn-Mn oxide systems were investigated to understand its phase stability for the development of high-energy-density rechargeable Mg batteries. The obtained results showed that the stability of the spinel structure can be significantly improved by compositionally incorporating stable XO (X = Zn, Mg) with -MnO. In particular, (i) the equimolar mixing of XO and MnO is essential to obtain a single-phase cubic spinel structure and (ii) a higher Zn/Mg ratio is effective for preventing the formation of an irreversible rock salt phase to decrease the overpotential during discharge/charge cycling.
Jiang, X.*; 服部 高典; Xu, X.*; Li, M.*; Yu, C.*; Yu, D.*; Mole, R.*; 矢野 真一郎*; Chen, J.*; He, L.*; et al.
Materials Horizons, 10(3), p.977 - 982, 2023/03
被引用回数：23 パーセンタイル：92.90(Chemistry, Multidisciplinary)現在の蒸気圧縮式冷凍機に代わる環境に優しい冷凍機として、バロカロリック効果に基づく固体冷凍機が世界的に注目されている。一般に、バロカロリック効果が発現する相はいずれも常圧でも存在する。ここでは、それらの物質と違って、KPFが高圧の菱面体晶相を生成することにより、巨大なバロカロリック効果を示すことを実証した。相図は、圧力依存の熱量測定、ラマン散乱測定、中性子回折測定に基づいて構築されたものである。本研究は、巨大バロカロリー効果に、高圧相の生成という新たな手法をもたらすと期待される。
Zhang, H.*; Wu, S. C.*; Ao, N.*; Zhang, J. W.*; Li, H.*; Zhou, L.*; 徐 平光; Su, Y. H.
International Journal of Fatigue, 166, p.107296_1 - 107296_11, 2023/01
被引用回数：17 パーセンタイル：82.36(Engineering, Mechanical)Abnormal damages in railway axles can lead to a significant hazard to running safety and reliability. To this end, a surface treatment was selected to effectively inhibit fatigue crack initiation and growth. In this study, a single edge notch bending fatigue test campaign with artificial notches was conducted to elucidate the fatigue crack non-propagation behavior in railway S38C axles subjected to an induction hardening process. The fatigue cracking behavior in the gradient structure was revealed by optical microscopy, electron backscatter diffraction, and fractography. The microhardness distribution was measured using a Vickers tester. The obtained results show that the microhardness of the strengthening layer is nearly triple that of the matrix. Owing to the gradient microstructures and hardness, as well as compressive residual stress, the fatigue long crack propagates faster once it passes through the hardened zone (approximately 2.0 mm in the radial depth). Thereafter, local retarding (including deflection, branching, and blunting) of the long crack occurs because of the relatively coarse ferrite and pearlite in the transition region and matrix. Totally, this fatigue cracking resistance is reasonably believed to be due to the gradient microstructure and residual stress. These findings help to tailor a suitable detection strategy for maximum defects or cracks in railway axles.
Wei, D.*; Gong, W.; 都留 智仁; Lobzenko, I.; Li, X.*; Harjo, S.; 川崎 卓郎; Do, H.-S.*; Bae, J. W.*; Wagner, C.*; et al.
International Journal of Plasticity, 159, p.103443_1 - 103443_18, 2022/12
被引用回数：97 パーセンタイル：99.76(Engineering, Mechanical)Face-centered cubic single-phase high-entropy alloys (HEAs) containing multi-principal transition metals have attracted significant attention, exhibiting an unprecedented combination of strength and ductility owing to their low stacking fault energy (SFE) and large misfit parameter that creates severe local lattice distortion. Increasing both strength and ductility further is challenging. In the present study, we demonstrate via meticulous experiments that the CoCrFeNi HEA with the addition of the substitutional metalloid Si can retain a single-phase FCC structure while its yield strength (up to 65%), ultimate strength (up to 34%), and ductility (up to 15%) are simultaneously increased, owing to a synthetical effect of the enhanced solid solution strengthening and a reduced SFE. The dislocation behaviors and plastic deformation mechanisms were tuned by the addition of Si, which improves the strain hardening and tensile ductility. The present study provides new strategies for enhancing HEA performance by targeted metalloid additions.
La
Fe
Ni
AsXie, T.*; Liu, C.*; 梶本 亮一; 池内 和彦*; Li, S.*; Luo, H.*
Journal of Physics; Condensed Matter, 34(47), p.474001_1 - 474001_8, 2022/11
被引用回数：0 パーセンタイル：0.00(Physics, Condensed Matter)We report time-of-flight inelastic neutron scattering (INS) investigations on the spin fluctuation spectrum in the 112-type iron-based superconductor (FeSC) CaLaFeNiAs (CaLa-112). In comparison to the 122-type FeSCs with a centrosymmetric tetragonal lattice structure (space group 
) at room temperature and an in-plane stripe-type antiferromagnetic (AF) order at low temperature, the 112 system has a noncentrosymmetric structure (space group 
) with additional zigzag arsenic chains between Ca/La layers and a magnetic ground state with similar wavevector 
but different orientations of ordered moments in the parent compounds. Our INS study clearly reveals that the in-plane dispersions and the bandwidth of spin excitations in the superconducting CaLa-112 closely resemble to those in 122 systems. While the total fluctuating moments 
/Fe are larger than 122 system, the dynamic correlation lengths are similar (
). These results suggest that superconductivity in iron arsenides may have a common magnetic origin under similar magnetic exchange couplings with a dual nature from local moments and itinerant electrons, despite their different magnetic patterns and lattice symmetries.
PbZhang, W. Q.*; Andreyev, A. N.; Liu, Z.*; Seweryniak, D.*; Huang, H.*; Li, Z. H.*; Li, J. G.*; Guo, C. Y.*; 他34名*
Physics Letters B, 829, p.137129_1 - 137129_7, 2022/06
被引用回数：6 パーセンタイル：69.74(Astronomy & Astrophysics)Prompt and delayed 
-ray spectroscopy of the neutron-deficient, semi-magic isotope Pb has been performed at the Argonne Gas-Filled Analyzer. A new 5.15(15)-
s isomeric state at only 308 keV above the spherical 3/2
ground state is identified and classified as a shape isomer. A strongly-coupled band is observed on top of the isomer, which is nearly identical to the one built on the prolate 7/2[514] Nilsson state in the isotone 
Hg. Based on this similarity and on the result of the potential-energy surface calculations, the new isomer in Pb is proposed to originate from the same configuration. The retarded character of the 308-keV transition can be well explained by the significant difference between the prolate parent and spherical daughter configurations, leading to the shape isomerism. The combined results of the present work and the previous -decay and laser spectroscopy studies present evidence for triple shape coexistence at low energy in the negative-parity configurations of Pb, which is well reproduced by the potential-energy surface calculations.
Xia, C.-J.*; Sun, B. Y.*; 丸山 敏毅; Lon, W.-H.*; Li, A.*
Physical Review C, 105(4), p.045803_1 - 045803_14, 2022/04
被引用回数：14 パーセンタイル：92.17(Physics, Nuclear)Assuming spherical and cylindrical approximations for the Wigner-Seitz cell, typical nuclear matter structures (droplet, rod, slab, tube, bubble, and uniform) are observed. We then investigate the equations of state and microscopic structures of nuclear matter with both fixed proton fractions and beta equilibration, where two covariant density functionals, DD-LZ1 and DD-ME2, are adopted. Despite the smaller slope 
of symmetry energy obtained with the functional DD-LZ1, the curvature parameter 
is much larger than that of DD-ME2. Consequently, different mass-radius relations of neutron stars are predicted by the two functionals. Different microscopic structures of non-uniform nuclear matter are obtained as well, which are expected to affect various physical processes in neutron star properties and evolutions.
mesocrystal formationLi, Z.*; Piankova, D.*; Yang, Y.*; 熊谷 友多; Zschiesche, H.*; Jonsson, M.*; Tarakina, N. V.*; Soroka, I. L.*
Angewandte Chemie; International Edition, 61(6), p.e202112204_1 - e202112204_9, 2022/02
被引用回数：7 パーセンタイル：37.29(Chemistry, Multidisciplinary)Ce(III)水溶液の放射線誘起酸化反応によるCeO形成過程を研究した。Ce(III)はガンマ線照射による水の放射線分解で生じるOHラジカルによりCe(IV)に酸化され、水に対する溶解度が減少するため析出し、最終的にはCeOが生成する。この反応過程を透過型電子顕微鏡観察とX線結晶構造解析を用いて調べた。その結果、ガンマ線照射によって生成するCeOは、いくつかの中間的な状態を経てメソ結晶体を形成することを明らかにした。水溶液中でCe(III)が酸化されると、CeO析出の前駆体としてアモルファスなCe(IV)水酸化物が生成する。その後、Ce(IV)水酸化物中でCeOのナノ粒子が成長する。このCeOナノ粒子はアモルファス組織の中でゆっくりと配向性を有するようになり、ナノ粒子間の相互作用により規則的な構造を形成したメソ結晶体となる。さらに、このメソ結晶体を徐々に乾燥させることでメソ結晶体がさらに構造化した超結晶(supracrystal)となり、複雑な階層化アーキテクチャが形成されることを明らかにした。
Zhang, W. Q.*; 山口 敏男*; Fang, C. H.*; 吉田 亨次*; Zhou, Y. Q.*; Zhu, F. Y.*; 町田 真一*; 服部 高典; Li, W.*
Journal of Molecular Liquids, 348, p.118080_1 - 118080_11, 2022/02
被引用回数：2 パーセンタイル：16.89(Chemistry, Physical)3mol/kgのRbCl水溶液におけるイオンの水和・会合と水素結合した水の構造を、298K/0.1MPa, 298K/1GPa, 523K/1GPa, 523K/4GPaにおける中性子回折と経験的ポテンシャル構造精密化モデリングにより調べた。その結果、構造パラメータは温度と圧力に依存していることがわかった。高圧・高温条件では、Rb
とCl
の第二水和層がより明確になる。第一水和層におけるRbの平均酸素配位数は、配位距離を0.290nmから0.288nmに縮めながら、常圧では6.3だったのが、4GPaでは8.9に増加した。第一水和シェルのClの平均酸素配位数は、常圧で5.9、4GPaで9.1と圧力により増加し、対応する配位距離は0.322nmから0.314nmへと減少した。Rbと中心の水分子の第一溶媒和シェルにおける水双極子の配向は圧力に敏感であるが、Clの第一溶媒和シェルにおける水双極子の配向は温度圧力によらずあまり変化しなかった。Rb-Clの隣接イオンペアの数は、温度が高くなると減少し、圧力が高くなると増加する。水分子は密に詰まっており、極限状態では水分子の四面体水素結合ネットワークはもはや存在しない。
熊谷 知久*; 三浦 靖史*; 三浦 直樹*; Marie, S.*; Almahdi, R.*; 真野 晃宏; Li, Y.; 勝山 仁哉; 和田 義孝*; Hwang, J.-H.*; et al.
Journal of Pressure Vessel Technology, 144(1), p.011509_1 - 011509_18, 2022/02
被引用回数：1 パーセンタイル：9.78(Engineering, Mechanical)延性材料の破壊挙動を予測するため、いくつかの延性破壊シミュレーション手法が提案されている。ただし、これらの手法には実機器への適用性に関する懸念がある。本研究では、パラメータの決定を含めたシミュレーション手法の予測能力を確認するため、実機器を想定した破壊試験に関する2つの問題を設定し、ベンチマーク解析を実施した。1つ目の問題は、周方向の表面亀裂及び貫通亀裂を有する配管に対する単調曲げ荷重負荷試験、2つ目の問題は、周方向貫通亀裂を有する配管に対する繰り返し曲げ荷重負荷試験である。ベンチマークの参加機関は、独自に選択した手法によって延性亀裂進展挙動を予測した。用いられた手法は、ボイド率基準を有するGurson-Tvergaard-Needleman(GTN)モデルに基づく有限要素法(FEM)、応力三軸度により修正される破壊ひずみ基準また破壊エネルギー基準に基づくFEM、Jまたは
J基準に基づく拡張FEM及び弾塑性粒子法等である。単調曲げ荷重負荷試験に関しては、すべての手法によるシミュレーションの結果が配管の変形と亀裂進展の挙動を精度よく再現し、シミュレーション手法の実機器への適用性が確認された。一方、繰り返し曲げ荷重負荷試験におけるこれらの挙動については、ほとんどの手法で再現できなかった。今後材料の繰り返し硬化特性等を考慮したパラメータの決定手法についてさらなる検討が必要であることを確認した。
