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neutron diffraction study山下 享介*; 古賀 紀光*; Mao, W.*; Gong, W.; 川崎 卓郎; Harjo, S.; 藤井 英俊*; 梅澤 修*
Materials Science and Engineering A, 941, p.148602_1 - 148602_11, 2025/09
被引用回数：0Ferrite-austenite duplex stainless steels offer excellent strength and ductility, making them suitable for extreme environments. In this study, 
neutron diffraction during tensile testing at 293 K and 200 K was used to investigate stress partitioning and phase-specific deformation. Phase stress was calculated using a texture-compensated method. At both temperatures, ferrite showed higher phase stress than austenite, acting as the harder phase. At 200 K, both phases exhibited increased strength and work hardening. Austenite showed significant stacking fault formation alongside dislocation migration, while ferrite retained its dislocation-based deformation mode, becoming more effective. Stress contributions from both phases were comparable. No martensitic transformation occurred. Strengthening and enhanced work hardening in both phases led to high strength at 200 K, with ductility similar to that at 293 K.
Cao, T.*; Wei, D.*; Gong, W.; 川崎 卓郎; Harjo, S.; 他10名*
Materials Science and Engineering A, 940, p.148534_1 - 148534_16, 2025/09
The thermal stability of microstructure and mechanical performance is crucial for the industrial application of laser powder bed fusion (LPBF) superalloy components in gas turbines and jet engines. This work investigated the microstructural evolution and strengthening mechanism of LPBF Mar-M509 cobalt-based superalloy before and after thermal exposure at 1200 
C using multi-scale microstructural characterization and in situ neutron diffraction tensile testing. The as-built Mar-M509 superalloy exhibited a heterogeneous microstructural features with coarse columnar and fine equiaxed grains, both containing dendritic and cellular substructures enriched with nanoscale carbides and high-density dislocations. The ultra high strength of the as-built sample was primarily attributed to dislocation-precipitation synergistic strengthening. After thermal exposure at 1200 C for 4 h, the dendritic and cellular substructures disappeared and the dislocation density decreased significantly. This study reveals the microstructural evolution and instability of LPBF Mar-M509 superalloy under high-temperature exposure and the impacts on mechanical properties, which provides critical support for the development of cobalt-based superalloys in high-temperature application fields.
Gu, G. H.*; Jeong, S. G.*; Heo, Y.-U.*; Harjo, S.; Gong, W.; Cho, J.*; Kim, H. S.*; 他4名*
Journal of Materials Science & Technology, 223, p.308 - 324, 2025/07
被引用回数：0 パーセンタイル：0.00(Materials Science, Multidisciplinary)Face-centered cubic (FCC) equi-atomic multi-principal element alloys (MPEAs) exhibit excellent mechanical properties from cryogenic to room temperatures. At room temperature, deformation is dominated by dislocation slip, while at cryogenic temperatures (CTs), reduced stacking fault energy enhances strain hardening with twinning. This study uses in-situ neutron diffraction to analyze the temperature-dependent deformation behavior of Al
(CoNiV)
, a dual-phase (FCC/BCC) medium-entropy alloy (MEA). At liquid nitrogen temperature (LNT), deformation twinning in the FCC matrix leads to additional strain hardening through the dynamic Hall-Petch effect, giving the appearance of improved strengthening at LNT. In contrast, BCC precipitates show dislocation slip at both 77 K and 298 K, with temperature-dependent lattice friction stress playing a significant role in strengthening. The study enhances understanding of deformation behaviors and provides insights for future alloy design.
Mao, W.*; Gong, W.; 川崎 卓郎; Gao, S.*; 伊東 達矢; 山下 享介*; Harjo, S.; Zhao, L.*; Wang, Q.*
Scripta Materialia, 264, p.116726_1 - 116726_6, 2025/07
被引用回数：0 パーセンタイル：0.00(Nanoscience & Nanotechnology)An ultrafine-grained 304 austenitic stainless steel exhibited pronounced serrated Luders deformation at 20 K, with stress and temperature oscillations reaching 200 MPa and 20 K. 
neutron diffraction and digital image correlation revealed discontinuous Luders band propagation and burst martensite formation. During deformation, austenite phase stress remained lower than at upper yielding, indicating elastic behavior. Notably, martensite phase stress stayed lower than austenite until fracture, likely due to stress relaxation from burst martensitic transformation at 20 K. The low martensite stress delayed brittle fracture until austenite plastically yielded during uniform deformation.
Park, M.-H.*; 柴田 曉伸*; Harjo, S.; 辻 伸泰*
Acta Materialia, 292, p.121061_1 - 121061_13, 2025/06
被引用回数：1 パーセンタイル：84.88(Materials Science, Multidisciplinary)Dual-phase (DP) steel, composed of soft ferrite and hard martensite, offers excellent strength-ductility balance and low cost. This study found that refining the DP microstructure enhanced both yield strength and strain hardening, improving strength and ductility. Digital image correlation (DIC) revealed strain localization in ferrite, but refinement reduced strain differences between ferrite and martensite, suppressing crack initiation. More ferrite/martensite interfaces promoted plasticity in martensite via enhanced deformation constraint. neutron diffraction showed martensite bore higher phase stress, which increased with refinement. By combining 
-DIC and neutron data, individual stress-strain curves for ferrite and martensite were constructed for the first time, explaining the strength-ductility synergy through interphase constraint. These findings offer guidance for designing heterostructured materials to overcome the strength-ductility trade-off.
大橋 智典*; 坂巻 竜也*; 舟越 賢一*; Steinle-Neumann, G.*; 服部 高典; Yuan, L.*; 鈴木 昭夫*
Journal of Mineralogical and Petrological Sciences (Internet), 120(1), p.240926a_1 - 240926a_13, 2025/06
0-6GPa, 1000-1300Kのドライおよび含水Na
Si
O
融体の構造と高温高圧から回収したガラスの構造をその場中性子回折及びX線回折により調べた。また、0-10GPa, 3000Kの融体の構造をab-initio分子動力学シミュレーションにより調べた。その場中性子実験から、-O-D-O-架橋種の形成によりD-O距離が圧縮とともに増加することが明らかになり、分子動力学シミュレーションでも再現された。圧力による-O-D-O-形成は、水素がより強固に取り込まれることを反映しており、実験的に観測されたケイ酸塩融体中の水の高い溶解度のメカニズムとして働く。一方、0-10GPa, 3000KにおけるドライNaSiOの圧縮は、Si-O-Si角の曲げに支配される。さらに、含水NaSiO融体の分子動力学シミュレーションから、圧力上昇とともに、2(![$$^{[4]}$$](/search/images/ERPHWWZULV4SI.gif)
Si-O
+ Na
) 
Si-(O-![$$^{[5]}$$](/search/images/ERPHWWZVLV4SI.gif)
Si-O)
+ 2NaおよびSi-O + Na + Si-OH Si-(O-H-O-Si) + Naで示される反応により、ナトリウムイオンがネットワーク修飾の役割を果たさなくなることを示唆している。
町田 晃彦*; 齋藤 寛之*; 青木 勝敏*; 小松 一生*; 服部 高典; 佐野 亜沙美; 舟越 賢一*; 町田 真一*; 佐藤 豊人*; 折茂 慎一*
Physical Review B, 111(22), p.224413_1 - 224413_6, 2025/06
被引用回数：1Mn金属を高温高圧で水素化することにより形成される反強磁性Mn重水素化物、fcc
-MnDxとhcp
-MnDxの結晶構造と磁気構造をin-situ中性子粉末回折により調べた。重水素原子はfcc及びhcp金属格子の八面体格子間を部分的に占有していた。N
el温度は-MnD
で543(10)Kであった。-MnD
では、飽和磁気モーメントは0.82(1)
、Nel温度は347(3)Kであった。-MnDと-MnDについて決定されたNel温度は、以前の研究で提案されたそれぞれのSlater-Pauling曲線によって予測されたものと一致した。更新されたNel温度は、電子バンド構造計算に基づくより正確なSlater-Pauling曲線の開発に示唆を与える。
友田 陽*; Harjo, S.; 徐 平光; 諸岡 聡; Gong, W.; Wang, Y.*
Metals, 15(6), p.610_1 - 610_19, 2025/05
被引用回数：0Lattice parameters of product and matrix phases in steels have been measured using in situ X-ray and neutron diffraction during forward and reverse transformations. These parameters are influenced by temperature, transformation-induced internal stresses, alloying element partitioning, crystal defects, and magnetic strains. Disentangling these contributions is essential for understanding lattice behavior. This review explores internal strain (stress) associated with ferrite, pearlite, bainite, martensite, and reverse austenite transformations, emphasizing the distinction between diffusional and displacive mechanisms. It also examines how plastic deformation of austenite affects subsequent bainite or martensite formation. The roles of dislocations and vacancies are identified as critical areas for further research.
hydridosilicate at high pressures; A Bridge to BaSiH polyhydrideBeyer, D. C.*; Spektor, K.*; Vekilova, O. Y.*; Grins, J.*; Barros Brant Carvalho, P. H.*; Leinbach, L. J.*; Sannemo-Targama, M.*; Bhat, S.*; Baran, V.*; Etter, M.*; et al.
ACS Omega (Internet), 10(15), p.15029 - 15035, 2025/04
被引用回数：0 パーセンタイル：0.00(Chemistry, Multidisciplinary)SiH八面体部位を特徴とするヒドリドケイ酸塩は、水素貯蔵と水素化物イオン伝導に関連する潜在的な性質を持つかなり新しい化合物のクラスである。ここでは、Zintl相水素化物BaSiH
を4GPa以上の圧力でH
流体と反応させ、その後常圧まで減圧して得られた新しい代表的なBaSiHについて報告する。SiH
イオンはBa
対イオンによって八面体に配位している。Ba原子とSi原子の配置は理想的なfcc NaCl構造からわずかにずれている。IRとラマンスペクトルからSiHの屈曲と伸縮モードがそれぞれ800-1200と1400-1800cm
の範囲で観測された。BaSiHは95
Cまで熱的に安定であり、それ以上ではBaHとSiに分解する。DFT計算により、直接バンドギャップは2.5eVであることが示された。BaSiHの発見により、ギガパスカル圧力(10GPa以下)のシリサイドの水素化反応からアクセス可能なヒドリドケイ酸塩の化合物クラスが固まった。BaSiHの構造的性質は、超伝導ポリハイドライドBaSiHを予測されるより高い圧力で水素化するための中間体(あるいは前駆体)であることを示唆している。
neutron diffraction study伊東 達矢; 小川 祐平*; Gong, W.; Mao, W.*; 川崎 卓郎; 岡田 和歩*; 柴田 曉伸*; Harjo, S.
Acta Materialia, 287, p.120767_1 - 120767_16, 2025/04
被引用回数：1 パーセンタイル：0.00(Materials Science, Multidisciplinary)Incorporating solute hydrogen into Fe-Cr-Ni-based austenitic stainless steels enhances both strength and ductility, providing a promising solution to hydrogen embrittlement by causing solid-solution strengthening and assisting deformation twinning. However, its impacts on the relevant lattice defects evolution (
, dislocations, stacking faults, and twins) during deformation remains unclear. This study compared the tensile deformation behavior in an Fe-24Cr-19Ni (mass%) austenitic steel with 7600 atom ppm hydrogen-charged (H-charged) and without hydrogen-charged (non-charged) using neutron diffraction. Hydrogen effects on the lattice expansion, solid-solution strengthening, stacking fault probability, stacking fault energy, dislocation density, and strain/stress for twin evolution were quantitatively evaluated to link them with the macroscale mechanical properties. The H-charged sample showed improvements in yield stress, flow stress, and uniform elongation, consistent with earlier findings. However, solute hydrogen exhibited minimal influences on the evolution of dislocation and stacking fault. This fact contradicts the previous reports on hydrogen-enhanced dislocation and stacking fault evolutions, the latter of which can be responsible for the enhancement of twinning. The strain for twin evolution was smaller in the H-charged sample compared to the non-charged one. Nevertheless, when evaluated as the onset stress for twin evolution, there was minimal change between the two samples. These findings suggest that the increase in flow stress due to the solid-solution strengthening by hydrogen is a root cause of accelerated deformation twinning at a smaller strain, leading to an enhanced work-hardening rate and improved uniform elongation.
Wang, Y.*; Gong, W.; Harjo, S.; 他7名*
Acta Materialia, 288, p.120840_1 - 120840_14, 2025/04
被引用回数：3 パーセンタイル：84.88(Materials Science, Multidisciplinary)Low yield strength and the presence of Luders bands constitute principal impediments to the extensive applications of conventional medium Mn steels with a duplex microstructure of ferrite and austenite. Flash heating and the concept of chemical heterogeneity have been combined to engineer a duplex austenite-martensite microstructure in medium Mn steels, which has proven effective in augmenting the yield strength and mitigating the occurrence of Luders bands. However, the underlying mechanisms remain ambiguous. In the present work, the effect of austenite stability on yielding behavior was systematically investigated in an austenite-martensite duplex medium Mn steel. Austenite stability was identified as the critical factor governing yield strength, where reduced stability promotes early stage deformation induced martensite transformation, thereby decreasing yield strength. Diminished austenite stability may as well induce enhanced work hardening, thereby result in the inclination and eventual elimination of yield plateau, concomitant with the disappearance of Luders bands. These observations expand our current understanding of the yielding behavior in medium Mn steels and offer insights for the design of other advanced high strength steels.
Naeem, M.*; Rehman, A. U.*; Romero Resendiz, L.*; Salamci, E.*; Aydin, H.*; Ansari, P.*; Harjo, S.; Gong, W.; Wang, X.-L.*; 他3名*
Communications Materials (Internet), 6, p.65_1 - 65_13, 2025/04
The need for lightweight materials with mechanical integrity at ultralow temperatures drives the development of advanced alloys for cryogenic use. Additive manufacturing via laser powder bed fusion (LPBF) offers a scalable way to create alloys with tailored properties. Here, we show that LPBF-processed Al10SiMg exhibits a high ultimate tensile strength (395 MPa) and uniform elongation (25%) at 15 K. These enhancements stem from grain refinement, increased geometrically necessary dislocations, and stress partitioning between the Al matrix and the stiffer Si phase, aiding strain accommodation. neutron diffraction reveals that the Si phase, with its higher yield strength, bears most of the load, while the Al matrix undergoes continuous strain hardening, extending deformation capacity. These results highlight Al10SiMg's promise for cryogenic applications such as hydrogen storage, aerospace, and quantum computing hardware.
熊田 高之; 岩原 大輔*
Isotope News, (798), p.26 - 27, 2025/04
自動車用タイヤでは、シリカ微粒子をゴム材料中に添加することによりグリップ性能を損なうことなく燃費性能を改善させている。その鍵となるのが、シリカとゴムを結び付けるシランカップリング剤(SCA)である。SCAは脱水反応によってシリカと反応し、架橋や相互浸透によってゴム材料と結合する。ゴム材料と架橋できる適切な官能基を持たない長鎖アルキルSCAでは、ゴム材料との相互浸透が結合を支配する。我々は、スピンコントラスト変調中性子反射率法で、ブタジエンゴムとシリカの界面に生成したわずか2 nm厚のSCA層の膜厚と組成を決定できることを示した。
Pandian, K.*; Neikter, M.*; Ekh, M.*; Harjo, S.; 川崎 卓郎; Woracek, R.*; Hansson, T.*; Pederson, R.*
JOM, 77(4), p.1803 - 1815, 2025/04
被引用回数：0 パーセンタイル：0.00(Materials Science, Multidisciplinary)To produce dense Ti-6Al-4V components, electron beam powder bed fusion is typically followed by post-heat treatment like hot isostatic pressing (HIP). Standard HIP at 920C/100 MPa for 2 h coarsens the microstructure and reduces yield strength, while low-temp HIP at 800C/200 MPa for 2 h limits coarsening and retains strength comparable to as-built material. A coarser microstructure negatively affects tensile properties. Tensile tests at various temperatures suggest that thermally activated slip systems may influence elongation, requiring further study. In situ neutron time-of-flight diffraction during tensile loading enables analysis of strain evolution and slip plane activity. A two-phase elastic-plastic self-consistent model was used to compare with experiments. Results show basal slip {0002} activated at 20C, pyramidal slip {10-11} at 350C, and 
phase carrying higher stress than 
in the plastic regime.
Hu, F.-F.*; Qin, T.-Y.*; Ao, N.*; 徐 平光; Su, Y. H.; Parker, J. D.*; 篠原 武尚; 菖蒲 敬久; Kang, G.-Z.*; Ren, M.-M.; et al.
Journal of Traffic and Transportation Engineering, 25(2), p.75 - 93, 2025/04
To accurately predict the remaining lifetime of surface-strengthened railway axles, a damage tolerance method considering three-dimensional (3D) residual stresses was proposed. By taking the induction-hardened carbon steel S38C axle as an example, two-dimensional (2D) distribution characterization of residual strain and 3D residual stress measurement were performed through comprehensive application of the neutron Bragg-edge transmission imaging and angle-dispersive neutron diffraction experiments. A numerical method was employed to implant the 3D residual stress into the axle model, and the remaining lifetime of the full-scale axle was studied by coupling the measured load spectrum, press-fit loads, and residual stresses. Experimental results shows that, both axial and hoop directions present a compressive residual strain gradient layer of about 3 mm, with a maximum compressive residual strain of up to -4500 
in the surface layer, yet a maximum tensile strain of up to 1000 in the core. The maximum axial and hoop compressive stresses of the axle are about -500 MPa and -303 MPa respectively, while radial stresses overall fluctuate in the zero mean stress range. At depths beyond 4.5 mm from the surface layer, all three components are tensile stresses. The axle surface layer is subjected to compressive residual stresses, and crack propagation does not occur if the crack depth is less than 4.5 mm. Nevertheless, cracks propagate accelerates when the crack depth is greater than 4.5 mm. Different crack propagation depth thresholds lead to a larger calculated remaining lifetime for the residual stress-free condition than for the case where 3D residual stresses are taken into account. However, the axle remaining service mileage of the axle of 227000 Km under the most conservative conditions exceeds 3.5 non-destructive inspection (NDI) cycles, with a large safety margin. The experimental results can provide a scientific reference for the development and optimization of NDI cycles for surface-strengthened railway axles.
Li, F.*; Tang, X.*; Fei, Y.*; Zhang, J.*; Liu, J.*; Lang, P.*; Che, G.*; Zhao, Z.*; Zheng, Y.*; Fang, Y.*; et al.
Journal of the American Chemical Society, 147(17), p.14054 - 14059, 2025/04
被引用回数：1 パーセンタイル：0.00(Chemistry, Multidisciplinary)2,2'-ビピラジン(BPZ)の圧力誘起重合により結晶性グラファンナノリボン(GANR)を合成した。中性子回折データのリートベルト精密化,核磁気共鳴スペクトル,赤外スペクトル,理論計算を行った結果、BPZは
積層した芳香環の間でディールス・アルダー重合し、並外れた長距離秩序を持つ伸びたボート型GANR構造を形成することがわかった。未反応の-C=N-基がボートの両端を橋渡ししており、さらなる機能化の余地がある。このGANRのバンドギャップは2.25eVであり、光電応答は良好である(I
/I
=18.8)。われわれの研究は、高圧トポケミカル重合法が、特定の構造と望んだ特性を持つグラファンの精密な合成に有望な方法であることを強調している。
山内 宏樹; 目時 直人; 綿貫 竜太*; Hong, T.*; Fernandez-Baca, J. A.*; 萩原 雅人; 益田 隆嗣*; 吉沢 英樹*; 伊藤 晋一*
Journal of the Physical Society of Japan, 94(5), p.054705_1 - 054705_8, 2025/04
The 
-electron states of NdB were determined by observing crystalline electric field (CEF) excitations with inelastic neutron scattering experiments. Our analysis yields CEF excitation energies of 2.8, 12.4, 17.2, and 25.4 meV. The -electron states are simply described by one of 
-multiplets 
with negligibly small mixing. The ground state is the pseudo-quartet consist of the ground doublet dominated by 
and the first excited doublet dominated by 
at 2.8 meV, which is consistent with magnetic specific heat and entropy reported in earlier study. The simple -electron states in NdB are the consequence of the strong uniaxial and in-plane isotropic CEF potential due to the local structure of Nd
ions with point symmetry 
.
Thennakoon, A.*; 横倉 涼雅*; Yang, Y.*; 梶本 亮一; 中村 充孝; 林 真弘*; 道岡 千城*; Chern, G.-W.*; Broholm, C.*; 植田 浩明*; et al.
Nature Communications (Internet), 16, p.3939_1 - 3939_13, 2025/04
被引用回数：0 パーセンタイル：0.00(Multidisciplinary Sciences)The pursuit of quantum spin liquid (QSL) states in condensed matter physics has drawn attention to kagome antiferromagnets (AFM) where a two-dimensional corner-sharing network of triangles frustrates conventional magnetic orders. While quantum kagome AFMs based on Cu (
, 
) ions have been extensively studied, there is so far little work beyond copper-based systems. Here we present our bulk magnetization, specific heat and neutron scattering studies on single crystals of a new titanium fluorides Cs
RbK
Ti
F
where Ti (
, ) ions form a modulated quantum kagome antiferromagnet that does not order magnetically down to 1.5 K. Our comprehensive map of the dynamic response function 
acquired at 1.5 K where the heat capacity is 
-linear reveals a dispersive continuum emanating from soft lines that extend along (100). The data indicate fractionalized spinon-like excitations with quasi-one-dimensional dispersion within a quasi two-dimensional spin system.
under hydrostatic pressure; A Combined neutron, X-ray, Raman, and first-principles calculation studyEfthimiopoulos, I.*; Klotz, S.*; Kunc, K.*; Baptiste, B.*; Chauvigne, P.*; 服部 高典
Physical Review B, 111(13), p.134103_1 - 134103_13, 2025/04
被引用回数：0 パーセンタイル：0.00(Materials Science, Multidisciplinary)X線回折、中性子回折、ラマン散乱、第一原理計算を用いて、ReOの高圧力下での挙動を15GPaまで包括的に調べた。常圧
=3
構造は0.7GPaで空間群
=3の立方晶相に連続的に相転移し、その後少なくとも15GPaまで安定であることがわかった。過去この圧力領域で報告されていた単斜晶
構造や菱面体晶
=3
構造への転移は、試料に高輝度放射光X線を照射したことによる試料の劣化によるものであり、人工的なものであることが分かった。また今回、=3相の構造の圧力依存性と正確な状態方程式および天然試料と同位体濃縮
O試料のラマン散乱データを示した。このデータから、リジッドなReO八面体が圧力とともに回転することによって、相転移および高密度化が起こることが分かった。
GeTe to hydrostatic pressureWang, Y.*; Zeng, X.-T.*; Li, B.*; Su, C.*; 服部 高典; Sheng, X.-L.*; Jin, W.*
Chinese Physics B, 34(4), p.046203_1 - 046203_6, 2025/03
被引用回数：0 パーセンタイル：0.00(Physics, Multidisciplinary)二次元ファンデルワールス強磁性体FeGeTe(FGT)は、その高いキュリー温度、容易な調整性、空気中での優れた構造安定性から、スピントロニクスデバイスへの応用に大きな可能性を秘めている。理論的研究により、外部パラメータとしての圧力が強磁性特性に大きく影響することが示されている。本研究では、5GPaまでの高圧中性子粉末回折(NPD)実験を行い、FGTの静水圧による構造及び磁気特性の変化を調べた。NPDデータは、静水圧による見かけ上の抑制にもかかわらず、FGTにおける強磁性の頑健性を明らかにした。圧力が0から5GPaまで増加すると、キュリー温度は225(5)Kから175(5)Kまで単調減少し、Feの秩序モーメントが劇的に抑制されることがわかった。圧力による構造相転移は5GPaまで観測されなかったが、結合長と結合角の変化を定量的に解析した結果、交換相互作用が大きく変化していることがわかった。
