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Zhu, L.*; Dong, W.*; Naeem, M.*; Kong, H.*; Hu, C.*; Fan, Z.*; Gong, W.; Harjo, S.; Lan, S.*; Wu, Y.*; et al.
Acta Materialia, 303, p.121734_1 - 121734_10, 2026/01
被引用回数：1 パーセンタイル：40.12(Materials Science, Multidisciplinary)Body-centered cubic (BCC) metals typically exhibit high yield strength but limited work hardening and uniform elongation, especially at low temperatures. High-entropy alloys (HEAs) offer opportunities to overcome these limitations, though their deformation mechanisms remain unclear. Using in situ neutron diffraction and microstructural analysis, this study identifies the origin of the exceptionally large uniform elongation at liquid nitrogen temperature in a single-phase BCC (TiZrHf)
Al
Nb
HEA. Initial plastic deformation is governed by a BCC-to-orthorhombic (
") transformation, followed by " twinning and deformation-induced amorphization at later stages. The cooperation of these mechanisms suppresses work softening from dislocation plasticity, enabling high yield strength with large uniform elongation and providing a viable strategy for designing cryogenic structural materials.
Jeong, S. G.*; Kwon, J.*; Kim, E. S.*; Prasad, K.*; Harjo, S.; Gong, W.; 川崎 卓郎; Estrin, Y.*; Bouaziz, O.*; Hong, S. I.*; et al.
Materials Science & Engineering A, 942, p.148712_1 - 148712_11, 2025/10
被引用回数：1 パーセンタイル：40.12(Nanoscience & Nanotechnology)The cellular structure plays a key role in determining the mechanical properties of metal additive manufacturing (MAM) components. This study presents in situ neutron diffraction and dislocation density-based modeling for a CoCrFeMnNi high-entropy alloy (HEA) made via directed energy deposition (DED). A constitutive model based on the Kocks-Mecking-Estrin framework was used to represent the cellular structure. Parametric analysis showed lower dislocation accumulation and annihilation rates in the as-built sample (with cellular structure) than in the heat-treated one. These differences are linked to dislocation forest networks and local stacking fault energy variations. Dislocation density across cell interiors and walls was also compared with deformation-induced dislocation cells.
MnCoNiCu)VO
山本 孟*; 辻 卓也; 松村 大樹; 他16名*
Inorganic Chemistry, 64(34), p.17496 - 17502, 2025/08
被引用回数：0 パーセンタイル：0.00(Chemistry, Inorganic & Nuclear)V-V dimerization in ilmenite-type vanadium oxides is an intriguing phenomenon that induces structural and metal-to-insulator transitions. Herein, we report the high-pressure synthesis, crystal structure, and electronic states of high-entropy ilmenite-type (MgMnCoNiCu)VO. Although all the parent ilmenite-type compounds exhibit triclinic (
) symmetry, this compound crystallizes in a rhombohedral (
) structure, indicating the absence of V-V dimer ordering. The temperature dependence of the resistivity below room temperature follows a variable-range hopping conduction mechanism, suggesting the presence of short-range V-V dimer ordering. Magnetic susceptibility and heat capacity measurements revealed multi-step spin-glass transitions. This study demonstrates that a high-entropy composition hinders electronic and magnetic long-range ordering due to severe lattice distortions and competition between magnetic exchange interactions.
ders band-assisted high uniform ductility in ultrastrong ferrous medium-entropy alloy via hierarchical microstructureKwon, H.*; Lee, J. H.*; Zargaran, A.*; Harjo, S.; Gong, W.; Wang, J.*; Gu, G. H.*; Lee, B.-J.*; Bae, J. W.*; Kim, H. S.*
International Journal of Plasticity, 190, p.104378_1 - 104378_18, 2025/07
被引用回数：9 パーセンタイル：95.80(Engineering, Mechanical)In this work, we harness a hierarchical microstructure to simultaneously tailor strengthening and deformation mechanisms in a Co
Cr
Fe
Ni
Mo
(at%) ferrous medium-entropy alloy (MEA). A simple thermomechanical process (cold rolling and 90 s annealing) produces ultrafine recrystallized grains, non-recrystallized grains with substructures, and intragranular nanoprecipitates. This structure, with high dislocation density and fine grains, yields a high strength of 
1.60 GPa but can risk premature fracture. To overcome this, Lders deformation, enabled by ultrafine grain boundaries and stress-induced martensitic transformation at pre-existing nucleation sites, is employed. Stable Lders band propagation delays strain hardening and enables large uniform ductility. As a result, a tensile strength of 1.84 GPa and uniform elongation of 20% are achieved, matching the best tensile properties among reported multi-principal element alloys.
neutron diffractionNaeem, M.*; Ma, Y.*; Knowles, A. J.*; Gong, W.; Harjo, S.; Wang, X.-L.*; Romero Resendiz, L.*; 他6名*
Materials Science & Engineering A, 916, p.147374_1 - 147374_8, 2024/11
被引用回数：5 パーセンタイル：53.53(Nanoscience & Nanotechnology)Heterostructured materials (HSMs) improve the strength-ductility trade-off of alloys, but their cryogenic performance under real-time deformation is unclear. We studied heterostructured CrCoNi medium-entropy alloy via neutron diffraction at 77 K and 293 K. A significant mechanical mismatch between fine and coarse grains led to an exceptional yield strength of 918 MPa at 293 K, increasing to 1244 MPa at 77 K with a uniform elongation of 34%. This strength-ductility synergy at 77 K is attributed to high dislocation pile-up density, increased planar faults, and martensitic transformation. Compared to homogeneous alloys, HSMs show promise for enhancing cryogenic mechanical performance in medium-/high-entropy alloys.
丸山 修平; 山本 章夫*; 遠藤 知弘*
Annals of Nuclear Energy, 205, p.110591_1 - 110591_13, 2024/09
被引用回数：2 パーセンタイル：44.79(Nuclear Science & Technology)This study developed a new method for evaluating the uncertainty in reactor core/shielding characteristics attributable to the scattering angle distribution, employing a random sampling (RS) technique integrated with continuous energy Monte Carlo (CEMC) calculations. The impact of neutron scattering angle is not negligible in the analysis of fast reactor cores and shielding. Recent advancements have enabled the high-accuracy assessment of nuclear data-induced uncertainty by merging CEMC calculations and the RS technique. Nonetheless, a method to quantify uncertainty due to scattering angle distribution remains unestablished. This study introduces a new approach for uncertainty quantification related to scattering angle distribution in CEMC-RS, utilizing the maximum entropy method. The effectiveness of this method was verified through comparison with results from the classical deterministic uncertainty quantification approach based on generalized perturbation theory. Overall, this method offers a more accurate tool for nuclear engineers and researchers in evaluating and managing uncertainties in reactor design and safety analysis.
Zhu, L.*; He, H.*; Naeem, M.*; Sun, X.*; Qi, J.*; Liu, P.*; Harjo, S.; 中島 健次; Li, B.*; Wang, X.-L.*
Physical Review Letters, 133(12), p.126701_1 - 126701_6, 2024/09
被引用回数：8 パーセンタイル：79.90(Physics, Multidisciplinary)It has long been suspected that magnetism could play a vital role in the phase stability of multi- component high-entropy alloys. However, the nature of the magnetic order, if any, has remained elusive. Here, by using elastic and inelastic neutron scattering, we demonstrate evidence of antiferromagnetic order below 80 K and strong spin fluctuations persisting to room temperature in a single-phase face-centered cubic (fcc) CrMnFeCoNi high-entropy alloy. Despite the chemical complexity, the magnetic structure in CrMnFeCoNi can be described as 
-Mn-like, with the magnetic moments confined in alternating (001) planes and pointing toward the 
111
direction. Combined with first-principles calculation results, it is shown that the antiferromagnetic order and spin fluctuations help stabilized the fcc phase in CrMnFeCoNi high-entropy alloy.
Ying, H.*; Yang, X.*; He, H.*; Yan, A.*; An, K.*; Ke, Y.*; Wu, Z.*; Tang, S.*; Zhang, Z.*; Dong, H.*; et al.
Scripta Materialia, 250, p.116181_1 - 116181_7, 2024/09
被引用回数：12 パーセンタイル：83.58(Nanoscience & Nanotechnology)Nanoscale chemical fluctuations and their effect on the deformation behavior of CrFeCoNi-based high-entropy alloys (HEAs) were investigated using small-angle scattering and in situ neutron diffraction measurements. Small-angle scattering results demonstrated the presence of nano (
10 nm) chemical fluctuations in the as-prepared CrFeCoNiPd HEAs, which was attributed to the negative mixing of enthalpy and the significant atomic radius difference between Pd and the constituent elements in the CrFeCoNi-based alloys. Subsequent tensile tests demonstrated that the yield and tensile strengths of the as-prepared CrFeCoNiPd HEA surpass those of the as-prepared CrMnFeCoNi HEA. Neutron diffraction data analysis revealed an anomalous response of dislocation evolution with the strain.
neutron diffractionZhou, Y.*; Song, W.*; Zhang, F.*; Wu, Y.*; Lei, Z.*; Jiao, M.*; Zhang, X.*; Dong, J.*; Zhang, Y.*; Yang, M.*; et al.
Journal of Alloys and Compounds, 971, p.172635_1 - 172635_7, 2024/01
被引用回数：4 パーセンタイル：28.80(Chemistry, Physical)The grain orientation-dependent lattice strain evolution of a (TiZrHfNb)
refractory high-entropy alloy (HEA) during tensile loading has been investigated using neutron diffraction. The equivalent strain-hardening rate of each of the primary 
-oriented grain families was found to be relatively low, manifesting the macroscopically weak work-hardening ability of such a body-centered cubic (BCC)-structured HEA. This finding is indicative of a dislocation planar slip mode that is confined in a few single-slip planes and leads to in-plane softening by high pile-up stresses.
Harjo, S.
日本結晶学会誌, 65(3), p.178 - 182, 2023/08
Observations of deformation behavior of high entropy alloys using neutron diffraction measurements during deformation at various temperatures are reviewed. Neutrons are used to investigate stresses and crystallographic microstructures inside engineering materials, taking advantage of their large penetrating power and the ability to see the arrangement of atoms by diffraction methods. The important structural details of high entropy alloys such as internal stresses, phase conditions, dislocations, texture etc. are discussed in relation to the deformation conditions. Some highlights are introduced: (a) Cooperative deformation in CrMnFeCoNi alloy at ultralow temperatures, (b) Stacking fault energies in CrFeCoNi and CrCoNi alloys, and (c) Load redistribution in eutectic high entropy alloy AlCoCrFeNi
during high temperature deformation.
Kwon, H.*; Sathiyamoorthi, P.*; Gangaraju, M. K.*; Zargaran, A.*; Wang, J.*; Heo, Y.-U.*; Harjo, S.; Gong, W.; Lee, B.-J.*; Kim, H. S.*
Acta Materialia, 248, p.118810_1 - 118810_12, 2023/04
被引用回数：66 パーセンタイル：99.04(Materials Science, Multidisciplinary)Maraging steels, known for ultrahigh strength and good fracture toughness, derive their superior properties from lath martensite structure with high-density nanoprecipitates. In this work, we designed a novel Fe-based medium-entropy alloy with a chemical composition of Fe
Co
Ni
Mo
in atomic% by utilizing the characteristics of the maraging steels. By a single-step aging of only 10 min at 650 
C, the alloy showed microstructures consisting of a very high number density of (Fe, Co, Ni)
Mo
-type nanoprecipitates in lath martensite structure and reverted FCC phase, which led to ultrahigh yield strength higher than 2 GPa. This work demonstrates a novel direction to produce strong and ductile materials by expanding the horizons of material design with the aid of high-entropy concept and overcoming the limits of conventional materials.
Lam, T.-N.*; Chin, H.-H.*; Zhang, X.*; Feng, R.*; Wang, H.*; Chiang, C.-Y.*; Lee, S. Y.*; 川崎 卓郎; Harjo, S.; Liaw, P. K.*; et al.
Acta Materialia, 245, p.118585_1 - 118585_9, 2023/02
被引用回数：36 パーセンタイル：91.01(Materials Science, Multidisciplinary)The present study investigates the crystallographic-texture effects on the improved fatigue resistance in the CoCrFeMnNi high-entropy alloys (HEAs) with the full-size geometry of the ASTM Standards E647-99. We exploited X-ray nano-diffraction mapping to characterize the crystal-deformation levels ahead of the crack tip after stress unloading under both constant- and tensile overloaded-fatigue conditions. The crack-tip blunting-induced much higher deformation level was concentrated surrounding the crack-tip which delays the fatigue-crack growth immediately after a tensile overload. The predominant deformation texture orientation in the Paris regime was investigated, using electron backscatter diffraction and orientation distribution function analyses. The twinning formation-driven shear deformation gave rise to the development of the Goss-type texture within the plastic deformation regime under a tensile-overloaded-fatigue condition, which was attributed to enhance the crack deflection and thus the tensile induced crack-growth-retardation period in the CoCrFeMnNi HEA.
Lobzenko, I.; 都留 智仁; 他2名*
Computational Materials Science, 219, p.112010_1 - 112010_9, 2023/02
被引用回数：7 パーセンタイル：43.44(Materials Science, Multidisciplinary)To elucidate the origin of excellent mechanical properties of high-entropy alloys (HEA), it is essential to develop the atomic-level depiction of defect structures considering the effects of the constituent elements. While classical molecular dynamics have been one of the most effective tools for understanding the defect structures from the atomic level, there is still a problem with the accuracy of the inter-atomic potential of complicated alloy systems such as HEA. A new technique for building such potentials based on machine learning was recently developed. We employed the technique and constructed highly accurate potentials with good robustness for two BCC medium-entropy alloys: MoNbTa and ZrNbTa. Atomic simulation based on the new potentials indicate significant differences in the fundamental mechanical properties of two alloys, depending on the constituent elements, that dominate deformation behavior.
CoNiAl
TiMo medium-entropy alloy; In situ neutron diffraction analysisKwon, H.*; Harjo, S.; 川崎 卓郎; Gong, W.; Jeong, S. G.*; Kim, E. S.*; Sathiyamoorthi, P.*; 加藤 秀実*; Kim, H. S.*
Science and Technology of Advanced Materials, 23(1), p.579 - 586, 2022/00
被引用回数：18 パーセンタイル：68.25(Materials Science, Multidisciplinary)Metastability engineering is a strategy to enhance the strength and ductility of alloys via deliberately lowering phase stability and prompting deformation-induced martensitic transformation. In this work, the martensitic transformation and its effect on the mechanical response of a FeCoNiAlTiMo medium-entropy alloy (MEA) were studied by in situ neutron diffraction under tensile loading. This work shows how great a role FCC to BCC martensitic transformation can play in enhancing the mechanical properties of ferrous MEAs.
Naeem, M.*; He, H.*; Zhang, F.*; Huang, H.*; Harjo, S.; 川崎 卓郎; Wang, B.*; Lan, S.*; Wu, Z.*; Wang, F.*; et al.
Science Advances (Internet), 6(13), p.eaax4002_1 - eaax4002_8, 2020/03
被引用回数：290 パーセンタイル：99.45(Multidisciplinary Sciences)High-entropy alloys exhibit exceptional mechanical properties at cryogenic temperatures, due to the activation of twinning in addition to dislocation slip. The coexistence of multiple deformation pathways raises an important question regarding how individual deformation mechanisms compete or synergize during plastic deformation. Using in situ neutron diffraction, we demonstrate the interaction of a rich variety of deformation mechanisms in high-entropy alloys at 15 K, which began with dislocation slip, followed by stacking faults and twinning, before transitioning to inhomogeneous deformation by serrations. Quantitative analysis showed that the cooperation of these different deformation mechanisms led to extreme work hardening. The low stacking fault energy plus the stable face-centered cubic structure at ultralow temperatures, enabled by the high-entropy alloying, played a pivotal role bridging dislocation slip and serration.
neutron diffraction study of phase stress evolution in a ferrous medium-entropy alloy under low-temperature tensile loadingBae, J. W.*; Kim, J. G.*; Park, J. M.*; Woo, W.*; Harjo, S.; Kim, H. S.*
Scripta Materialia, 165, p.60 - 63, 2019/05
被引用回数：47 パーセンタイル：87.59(Nanoscience & Nanotechnology)Phase stress evolution of face-centered cubic (FCC) and deformation-induced body-centered cubic (BCC) phases was measured in recently developed ferrous medium-entropy alloy. This was done during tensile deformation at -137C using neutron diffraction measurement for the quantitative interpretation of the role of martensitic transformation on the improved low-temperature tensile properties. The strain-hardening rate curve exhibits two-stage hardening behavior, and the phase stress and stress contribution from the BCC phase increases significantly while that from FCC phase decreases during plastic deformation. This is a direct demonstration that BCC phase contributes significantly to the increase in strength and strain hardening.
Ce
O
for electrolyte by Rietveld/ maximum entropy method田口 富嗣; 井川 直樹; 美留町 厚; 朝岡 秀人; 三輪 周平; 逢坂 正彦
e-Journal of Surface Science and Nanotechnology (Internet), 13, p.339 - 342, 2015/06
希土類元素を添加したセリアはイオン伝導および電子伝導を有するが、電子伝導に対してイオン伝導の割合が高いセリアは燃料電池用固体電極材として利用される。本研究では、Nd
O
を添加したセリアについて、電子伝導を低く抑えるために重要な結晶中の電子伝導経路を特定するため、X線回折実験を実施し、Rietveld解析および最大エントロピー法解析を行った。本材料の結晶構造は基本的に無添加材と同じ構造を有し、CeとNdはランダムに4
サイトを占有し、酸素は8
サイトを占有する。また、4-8と8-8サイト間に電子の伝導経路が観察された。発表ではこれら結晶構造と電子伝導経路のNd添加量依存性についても議論する予定である。
野村 幹弘; 笠原 清司; 小貫 薫
JAERI-Research 2002-039, 24 Pages, 2003/01
JAERI-Research-2002-039.pdf:1.01MB
水素製造ISプロセスの熱効率を熱力学的視点で評価した。ISプロセスに限らず、熱を用いて水素を製造するプロセスの熱効率の上限はカルノー効率で得られる仕事量で制限されることを示した。高温熱源温度を1123K,熱源への返却温度733Kとすると、熱効率の上限は81.3%である。さらに、ISプロセスの最大熱効率を各反応,分離操作のG-T線図を書くことにより評価した。分離仕事を考慮しない場合のISプロセスの最大熱効率は78.2%となる。実際は、硫酸の濃縮操作及びHI水溶液の濃縮操作は温度によらずギブスエネルギーが常に正なので、仕事を投入する必要がある。分離操作は熱効率に大きな影響を与え、分離操作の有無により熱効率が53.5%から76.6%と23.1%変化した。また、正確な評価には精度ある熱力学データーが重要であり、今回の評価でブンゼン反応におけるヨウ素の添加の影響を調べる必要があることがわかった。
藤野 威男*; 佐藤 修彰*; 山田 耕太*; 岡崎 学*; 福田 幸朔; 芹澤 弘幸; 白鳥 徹雄*
Journal of Nuclear Materials, 289(3), p.270 - 280, 2001/03
被引用回数：2 パーセンタイル：18.97(Materials Science, Multidisciplinary)(Mg, Gd, U)O
固溶体の酸素ポテンシャルを1000~1250
の温度領域において、O/M比の関数として求めた。酸素ポテンシャルが急変するO/Mの値は、固溶体中のMg量の増加とともに低下した。一方、平衡する酸素分圧が低下すると、固溶体中のMg原子の一部が、格子間位置にシフトすることが、密度測定から明らかになった。Mgの固溶限は、平衡する酸素分圧に対して複雑な挙動を示した。
by solid state EMF technique中村 彰夫; 藤野 威男
J. Nucl. Mater., 149(1), p.80 - 100, 1987/01
被引用回数：44 パーセンタイル：95.23(Materials Science, Multidisciplinary)固相電池法により、UOの中の酸素の部分のモル自由エネルギー、エンタルピー、エントロピー:g(O),h(O),s(O)を、0.0030≦x≦0.24、500≦T≦1100Cに於て正確に決定した。二種類のUOについての約40個の起電力-T(C)プロットを統計的に処理することにより、0.0030≦x≦0.25、500≦T≦1400Cに於るUO+の組成xとg(O),h(O)及びs(O)との間の関係が、温度に依存しない酸素部分モル比熱Cp(O)、エンタルピーho、及びエントロピーSo、パラメータを用いる事により、十分の精度で解析的に表現出来ることを明らかとした。又、先に著者らの提案したx≦0.020領域に於るUOの点欠陥モデルの本実験結果に基づく改良、精緻化についても広く議論を行なった。
