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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.
Rajeev, H. S.*; Hu, X.*; Chen, W.-L.*; Zhang, D.*; Chen, T.*; 古府 麻衣子*; 梶本 亮一; 中村 充孝; Chen, A. Z.*; Johnson, G. C.*; et al.
Journal of the Physical Society of Japan, 94(3), p.034602_1 - 034602_14, 2025/03
被引用回数：0 パーセンタイル：0.00(Physics, Multidisciplinary)Two-dimensional hybrid organic-inorganic perovskites (HOIPs) have emerged as promising materials for light-emitting diode applications. In this study, by using time-of-flight neutron spectroscopy we identified and quantitatively separated the lattice vibrational and molecular rotational dynamics of two perovskites, butylammonium lead iodide (BA)
PbI
and phenethyl-ammonium lead iodide (PEA)PbI. By examining the corresponding temperature dependence, we found that the lattice vibrations, as evidenced by neutron spectra, are consistent with the lattice dynamics obtained from Raman scattering. We revealed that the rotational dynamics of organic molecules in these materials tend to suppress their photoluminescence quantum yield (PLQY) while the vibrational dynamics did not show predominant correlations with the same. Additionally, we observed photoluminescence emission peak splitting for both systems, which becomes prominent above certain critical temperatures where the suppression of PLQY begins. This study suggests that the rotational motions of polarized molecules may lead to a reduction in exciton binding energy or the breaking of degeneracy in exciton binding energy levels, enhancing non-radiative recombination rates, and consequently reducing photoluminescence yield. These findings offer a deeper understanding of fundamental interactions in 2D HOIPs and could guide the design of more efficient light-emitting materials for advanced technological applications.
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：12 パーセンタイル：91.22(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.
Zhu, M.*; Romerio, V.*; Steiger, N.*; Nabi, S. D.*; 村井 直樹; 河村 聖子; Povarov, K. Y.*; Skourski, Y.*; Sibille, R.*; Keller, L.*; et al.
Physical Review Letters, 133(18), p.186704_1 - 186704_6, 2024/11
被引用回数：7 パーセンタイル：88.92(Physics, Multidisciplinary)Magnetic, thermodynamic, neutron diffraction and inelastic neutron scattering are used to study spin correlations in the easy-axis XXZ triangular lattice magnet KCo(SeO
). Despite the presence of quasi-2D supersolid magnetic order, the low-energy excitation spectrum contains no sharp modes and is instead a broad and structured multiparticle continuum. Applying a weak magnetic field drives the system into an m = 1/3 fractional magnetization plateau phase and restores sharp spin wave modes. To some extent, the behavior at zero field can be understood in terms of spin wave decay. However, the presence of clear excitation minima at the M points of the Brillouin zone suggest that the spinon language may provide a more adequate description, and signals a possible proximity to a Dirac spin liquid state.
-
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：9 パーセンタイル：88.46(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。
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：1 パーセンタイル：41.92(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.
Hu, F. F.*; Qin, T. Y.*; Ao, N.*; Su, Y. H.; Zhou, L.*; 徐 平光; Parker, J. D.*; 篠原 武尚; Chen, J.*; Wu, S. C.*
Engineering Fracture Mechanics, 306, p.110267_1 - 110267_18, 2024/08
被引用回数：2 パーセンタイル：60.53(Mechanics)Non-destructive and quantitative mapping of gradient residual strain distribution in surface-hardened railway S38C axles could provide a positive reference for determining service lifetime and maintenance strategy. To tackle this concern, time-of-flight neutron Bragg-edge transmission imaging was employed by real axle samples with and without impacted crater. A novel and simple procedure to formulate the residual strain field was also developed in this work, with the transmission batch code in Appendix A. By mapping the global two- dimensional residual strains, it can be verified that the residual strains into the axle are uniformly distributed in the hoop direction. Subsequently, it was revealed that the axial and hoop residual strains, respectively in the cylinder and the long strip samples prepared from a real S38C hollow axle, indicated a gradient evolution distribution with a depth of 8 mm, covering a range of -5500 1000 for axial strains and -6500 1000 for hoop strains. More importantly, the maximum compressive lattice strain of the cylinder sample was increased by 15.61%, and 22.35% at the impacting speeds of 100, and 125 m/s, respectively; and that of the long strip sample increased by 29.17%, and 43.70%, respectively. It can thus be concluded that lattice strains have redistributed around the impact crater, demonstrating the local alteration of the residual strain field. These new findings suggest the localized variation in residual strains should be taken into account while evaluating the service damage evolution of railway axles, especially those affected by high-speed impacts during operation.
Qin, T. Y.*; Hu, F. F.*; 徐 平光; Zhang, H.*; Zhou, L.*; Ao, N.*; Su, Y. H.; 菖蒲 敬久; Wu, S. C.*
International Journal of Fatigue, 185, p.108336_1 - 108336_13, 2024/08
被引用回数：8 パーセンタイル：94.71(Engineering, Mechanical)Gradient distribution of triaxial residual stresses to a depth of several millimeters is retained in middle carbon steel S38C axles after high-frequency induction hardening, which has become a critical concern for fatigue structural integrity. To address this, the axial, hoop, and radial gradient residual strains inside the axles were measured for the first time by advanced neutron diffraction. The SIGINI Fortran subroutine was then adopted to reconstruct the global initial residual stress field from the measured data. Experimental and simulation results show that residual stresses of about -520 MPa (axial), -710 MPa (hoop), and -40 MPa (radial) residual stress were retained below the axle surface. Subsequently, the fatigue crack propagation behavior of S38C axles was numerically investigated in the framework of fracture mechanics. The calculated results clearly show that the compressive residual stresses at a depth of 0?3 mm from the axle surface lead to a low crack growth driving force, and that fatigue cracks do not propagate as long as the crack depth is less than 3.7 mm for hollow S38C axles. These results further indicate that the maximum defect size allowed in routine inspections is acceptable from a safety and economic point of view. Accurate measurement and characterization of the global gradient residual stress field through experiments and simulations can provide an important reference for optimizing the mileage intervals of nondestructive testing (NDT) of surface defects in these surface-strengthened railway axles.
Tc separation/concentration technology from 
Mo by (n, 
) method, 2藤田 善貴; Hu, X.*; Yang, Y.*; 北川 大凱*; 藤原 靖幸*; 吉永 尚生*; 堀 順一*; Do, T. M. D.*; 鈴木 達也*; 末松 久幸*; et al.
KURNS Progress Report 2023, P. 122, 2024/07
核セキュリティ等の観点から放射化法((n,)法)によるMo製造の研究開発が進められている。この方法をMo/Tcジェネレータに適用するためには、Mo吸着材として用いられるアルミナ(AlO)の特性改善が不可欠である。本報告では、高いMo吸着特性を有すると報告されている2つの文献を基に3種類のアルミナを合成し、ジェネレータへの適用性を評価した。京都大学研究用原子炉(KUR)で照射したMoOを溶解した溶液(Mo濃度10g/L、pH4)に、アルミナを添加し3時間静置した。静置後のアルミナをカラムに移し、24時間ごとに2日間ミルキングを実施した。その結果、全てのアルミナで現行のジェネレータに使用されているアルミナを大きく上回る90mg-Mo/g以上のMo吸着量を得た。一方で、表面に均一な細孔が観察されたアルミナではミルキングにおけるMo脱離量も多かった。したがって、本試験条件においては、アルミナの表面状態はMo吸着特性よりもMo保持能力に大きな影響を与える可能性が示唆された。今後、より実用的な条件下でのジェネレータへの適用性を評価する。
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：75.40(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.
Ma, Y.*; Naeem, M.*; Zhu, L.*; He, H.*; Sun, X.*; Yang, Z.*; He, F.*; Harjo, S.; 川崎 卓郎; Wang, X.-L.*
Acta Materialia, 270, p.119822_1 - 119822_13, 2024/05
被引用回数：9 パーセンタイル：95.42(Materials Science, Multidisciplinary)We report an in situ neutron diffraction study of 316 L that reveals an extraordinary work-hardening rate (WHR) of 7 GPa at 15 K. Detailed analyses show that the major contribution to the excellent strength and ductility comes from the transformation-induced plasticity (TRIP) effect, introduced by the austenite-to-martensite (-to-
') phase transition. A dramatic increase in the WHR is observed along with the transformation; the WHR declined when the austenite phase is exhausted. During plastic deformation, the volume-fraction weighted phase stress and stress contribution from the '-martensite increase significantly. The neutron diffraction data further suggest that the -to-' phase transformation was mediated by the -martensite, as evidenced by the concurrent decline of the phase with the phase.
Yuan, X.*; Hu, Q. H.*; Fang, X.*; Wang, Q. M.*; Ma, Y.*; 舘 幸男
Sedimentary Geology, 465, p.106633_1 - 106633_14, 2024/05
被引用回数：0 パーセンタイル：0.00(Geology)Archie's cementation factor, m, is a critical parameter for petrophysical studies, and the value is influenced by several factors such as the shape, type, and size of grains, degrees of diagenesis, and associated pore structure. Using integrated experimental and theoretical approaches, the goal of this study is to obtain the cementation factor of rocks (both reservoir rock and caprock) and assess the impact of diagenesis processes on the values of the cementation factor. Thirteen samples of geologically diverse rocks (six mudstones, four fossiliferous limestones, two marbles, and one sandstone) were selected to achieve these research objectives. Two approaches, the diffusion of gas tracers and the Bosanquet formula calculation using pore-throat sizes from mercury intrusion porosimetry analyses, were used to derive the cementation factors of these rock samples. These rocks were categorized into two groups based on the correlation between average pore-throat diameter and diffusivity, and an exponential-law relationship between the cementation factor and porosity was determined for these sample groups. In addition, thin-section petrography and field emission-scanning electron microscopy observations were utilized to investigate diagenetic processes, with four diagenetic patterns being established: (1) strong compaction, strong cementation, and weak dissolution-diagenesis pattern; (2) weak compaction, medium cementation, and weak dissolution-diagenesis pattern; (3) weak compaction, medium cementation, and strong dissolution-diagenesis pattern; and (4) fracture-matrix pattern. The results indicated that diagenetic processes and microfractures contribute to the variability in the cementation factors in these rock samples.
Cl via 
and 
decayTripathi, V.*; Bhattacharya, S.*; Rubino, E.*; Benetti, C.*; Perello, J. F.*; Tabor, S. L.*; Liddick, S. N.*; Bender, P. C.*; Carpenter, M. P.*; Carroll, J. J.*; et al.
Physical Review C, 109(4), p.044320_1 - 044320_15, 2024/04
被引用回数：0 パーセンタイル：0.00(Physics, Nuclear)ミシガン州立大学の国立超伝導サイクロトロン研究所において
Caのフラグメンテーション反応によって中性子過剰核
Sを生成し、そこからのベータ崩壊および遅発中性子放出ベータ崩壊によってClの励起状態を得た。得られた実験データをSDPFSDG-MU相互作用を用いた大規模殻模型計算と比較し、よい一致を得た。
-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：91.57(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.*; G
mez-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：2 パーセンタイル：58.81(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。
SnSe
Ren, Q.*; Gupta, M. K.*; Jin, M.*; Ding, J.*; Wu, J.*; Chen, Z.*; Lin, S.*; Fabelo, O.*; Rodriguez-Velamazan, J. A.*; 古府 麻衣子; et al.
Nature Materials, 22(8), p.999 - 1006, 2023/08
被引用回数：76 パーセンタイル：99.20(Chemistry, Physical)Ultralow thermal conductivity and fast ionic diffusion endow superionic materials with excellent performance both as thermoelectric converters and as solid-state electrolytes. Yet the correlation and interdependence between these two features remain unclear owing to a limited understanding of their complex atomic dynamics. Here we investigate ionic diffusion and lattice dynamics in argyrodite AgSnSe using synchrotron X-ray and neutron scattering techniques along with machine-learned molecular dynamics. We identify a critical interplay of the vibrational dynamics of mobile Ag and a host framework that controls the overdamping of low-energy Ag-dominated phonons into a quasi-elastic response, enabling superionicity. Concomitantly, the persistence of long-wavelength transverse acoustic phonons across the superionic transition challenges a proposed 'liquid-like thermal conduction' picture. Rather, a striking thermal broadening of low-energy phonons, starting even below 50 K, reveals extreme phonon anharmonicity and weak bonding as underlying features of the potential energy surface responsible for the ultralow thermal conductivity (
0.5 WmK) and fast diffusion. Our results provide fundamental insights into the complex atomic dynamics in superionic materials for energy conversion and storage.
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：21.90(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。
decay of exotic P and S isotopes with neutron number near 28Tripathi, V.*; Bhattacharya, S.*; Rubino, E.*; Benetti, C.*; Perello, J. F.*; Tabor, S. L.*; Liddick, S. N.*; Bender, P. C.*; Carpenter, M. P.*; Carroll, J. J.*; et al.
Physical Review C, 106(6), p.064314_1 - 064314_14, 2022/12
被引用回数：4 パーセンタイル：53.47(Physics, Nuclear)ミシガン州立大学の国立超伝導サイクロトロン研究所にて、中性子過剰なリン、硫黄同位体を生成し、そこからのベータ崩壊半減期および娘核の励起準位を測定した。
Pの崩壊によって得られるエネルギー準位から、この原子核の基底状態は
あるいは
であることが示唆された。中性子数が偶数の硫黄同位体からの崩壊様式を系統的に調べた結果、中性子数が増えるにつれてガモフテラー遷移強度の大きな準位の励起エネルギーが高くなることがわかった。これは、大規模殻模型計算によって予言されている現象に一致する。
Mo/
Tc generator by (n, ) method, 4藤田 善貴; 関 美沙紀; Ngo, M. C.*; Do, T. M. D.*; Hu, X.*; Yang, Y.*; 武内 伴照; 中野 寛子; 藤原 靖幸*; 吉永 尚生*; et al.
KURNS Progress Report 2021, P. 118, 2022/07
核セキュリティ等の観点から放射化法((n,)法)によるMo製造の研究開発が進められている。この方法をMo/Tcジェネレータに適応するためには、Mo吸着材として用いられるアルミナ(AlO)の特性改善が不可欠である。これまで、開発したAlO試料から得られるTc溶液の品質を評価してきたが、溶液中へのMo脱離が課題だった。本研究では、市販のジェネレータを模した形状のカラムにAlO試料を充填し、Mo脱離低減のためのいくつかの措置を施してTc溶液の品質を評価した。以前実施した、AlO試料をMo溶液に浸漬させる静的吸着の条件と比較した結果、Mo溶液をAlOカラムに流す動的吸着の適用、Mo溶液の高濃度化、Mo添加量の低減によりMo脱離量が大幅に改善された。したがって、吸着方法および吸着条件の最適化による品質向上の可能性が示唆された。今後、本結果に基づきカラム形状およびMo吸着条件の最適化を図る。
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：3 パーセンタイル：15.57(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。
