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ionic liquidsEmerson, M. S.*; Fetherolf, J.*; Wu, B.*; Ramati, S.*; Mukhlall, J.*; Fernandez, E. D.*; 神戸 正雄; Lall-Ramnarine, S. I.*; Castner, E. W. Jr. *; Wishart, J. F.*
Journal of Ionic Liquids (Internet), 6(1), p.100209_1 - 100209_13, 2026/06
High-energy X-ray scattering experiments and molecular dynamics (MD) simulations were carried out on ionic liquids (ILs) consisting of 1-alkyl-3-methylimidazolium and 1-alkyl-1-methylpyrrolidinium cations. These cations were paired with bis(trifluoromethylsulfonyl)amide anions and identical alkyl tails were used for both cationic species. The goal of this work is to investigate how the nanoscale structure of the ionic liquid changes with the length and with the degree of branching of the alkyl tail, for ILs having a common anion. We investigate spatial correlations in the intermolecular region, focusing on the intrinsic charge-charge interactions that characterize all ionic liquids, as well as the nanoscale domain segregation that is present in IL species with significant nonpolar components.
Emerson, M. S.*; Lall-Ramnarine, S. I.*; Hatcher-Lamarre, J. L.*; Thomas, M. F.*; 神戸 正雄; Wu, B.*; Liang, M.*; Ramati, S.*; Wu, F.*; Margulis, C. J.*; et al.
Processes (Internet), 14(8), p.1208_1 - 1208_27, 2026/04
A diverse range of 4-dimethylaminopyridinium (DMAP) bis(trifluoromethylsulfonyl)-amide ionic liquids with specific functionalities (alkyl, alkoxy, hydroxyalkyl and benzyl) were designed, characterized and compared with their pyridinium analogs in terms of their physical and radiolytic properties. The influence of the dimethylamino group on ionic liquid structure was investigated by X-ray diffraction and molecular dynamics simulations. The influence of the electron-donating ability of the dimethylamino-substituted cation is evident in the differences in the electronic density of states between the DMAP and pyridinium ILs. This leads to substantial changes in the radical transients observed in pulse radiolysis of the neat ILs. It was found that the DMAP salts were higher melting, more viscous and less conducting than their pyridinium analogs. However, the DMAP salts exhibited higher thermal stabilities and could therefore be useful for high-temperature applications.
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：3 パーセンタイル：60.79(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.
Qin, T. Y.*; Hu, F. F.*; 徐 平光; Zhang, R.*; Su, Y. H.; Ao, N.*; Li, Z. W.*; 篠原 武尚; 菖蒲 敬久; Wu, S. C.*
International Journal of Fatigue, 202, p.109233_1 - 109233_16, 2026/01
被引用回数：5 パーセンタイル：73.62(Engineering, Mechanical)The surface induction-hardened S38C medium carbon steel shows a good balance of strength and toughness, but complicates the evaluation of fatigue resistance, mainly because of gradient residual stress (RS) and grains. An integrated fatigue resistance assessment (AIFA) framework was proposed to consider the residual stress relief under stochastic loads. To this end, quasi-in situ neutron diffraction and Bragg-edge imaging were combined to probe the evolution of residual stress during crack propagation. Firstly, a rigid-flexible coupled vehicle dynamics model was adopted to obtain the time-domain variable amplitude loading spectrum. Then, Fortran subroutines were developed to assign these data into full-scale S38C axle model, and the remaining life was predicted using the damage tolerance approach. The results demonstrate that crack propagation would accelerate when residual stress is considered in the case of the crack depth exceeding 3.0 mm. It is, for the first time, found that 15 mm- and 5 mm-thickness fan-shaped specimens can retain the axial and hoop residual strain in terms of diffraction angle variation, respectively, for full-scale structural S38C steel axles. In the absence of RS, the remaining life of the axle decreases sharply from 624,800 to 51,300 km as the crack depth increases from 3.0 to 16 mm. Compared with the standard method under constant amplitude loading without residual stress relief, the present AIFA method provides the more accurate but conservative fatigue life prediction.
and L1 phase in deformation behaviors of additively manufactured FeCrNiAlTi alloyWang, X.*; Wang, Y.*; Gong, W.; Wu, W.*; Zhang, Y.*; Harjo, S.; Yang, Z.*; Chen, H.*
International Journal of Plasticity, 195, p.104502_1 - 104502_16, 2025/12
被引用回数：10 パーセンタイル：92.28(Engineering, Mechanical)Precipitation hardening strengthens FCC alloys but often reduces ductility. This study shows that precipitates can also modify deformation behavior to mitigate this trade-off. An FeCrNiAlTi FCC alloy fabricated by laser additive manufacturing contains incoherent L2 precipitates at cell walls and coherent L1 precipitates within cells. By controlling precipitation, an excellent strength-ductility balance was achieved at both ambient and cryogenic temperatures. High-density precipitates provide strengthening while promoting deformation-induced stacking faults and twinning, thereby enhancing work hardening via strain heterogeneity. In situ neutron diffraction indicates that post-yield lattice strain governs stacking fault and twin formation. Simulations show that interfacial misfit of the L2 phase and the size and spacing of the L1 phase amplify local strain.
Naeem, M.*; Ma, Y.*; Tian, J.*; Kong, H.*; Romero-Resendiz, L.*; Fan, Z.*; Jiang, F.*; Gong, W.; Harjo, S.; Wu, Z.*; et al.
Materials Science & Engineering A, 924, p.147819_1 - 147819_10, 2025/02
被引用回数：7 パーセンタイル：86.13(Nanoscience & Nanotechnology)Face-centered cubic (fcc) medium-/high-entropy alloys (M/HEAs) typically enhance strength and ductility at cryogenic temperatures via stacking faults, twinning, or martensitic transformation. However, in-situ neutron diffraction on VCoNi MEA at 15 K reveals that strain hardening is driven solely by rapid dislocation accumulation, without these mechanisms. This results in increased yield strength, strain hardening, and fracture strain. The behavior, explained by the Orowan equation, challenges conventional views on cryogenic strengthening in fcc M/HEAs and highlights the role of dislocation-mediated plasticity at low temperatures.
complex exhibiting intermolecular proton shifting coupled spin transitionJi, T.*; Su, S.*; Wu, S.*; 堀 優太*; 重田 育照*; Huang, Y.*; Zheng, W.*; Xu, W.*; Zhang, X.*; 鬼柳 亮嗣; et al.
Angewandte Chemie; International Edition, 63(25), p.e202404843_1 - e202404843_6, 2024/04
被引用回数：4 パーセンタイル：35.29(Chemistry, Multidisciplinary)In this study, we investigated reversible intermolecular proton shifting (IPS) coupled with spin transition (ST) in a novel Fe complex. The host Fe complex and the guest carboxylic acid anion were connected by intermolecular hydrogen bonds (IHBs). We extended the intramolecular proton transfer coupled ST phenomenon to the intermolecular system. The dynamic phenomenon was confirmed by variable-temperature single-crystal X-ray diffraction, neutron crystallography, and infrared spectroscopy.
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：8 パーセンタイル：32.35(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.
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：32 パーセンタイル：87.24(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.
Wu, P.*; 村井 直樹; Li, T.*; 梶本 亮一; 中村 充孝; 古府 麻衣子; 中島 健次; Xia, K.*; Peng, K.*; Zhang, Y.*; et al.
New Journal of Physics (Internet), 25(1), p.013032_1 - 013032_11, 2023/01
被引用回数：3 パーセンタイル：36.47(Physics, Multidisciplinary)The understanding of the lattice dynamics is essential for engineering the thermal transport properties in quantum materials. Based on the canonical point of view, acoustic phonons are believed to be the principal thermal carriers in heat flow. Here, in this work, optical phonons are elucidated to play a pivotal role in determining the lattice thermal conductivity in thermoelectric material SnS by using the state-of-the-art inelastic neutron scattering technique combined with first-principles calculations. Additionally, in contrast to acoustic phonons, optical phonons are observed to exhibit pronounced softening and broadening with temperature. Our observations not only shed light on the significance of the optical phonons in thermal transport but also provide a vital clue to suppress the propagation of optical phonons to optimize the thermoelectric performance of SnS.
Zhang, J.*; Kuang, L.*; Mou, Z.*; 近藤 俊明*; 小嵐 淳; 安藤 麻里子; Li, Y.*; Tang, X.*; Wang, Y.-P.*; Pe
uelas, J.*; et al.
Plant and Soil, 481(1-2), p.349 - 365, 2022/12
被引用回数：17 パーセンタイル：72.39(Agronomy)Soil warming effects on soil organic carbon (SOC) decomposition and stabilization are highly variable, and the underlying mechanisms are poorly understood. In this study, concentration, stability (dissolved, particle and mineral-associated SOC), and source (plant-derived and microbial-derived) of SOC, soil microbial community composition, and enzyme activities were studied in a 10-year soil warming field experiment in an East Asian monsoon forest. The results showed that 10-year soil warming significantly enhanced SOC in the top 0-10 cm soil. The increased SOC induced by warming was mainly derived from plants with lignin markers, accompanied by a decrease in microbial-derived SOC. This highlights an urgent need for a better understanding of how the contrasting effects of plant- and microbial-derived C mediate the response of the SOC pool to warming across different biomes.
BaCo(PO
)Sheng, J.*; Wang, L.*; Candini, A.*; Jiang, W.*; Huang, L.*; Xi, B.*; Zhao, J.*; Ge, H.*; Zhao, N.*; Fu, Y.*; et al.
Proceedings of the National Academy of Sciences of the United States of America, 119(51), p.e2211193119_1 - e2211193119_9, 2022/12
被引用回数：56 パーセンタイル：95.88(Multidisciplinary Sciences)Although considerable progress has been made in the theoretical understanding of the low-dimensional frustrated quantum magnets, experimental realizations of a well-established scaling analysis are still scarce. This is particularly true for the two-dimensional antiferromagnetic triangular lattices. Owing to the small exchange strength, the newly discovered compound NaBaCo(PO) provides a rare opportunity for clarifying the quantum criticality in an ideal triangular lattice with quantum spin S=1/2. In addition to the establishment of the complete phase diagrams, the spin Hamiltonian with a negligible interplane interaction has been determined through the spin wave dispersion in the polarized state, which is consistent with the observation of a two-dimensional quantum critical point with the Bose-Einstein condensation of diluted free bosons.
吉田 周平*; Fu, R.*; Gong, W.; 池内 琢人*; Bai, Y.*; Feng, Z.*; Wu, G.*; 柴田 曉伸*; Hansen, N.*; Huang, X.*; et al.
IOP Conference Series; Materials Science and Engineering, 1249, p.012027_1 - 012027_6, 2022/08
被引用回数：5 パーセンタイル：92.36(Metallurgy & Metallurgical Engineering)This study revealed characteristics of the deformation behavior in high/medium entropy alloys (HEAs/MEAs) with face-centered cubic (FCC) structure. A Co
Ni
alloy and a Co
CrNi MEA having low and high friction stresses (fundamental resistance to dislocation glide in solid solutions), respectively, but similar in other properties, including their stacking fault energy and grain sizes, were compared. The MEA exhibited a higher yield strength and work-hardening ability than those in the CoNi alloy at room temperature. Deformation microstructures of the CoNi alloy were composed of coarse dislocation cells (DCs) in most grains, and a few deformation twins (DTs) formed in grains with tensile axis (TA) nearly parallel to 
111
. In the MEA, three microstructure types were found depending on the grain orientations: (1) fine DCs developed in TA
//100-oriented grains; (2) planar dislocation structures (PDSs) formed in grains with other orientations; and (3) dense DTs adding to the PDSs developed in TA//111-oriented grains. The results imply difficulty in cross-slip of screw dislocations and dynamic recovery in the MEA, leading to an increase in the dislocation density and work-hardening rate. Our results suggest that FCC high-alloy systems with high friction stress inherently develop characteristic deformation microstructures advantageous for achieving high strength and large ductility.
K
(Zn
Mn
)As studied by X-ray magnetic circular dichroism and resonant inelastic X-ray scattering鈴木 博人*; Zhao, G.*; 岡本 淳*; 坂本 祥哉*; Chen, Z.-Y.*; 野中 洋亮*; 芝田 悟朗; Zhao, K.*; Chen, B.*; Wu, W.-B.*; et al.
Journal of the Physical Society of Japan, 91(6), p.064710_1 - 064710_5, 2022/06
被引用回数：5 パーセンタイル：44.35(Physics, Multidisciplinary)The magnetic properties and the electronic excitations of the new diluted magnetic semiconductor BaK(ZnMn)As have been studied by X-ray magnetic circular dichroism (XMCD) and resonant inelastic X-ray scattering (RIXS). The sum rule analysis of the XMCD spectra indicates that the Mn atoms are in the high-spin configurations of 
, whereas the presence of competing ferromagnetic and antiferromagnetic interactions between the Mn ions reduces the net spin moment. Based on a comparison of the RIXS line shapes with those of GaMnAs, it is concluded that the ground state of Mn in BaK(ZnMn)As consists of both the 
and 
electron configurations.
Naeem, M.*; He, H.*; Harjo, S.; 川崎 卓郎; Lin, W.*; Kai, J.-J.*; Wu, Z.*; Lan, S.*; Wang, X.-L.*
Acta Materialia, 221, p.117371_1 - 117371_18, 2021/12
被引用回数：94 パーセンタイル：98.21(Materials Science, Multidisciplinary)We studied the deformation behavior of CrFeCoNi high-entropy alloy by in situ neutron diffraction at room temperature, intermediate low temperature of 140 K, low temperatures of 40 K (no serrated deformation) and 25 K (with massive serrations). The contributions from different deformation mechanisms to the yield strength and strain hardening have been estimated. The athermal contributions to the yield strength were 183 MPa at all temperatures, while the Peierls stress increased significantly at low temperatures (from 148 MPa at room temperature to 493 MPa at 25 K). Dislocations contributed to 94% strain hardening at room temperature. Although the dislocation strengthening remained the major hardening mechanism at very low temperatures, the planar faults contribution increased steadily from 6% at room temperature to 28% at 25 K.
Wang, Y.*; Jia, G.*; Cui, X.*; Zhao, X.*; Zhang, Q.*; Gu, L.*; Zheng, L.*; Li, L. H.*; Wu, Q.*; Singh, D. J.*; et al.
Chem, 7(2), p.436 - 449, 2021/02
被引用回数：371 パーセンタイル：99.74(Chemistry, Multidisciplinary)Nanozymes are promising alternatives to natural enzymes, but their use remains limited owing to poor specificity. Overcoming this is extremely challenging due to the intrinsic structural complexity of these systems. We report theoretical design and experimental realization of a series of heterogeneous molybdenum single-atom nanozymes (named Mo
-N
-C), wherein we find that the peroxidase-like specificity is well regulated by the coordination numbers of single Mo sites. The resulting Mo-N
-C catalyst shows exclusive peroxidase-like behavior. It achieves this behavior via a homolytic pathway, whereas Mo-N-C and Mo-N-C catalysts have a different heterolytic pathway. The mechanism of this coordination-number-dependent enzymatic specificity is attributed to geometrical structure differences and orientation relationships of the frontier molecular orbitals.
He, H.*; Naeem, M.*; Zhang, F.*; Zhao, Y.*; Harjo, S.; 川崎 卓郎; Wang, B.*; Wu, X.*; Lan, S.*; Wu, Z.*; et al.
Nano Letters, 21(3), p.1419 - 1426, 2021/02
被引用回数：113 パーセンタイル：97.44(Chemistry, Multidisciplinary)In CrCoNi, a so-called medium-entropy alloy, an fcc-to-hcp phase transformation has long been anticipated. Here, we report an in situ loading study with neutron diffraction, which revealed a bulk fcc-to-hcp phase transformation in CrCoNi at 15 K under tensile loading. By correlating deformation characteristics of the fcc phase with the development of the hcp phase, it is shown that the nucleation of the hcp phase was triggered by intrinsic stacking faults. The confirmation of a bulk phase transformation adds to the myriads of deformation mechanisms available in CrCoNi, which together underpin the unusually large ductility at low temperatures.
Dupont, E.*; Bossant, M.*; Capote, R.*; Carlson, A. D.*; Danon, Y.*; Fleming, M.*; Ge, Z.*; 原田 秀郎; 岩本 修; 岩本 信之; et al.
EPJ Web of Conferences, 239, p.15005_1 - 15005_4, 2020/09
被引用回数：22 パーセンタイル：99.60(Nuclear Science & Technology)The OECD-NEA High Priority Request List (HPRL) is a point of reference to guide and stimulate the improvement of nuclear data for nuclear energy and other nuclear applications. The HPRL is application-driven and the requests are submitted by nuclear data users or representatives of the user's communities. A panel of international experts reviews and monitors the requests in the framework of an Expert Group mandated by the NEA Nuclear Science Committee Working Party on International Nuclear Data Evaluation Cooperation (WPEC). After approval, individual requests are divided in two priority categories only, whereas a third category now includes groups of generic requests in a well-defined area (e.g., dosimetry, standard). The HPRL is hosted by the NEA in the form of a relational database publicly available on the web. This contribution provides an overview of HPRL entries, status and outlook. Examples of requests successfully completed will be given and new requests will be described with emphasis on updated nuclear data needs in the fields of nuclear energy, neutron standards, dosimetry, and medical applications.
Li, B.; Luo, X. H.*; Wang, H.*; Ren, W. J.*; Yano, S.*; Wang, C.-W.*; Gardner, J. S.*; Liss, K.-D.*; Miao, P.*; Lee, S.-H.*; et al.
Physical Review B, 93(22), p.224405_1 - 224405_6, 2016/06
被引用回数：73 パーセンタイル：89.93(Materials Science, Multidisciplinary)Competition between ferromagnetic and antiferromagnetic phases on frustrated lattices in hexagonal Laves phase compound Hf
Ta
Fe is investigated by using neutron diffraction as a function of temperature and magnetic fields and density-functional-theory calculations. At 325 K, the compound orders into the 120
frustrated antiferromagnetic state with well-reduced magnetic moment and an in-plane lattice contraction simultaneously sets in. With further cooling down, however, the accumulated distortion in turn destabilizes this susceptible frustrated structure. The frustration is completely relieved at 255 K when the first-order transition to the ferromagnetic state takes place, where a colossal negative volumetric thermal expansion, 
/K, is obtained. Meanwhile, the antiferromagnetic state can be suppressed by few Tesla magnetic fields, which results in a colossal positive magnetostriction. Such delicate competition is attributed to the giant magnetic fluctuation inherent in the frustrated antiferromagnetic state. Therefore, the magnetoelastic instability is approached even under a small perturbation.
Ding, F.*; Luo, G.-N.*; Pitts, R.*; Litnovsky, A.*; Gong, X.*; Ding, R.*; Mao, H.*; Zhou, H.*; Wampler, W. R.*; Stangeby, P. C.*; et al.
Journal of Nuclear Materials, 455(1-3), p.710 - 716, 2014/12
被引用回数：31 パーセンタイル：88.68(Materials Science, Multidisciplinary)A movable material probe system (Material and Plasma Evaluation System: MAPES) with an independent pumping system and a sample exchange chamber has been developed and installed on a horizontal port of the EAST tokamak for studies of plasma material interaction (PMI). In the 2012 experimental campaign, deposition and erosion were studied for three samples: mock-up of the outer first wall panels (FWPs) in ITER, castellated tungsten, and molybdenum mirrors. The FWPs with carbon deposition layer were exposed to helium plasmas. The maximum erosion rate of the carbon was valuated to be 8 nm/s. The castellated tungsten with rectangular cells and roof-like shaped cells was exposed to deuterium plasmas to compare amount of deposits on the gap surface. The amount of carbon and boron impurities on the gap surface of the roof-like shaped cells were reduced to less than 30% compared with that of the rectangular cells. The molybdenum mirrors of which protective ducts are installed in front were exposed to deuterium plasmas in order to investigate effects of length of the ducts. It was found that the reflectivity of the mirrors with 60 mm-long protective ducts is kept the initial reflectivity.
