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Probing deformation behavior of a refractory high-entropy alloy using in situ neutron diffraction

Zhou, 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

The grain orientation-dependent lattice strain evolution of a (TiZrHfNb)$$_{98}$$$$N_2$$ refractory high-entropy alloy (HEA) during tensile loading has been investigated using in situ neutron diffraction. The equivalent strain-hardening rate of each of the primary $$<hkl>$$-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.


Pressure engineering of van der Waals compound RhI$$_3$$; Bandgap narrowing, metallization, and remarkable enhancement of photoelectric activity

Fang, Y.*; Kong, L.*; Wang, R.*; Zhang, Z.*; Li, Z.*; Wu, Y.*; Bu, K.*; Liu, X.*; Yan, S.*; 服部 高典; et al.

Materials Today Physics (Internet), 34, p.101083_1 - 101083_7, 2023/05

 被引用回数:0 パーセンタイル:0(Materials Science, Multidisciplinary)



Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite Ag$$_{8}$$SnSe$$_{6}$$

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, p.999 - 1006, 2023/05

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 Ag$$_{8}$$SnSe$$_{6}$$ 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 Wm$$^{-1}$$K$$^{-1}$$) and fast diffusion. Our results provide fundamental insights into the complex atomic dynamics in superionic materials for energy conversion and storage.


Corrosion fatigue crack growth behavior of a structurally gradient steel for high-speed railway axles

Ao, N.*; Zhang, H.*; Xu, H. H.*; Wu, S. C.*; Liu, D.*; 徐 平光; Su, Y. H.; Kang, Q. H.*; Kang, G. Z.*

Engineering Fracture Mechanics, 281, p.109166_1 - 109166_14, 2023/03

 被引用回数:0 パーセンタイル:73.03(Mechanics)

Considering the complex service environments that high-speed railway axles are subjected to, the fatigue crack growth (FCG) behavior of a structurally gradient axle steel with different pre-crack depths both in air and corrosive medium was investigated at a frequency of 5 Hz. The results indicated that in the high $$Delta$$$$K$$ region, FCG rate was dramatically accelerated by corrosion, but the gap narrows as $$Delta$$$$K$$ decreased. The accelerated corrosion FCG rate was a comprehensive result of the acceleration effect of the anodic dissolution, hydrogen-enhanced localized plasticity and the retardation effect of corrosion-induced crack-tip blunting. Despite the fact that the corrosion resistance gradually decreased as the pre-crack depth increased, the FCG rate in the corrosive medium gradually decreased. This was because fatigue loading played a more important role than corrosion in accelerating the corrosion FCG rate.


Fatigue crack non-propagation behavior of a gradient steel structure from induction hardened railway axles

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:0 パーセンタイル:0(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.


Experimental evidence for the significance of optical phonons in thermal transport of tin monosulfide

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:0 パーセンタイル:0.01(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.


Design of MA(III)/Ln(III) separation process of extraction chromatography technology

阿久澤 禎*; Kim, S.-Y.*; 久保田 真彦*; Wu, H.*; 渡部 創; 佐野 雄一; 竹内 正行; 新井 剛*

Journal of Radioanalytical and Nuclear Chemistry, 331(12), p.5851 - 5858, 2022/12

 被引用回数:0 パーセンタイル:0.01(Chemistry, Analytical)

In this work, we have examined Ln(III) and MA(III) separation conditions by the extraction chromatography using HONTA adsorbent to decide the Ln(III)/MA(III) separation process fow. From the research results, we found the simulated element of Am(III) for HONTA adsorbent and the conditions to use it. In addition, Ln(III) and Am(III) (simulated element) separation experiments were carried out using the HONTA adsorbent packed column, we have determined the column separation conditions for Am(III) such as order of fow solution and fow rate.


Ten years of warming increased plant-derived carbon accumulation in an East Asian monsoon forest

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$~n$uelas, J.*; et al.

Plant and Soil, 481(1-2), p.349 - 365, 2022/12

 被引用回数:0 パーセンタイル:0.02(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.


Two-dimensional quantum universality in the spin-1/2 triangular-lattice quantum antiferromagnet Na$$_{2}$$BaCo(PO$$_{4}$$)$$_{2}$$

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

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 Na$$_{2}$$BaCo(PO$$_{4}$$)$$_{2}$$ 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.


Grain orientation dependence of deformation microstructure evolution and mechanical properties in face-centered cubic high/medium entropy alloys

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:0 パーセンタイル:0.83

This study revealed characteristics of the deformation behavior in high/medium entropy alloys (HEAs/MEAs) with face-centered cubic (FCC) structure. A Co$$_{60}$$Ni$$_{40}$$ alloy and a Co$$_{20}$$Cr$$_{40}$$Ni$$_{40}$$ 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 Co$$_{60}$$Ni$$_{40}$$ alloy at room temperature. Deformation microstructures of the Co$$_{60}$$Ni$$_{40}$$ 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$$sim$$//$$<$$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$$sim$$//$$<$$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.


Magnetic properties and electronic configurations of Mn ions in the diluted magnetic semiconductor Ba$$_{1-x}$$K$$_x$$(Zn$$_{1-y}$$Mn$$_y$$)$$_2$$As$$_2$$ 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:0 パーセンタイル:0(Physics, Multidisciplinary)

The magnetic properties and the electronic excitations of the new diluted magnetic semiconductor Ba$$_{1-x}$$K$$_x$$(Zn$$_{1-y}$$Mn$$_y$$)$$_2$$As$$_2$$ 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 $$d^5$$, 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 Ga$$_{1-x}$$Mn$$_x$$As, it is concluded that the ground state of Mn in Ba$$_{1-x}$$K$$_x$$(Zn$$_{1-y}$$Mn$$_y$$)$$_2$$As$$_2$$ consists of both the $$3d^5 underline{L}$$ and $$3d^5$$ electron configurations.


Martensitic transformation in CrCoNi medium-entropy alloy at cryogenic temperature

Naeem, M.*; Zhou, H.*; He, H.*; Harjo, S.; 川崎 卓郎; Lan, S.*; Wu, Z.*; Zhu, Y.*; Wang, X.-L.*

Applied Physics Letters, 119(13), p.131901_1 - 131901_7, 2021/09

 被引用回数:7 パーセンタイル:68.73(Physics, Applied)

We investigated the in situ deformation behavior of the CrCoNi medium-entropy alloy at a cryogenic temperature of 140 K and compared it with deformation at room temperature. The sample exhibited higher strength and larger ductility at the cryogenic temperature. The CrCoNi alloy remained single-phase face-centered cubic at room temperature, while deformation at 140 K resulted in a martensitic transformation to the hexagonal close-packed structure. The phase transformation, an additional deformation mechanism to stacking faults, twinning, and dis- location slip, resulted in a higher work hardening at cryogenic temperature. The study addresses the structure metastability in the CrCoNi alloy, which led to the formation of epsilon-martensite from the intrinsic stacking faults.


Cross-shell excitations in $$^{46}$$Ca studied with fusion reactions induced by a reaccelerated rare isotope beam

Ash, J.*; 岩崎 弘典*; Mijatovi$'c$, T.*; Budner, T.*; Elder, R.*; Elman, B.*; Friedman, M.*; Gade, A.*; Grinder, M.*; Henderson, J.*; et al.

Physical Review C, 103(5), p.L051302_1 - L051302_6, 2021/05

 被引用回数:3 パーセンタイル:53.21(Physics, Nuclear)

カルシウム同位体は陽子魔法数20を持つため基底状態は球形であるが、変形共存と呼ばれる、数MeV上に変形した状態がある現象が予想されている。回転バンドの存在によってそれが実験的に確かめられるが、$$^{46}$$Caは安定核の融合反応で作るには中性子が多すぎるため、これまで回転バンドの存在が確かめられていなかった。この研究では、ミシガン州立大学の超伝導サイクロトロンにて中性子過剰核$$^{45}$$Kビームを作り、そこから$$^7$$Li($$^{45}$$K,$$alpha 2ngamma$$)$$^{46}$$Ca反応によって$$^{46}$$Caの高スピン状態を生成した。そこからの脱励起ガンマ線の観測により、$$6^+$$までの回転バンドの存在を確立した。そのエネルギー準位は、大規模殻模型計算の予言とよく合うことがわかり、$$^{46}$$Caでも変形共存が起こることが明らかになった。


Coordination number regulation of molybdenum single-atom nanozyme peroxidase-like specificity

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:147 パーセンタイル:99.8(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$$_{rm{SA}}$$-N$$_{x}$$-C), wherein we find that the peroxidase-like specificity is well regulated by the coordination numbers of single Mo sites. The resulting Mo$$_{rm{SA}}$$-N$$_{3}$$-C catalyst shows exclusive peroxidase-like behavior. It achieves this behavior via a homolytic pathway, whereas Mo$$_{rm{SA}}$$-N$$_{2}$$-C and Mo$$_{rm{SA}}$$-N$$_{4}$$-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.


Stacking fault driven phase transformation in CrCoNi medium entropy alloy

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:28 パーセンタイル:94.66(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.


Extremely high dislocation density and deformation pathway of CrMnFeCoNi high entropy alloy at ultralow temperature

Naeem, M.*; He, H.*; Harjo, S.; 川崎 卓郎; Zhang, F.*; Wang, B.*; Lan, S.*; Wu, Z.*; Wu, Y.*; Lu, Z.*; et al.

Scripta Materialia, 188, p.21 - 25, 2020/11

 被引用回数:46 パーセンタイル:97.41(Nanoscience & Nanotechnology)

The deformation behavior of CrMnFeCoNi high entropy alloy was investigated by in situ neutron diffraction at an ultralow temperature of 15 K. Analysis of the diffraction peak widths showed an extremely high dislocation density at 15 K, reaching $$sim$$10$$^{16}$$ m$$^{-2}$$. In addition, the dislocation density was found to closely follow the development of texture caused by deformation. In contrast to deformation by dislocation slip at room temperature, the ultralow-temperature deformation also involved stacking faults, twinning and serrations. The deformation pathway at ultralow temperature is outlined which is responsible for the extraordinary strength-ductility combination.


HPRL; International cooperation to identify and monitor priority nuclear data needs for nuclear applications

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:5 パーセンタイル:99.69

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.


Shell structure of the neutron-rich isotopes $$^{69,71,73}$$Co

Lokotko, T.*; Leblond, S.*; Lee, J.*; Doornenbal, P.*; Obertelli, A.*; Poves, A.*; Nowacki, F.*; 緒方 一介*; 吉田 数貴; Authelet, G.*; et al.

Physical Review C, 101(3), p.034314_1 - 034314_7, 2020/03

 被引用回数:8 パーセンタイル:73.73(Physics, Nuclear)

中性子過剰核である$$^{69,71,73}$$Coに対する($$p,2p$$)ノックアウト反応が理化学研究所RIBFで測定された。$$gamma-gamma$$ coincidenceの方法で準位構造が決定され、測定された包括的断面積および排他的断面積から暫定的ではあるがスピン・パリティが決定された。殻模型計算との比較により、$$^{69,71,73}$$Coの低励起状態には球形核と変形核が共存することが示唆された。


Cooperative deformation in high-entropy alloys at ultralow temperatures

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:123 パーセンタイル:99.13(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.


Experimental determination of the emissivity of nuclear graphite at high temperature conditions

Chai, P.; Wu, Y.*; 岡本 孝司

Mechanical Engineering Letters (Internet), 6, p.20-00204_1 - 20-00204_7, 2020/00


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