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論文

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

https://doi.org/10.1016/j.engfracmech.2023.109166
 被引用回数：0 パーセンタイル：0.01(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.

論文

Tensile overload-induced texture effects on the fatigue resistance of a CoCrFeMnNi high-entropy alloy

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

https://doi.org/10.1016/j.actamat.2022.118585
 被引用回数：1 パーセンタイル：44.11(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.

論文

Hybridized propagation of spin waves and surface acoustic waves in a multiferroic-ferromagnetic heterostructure

Chen, J.*; 山本 慧; Zhang, J.*; Ma, J.*; Wang, H.*; Sun, Y.*; Chen, M.*; Ma, J.*; Liu, S.*; Gao, P.*; et al.

Physical Review Applied (Internet), 19(2), p.024046_1 - 024046_9, 2023/02

https://doi.org/10.1103/PhysRevApplied.19.024046
 被引用回数：0 パーセンタイル：0(Physics, Applied)

Coherent coupling in magnon based hybrid system has many potential applications in quantum information processing. Magnons can propagate in magnetically ordered materials without any motion of electrons, offering a unique method to build low-power-consumption devices and information channels free of heat dissipation. In this article, we demonstrate the coherent propagation of hybridized modes between spin waves and Love surface acoustic waves in a multiferroic BiFeO$$_{3}$$ and ferromagnetic La$$_{0.67}$$Sr$$_{0.33}$$MnO$$_{3}$$ based heterostructure. The magneto-elastic coupling enables a giant enhancement of strength of the hybridized mode by a factor of 26 compared to that of the pure spin waves. A short wavelength down to 250 nm is demonstrated for the hybridized mode, which is desirable for nanoscale acousto-magnonic applications. Our combined experimental and theoretical analyses represent an important step towards the coherent control in hybrid magnonics, which may inspire the study of magnon-phonon hybrid systems for coherent information processing and manipulation.

論文

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

https://doi.org/10.1016/j.ijfatigue.2022.107296
 被引用回数：0 パーセンタイル：0.01(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.

論文

First observation of the decay of the 13/2$$^+$$ isomer in $$^{183}$$Hg and $$B$$(${it M}$2) systematics of neutron transitions across the nuclear chart

Huang, H.*; Zhang, W. Q.*; Andreyev, A. N.; Liu, Z.*; Seweryniak, D.*; Li, Z. H.*; Guo, C. Y.*; Barzakh, A. E.*; Van Duppen, P.*; Andel, B.*; et al.

Physics Letters B, 833, p.137345_1 - 137345_8, 2022/10

https://doi.org/10.1016/j.physletb.2022.137345
 被引用回数：0 パーセンタイル：0.02(Astronomy & Astrophysics)

The decay of the 13/2$$^+$$ isomeric state in $$^{183}$$Hg was observed for the first time following the $$alpha$$ decay of the 13/2$$^+$$ isomer in $$^{187}$$Pb produced in the $$^{142}$$Nd$$(^{50}$$Cr$$, 2p3n)$$ reaction. Using $$alpha$$-$$gamma$$ delayed coincidence measurements, the half-life of this isomer was measured to be 290(30) $$mu$$s. This isomer is proposed to deexcite by an unobserved low-energy $$M$$2 transition to the known 9/2$$^-$$ member of a strongly prolate-deformed 7/2$$^-$$[514] band, followed by a 105-keV $$M$$1 transition to the bandhead. A lower limit of B($$M$$2)$$geq$$0.018 W.u. was deduced for the unobserved transition. The presumed retardation is proposed to be due to the notable shape change between the initial, nearly spherical, and the final, strongly deformed, states. A similar scenario is also considered for the 13/2$$^+$$ isomer in $$^{181}$$Hg, suggesting both are cases of shape isomers. The B($$M$$2) systematics of neutron transitions across the nuclear chart is discussed.

論文

Fine structure in the $$alpha$$ decay of the 8$$^{+}$$ isomer in $$^{216,218}$$U

Zhang, M. M.*; Tian, Y. L.*; Wang, Y. S.*; Zhang, Z. Y.*; Gan, Z. G.*; Yang, H. B.*; Huang, M. H.*; Ma, L.*; Yang, C. L.*; Wang, J. G.*; et al.

Physical Review C, 106(2), p.024305_1 - 024305_6, 2022/08

https://doi.org/10.1103/PhysRevC.106.024305
 被引用回数：1 パーセンタイル：56.18(Physics, Nuclear)

The extremely neutron-deficient even-even uranium isotopes $$^{216,218}$$U were produced in the complete-fusion reactions induced by impinging $$^{40}$$Ar and $$^{40}$$Ca ions on $$^{180,182,184}$$W targets. Fusion evaporation residues were separated in flight by the gas-filled recoil separator SHANS (Spectrometer for Heavy Atoms and Nuclear Structure) and subsequently identified using the recoil-$$alpha$$-correlation method. In this paper, we report on new $$alpha$$-decay activities with $$E_{alpha} = 10163(27)$$ keV for $$^{216}$$U and $$E_{alpha} = 10073(16)$$ keV for $$^{218}$$U, which decay from the 8$$^{+}$$ isomeric states of $$^{216,218}$$U into the 2$$^{+}$$ states of their daughter nuclei $$^{212,214}$$Th, respectively. The new results extend the systematics of the $$alpha$$-decay fine structure for the $$N$$ = 124 and 126 even-even isotones.

論文

Transport model comparison studies of intermediate-energy heavy-ion collisions

Walter, H.*; Colonna, M.*; Cozma, D.*; Danielewicz, P.*; Ko, C. M.*; Kumar, R.*; 小野 章*; Tsang, M. Y. B*; Xu, J.*; Zhang, Y.-X.*; et al.

Progress in Particle and Nuclear Physics, 125, p.103962_1 - 103962_90, 2022/07

https://doi.org/10.1016/j.ppnp.2022.103962
 被引用回数：23 パーセンタイル：96.81(Physics, Nuclear)

原子核-原子核衝突や原子核の状態方程式の研究において、反応計算モデルは重要なツールとなり、世界中で開発が進んでいる。本論文は、原子力機構のJQMD-2.0を含め、現在開発中の複数のコード開発者の協力により、これらコードを同じ条件で比較することで共通点や差異を明らかにしたプロジェクトTransport Model Evaluation Project (TMEP)を総括したものである。参加したコードはBoltzmann-Uehling-Uhlenbeck(BUU)法に基づく13のコードと、Quantum Molecular Dynamics (QMD)法に基づく12のコードであった。プロジェクトでは、Au原子核同士を衝突させてその終状態を観測する現実的な計算や、一辺が640nmの箱に核子を詰めて時間発展させる仮想的な計算を行った。その結果、BUU法コードとQMD法コードは計算原理が異なるため、計算の設定に関係なく系統的な差異が生じることが明らかになった。その一方で、同じ方法を採用するコード間の比較では、時間発展を細かく計算することでコード間の差は埋まっていき、一定の収束値を持つことが示された。この結果は今後開発される同分野のコードのベンチマークデータとして有用なものであるだけでなく、原子核基礎物理学の実験や理論研究の標準的な指針としても役に立つことが期待される。

論文

First observation of a shape isomer and a low-lying strongly-coupled prolate band in neutron-deficient semi-magic $$^{187}$$Pb

Zhang, W. Q.*; Andreyev, A. N.; Liu, Z.*; Seweryniak, D.*; Huang, H.*; Li, Z. H.*; Li, J. G.*; Guo, C. Y.*; 他34名*

Physics Letters B, 829, p.137129_1 - 137129_7, 2022/06

https://doi.org/10.1016/j.physletb.2022.137129
 被引用回数：3 パーセンタイル：87.48(Astronomy & Astrophysics)

Prompt and delayed $$gamma$$-ray spectroscopy of the neutron-deficient, semi-magic isotope $$^{187}$$Pb has been performed at the Argonne Gas-Filled Analyzer. A new 5.15(15)-$$mu$$s isomeric state at only 308 keV above the spherical 3/2$$^{-}$$ ground state is identified and classified as a shape isomer. A strongly-coupled band is observed on top of the isomer, which is nearly identical to the one built on the prolate 7/2$$^{-}$$[514] Nilsson state in the isotone $$^{185}$$Hg. Based on this similarity and on the result of the potential-energy surface calculations, the new isomer in $$^{187}$$Pb is proposed to originate from the same configuration. The retarded character of the 308-keV transition can be well explained by the significant difference between the prolate parent and spherical daughter configurations, leading to the shape isomerism. The combined results of the present work and the previous $$alpha$$-decay and laser spectroscopy studies present evidence for triple shape coexistence at low energy in the negative-parity configurations of $$^{187}$$Pb, which is well reproduced by the potential-energy surface calculations.

論文

Metalloid substitution elevates simultaneously the strength and ductility of face-centered-cubic high-entropy alloys

Wei, D.*; Wang, L.*; Zhang, Y.*; Gong, W.; 都留 智仁; Lobzenko, I.; Jiang, J.*; Harjo S.; 川崎 卓郎; Bae, J. W.*; et al.

Acta Materialia, 225, p.117571_1 - 117571_16, 2022/02

https://doi.org/10.1016/j.actamat.2021.117571
 被引用回数：39 パーセンタイル：99.78(Materials Science, Multidisciplinary)

Recently-developed high-entropy alloys (HEAs) containing multiple principal metallic elements have ex-tended the compositional space of solid solutions and the range of their mechanical properties. Here we show that the realm of possibilities can be further expanded through substituting the constituent metals with metalloids, which are desirable for tailoring strength/ductility because they have chemical interactions and atomic sizes distinctly different from the host metallic elements. Specifically, the metalloid substitution increases local lattice distortion and short-range chemical inhomogeneities to elevate strength, and in the meantime reduces the stacking fault energy to discourage dynamic recovery and encourage defect accumulation via partial-dislocation-mediated activities. These impart potent dislocation storage to improve the strain hardening capability, which is essential for sustaining large tensile elongation. As such, metalloid substitution into HEAs evades the normally expected strength-ductility trade-off, enabling an unusual synergy of high tensile strength and extraordinary ductility for these single-phase solid solutions.

論文

Structure of an aqueous RbCl solution in the gigapascal pressure range by neutron diffraction combined with empirical potential structure refinement modeling

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

https://doi.org/10.1016/j.molliq.2021.118080
 被引用回数：1 パーセンタイル：45.59(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。

論文

Modelling and simulation of the source term for a sodium cooled fast reactor under hypothetical severe accident conditions; Final report of a coordinated research project

Arokiaswamy, J. A.*; Batra, C.*; Chang, J. E.*; Garcia, M.*; Herranz, L. E.*; Klimonov, I. A.*; Kriventsev, V.*; Li, S.*; Liegeard, C.*; Mahanes, J.*; et al.

IAEA-TECDOC-2006, 380 Pages, 2022/00

https://www.iaea.org/publications/15086/modelling-and-simulation-of-the-source-term-for-a-sodium-cooled-fast-reactor-under-hypothetical-severe-accident-conditions

IAEAの共同研究プロジェクト「シビアアクシデント条件下におけるプロトタイプナトリウム冷却高速炉からの放射性物質の放出」は、シビアアクシデント条件下における、リファレンスとなるナトリウム冷却高速炉の施設内における放射性物質および燃料粒子の存在量の、異なる時間スケールにおける現実的な数値シミュレーションを目的として実施された。解析のスコープは3つに分割され、3つのワークパッケージ(WP)として定義された:(1)炉内ソースターム評価、(2)一次系/格納容器系境界のソースターム評価、および(3)格納容器内の現象分析。WP-1の参加機関の結果を比較すると、希ガスおよび放射性セシウムの放出割合、およびカバーガスへの放射性核種の放出割合はよく一致した。共通の圧力履歴を用いたWP-2の解析では、各機関の解析結果はよく一致し、いずれの機関の解析手法も同程度の精度を有することが示された。先行するWPにおける解析と分離するため、放出割合をあらかじめ設定したスタンドアロンケースがWP-3にて定義された。WP-3の全参加機関によるスタンドアロンケースの解析結果は全般的に一致した。

論文

Crystalline fully carboxylated polyacetylene obtained under high pressure as a Li-ion battery anode material

Wang, X.*; Tang, X.*; Zhang, P.*; Wang, Y.*; Gao, D.*; Liu, J.*; Hui, K.*; Wang, Y.*; Dong, X.*; 服部 高典; et al.

Journal of Physical Chemistry Letters (Internet), 12(50), p.12055 - 12061, 2021/12

https://doi.org/10.1021/acs.jpclett.1c03734
 被引用回数：4 パーセンタイル：42.16(Chemistry, Physical)

置換ポリアセチレンは、ポリアセチレン骨格の化学的安定性,物性,付加機能の向上が期待されるが、その多様性は非常に限られている。今回我々は、固体のアセチレンジカルボン酸に外圧を加えることにより、従来の方法では合成が非常に困難であったトランス-ポリアセチレン骨格上のすべての炭素がカルボキシル基に結合した結晶性のポリ-ジカルボキシルアセチレンができることを報告する。重合は、水素結合を利用したトポケミカル反応であった。このユニークな構造は、カルボニル基の極めて高い含有量とポリアセチレン骨格の高い導電性を組み合わせたもので、リチウムイオン電池(LIB)負極として高い比容量と優れたサイクル/レート性能を示す。我々は、完全に機能化された結晶性ポリアセチレンを紹介し、高分子LIB材料や活性基を多く含む高分子材料合成のために圧力重合が有力な方法であることを提案する。

論文

Long decay length of magnon-polarons in BiFeO$$_{3}$$/La$$_{0.67}$$Sr$$_{0.33}$$MnO$$_{3}$$ heterostructures

Zhang, J.*; Chen, M.*; Chen, J.*; 山本 慧; Wang, H.*; Hamdi, M.*; Sun, Y.*; Wagner, K.*; He, W.*; Zhang, Y.*; et al.

Nature Communications (Internet), 12, p.7258_1 - 7258_8, 2021/12

https://doi.org/10.1038/s41467-021-27405-2
 被引用回数：8 パーセンタイル：72.26(Multidisciplinary Sciences)

Magnons can transfer information in metals and insulators without Joule heating, and therefore are promising for low-power computation. The on-chip magnonics however suffers from high losses due to limited magnon decay length. In metallic thin films, it is typically on the tens of micrometre length scale. Here, we demonstrate an ultra-long magnon decay length of up to one millimetre in multiferroic/ferromagnetic BiFeO$$_{3}$$(BFO)/La$$_{0.67}$$Sr$$_{0.33}$$MnO$$_{3}$$ (LSMO) heterostructures at room temperature. This decay length is attributed to a magnon-phonon hybridization and is more than two orders of magnitude longer than that of bare metallic LSMO. The long-distance modes have high group velocities of 2.5 km$$^{-1}$$ as detected by time-resolved Brillouin light scattering. Numerical simulations suggest that magnetoelastic coupling via the BFO/LSMO interface hybridizes phonons in BFO with magnons in LSMO. Our results provide a solution to the long-standing issue on magnon decay lengths in metallic magnets and advance the bourgeoning field of hybrid magnonics.

論文

Phase transition and chemical reactivity of 1H-tetrazole under high pressure up to 100 GPa

Gao, D.*; Tang, X.*; Wang, X.*; Yang, X.*; Zhang, P.*; Che, G.*; Han, J.*; 服部 高典; Wang, Y.*; Dong, X.*; et al.

Physical Chemistry Chemical Physics, 23(35), p.19503 - 19510, 2021/09

https://doi.org/10.1039/D1CP02913D
 被引用回数：4 パーセンタイル：53.02(Chemistry, Physical)

窒素に富む分子の圧力有機相転移や重合は、環境にやさしい高エネルギー密度材料の開発にとって非常に重要であるため、広く注目されている。本論文では、その場ラマン,IR,X線回折,中性子回折、および理論計算をもちい、100GPaまでの1H-テトラゾールの相転移挙動と化学反応の研究を紹介する。2.6GPa以上での相転移が確認され、その高圧構造は、以前に報告されたユニットセル内に2つの分子をもつものではなく、1つの分子をものであることが分かった。1H-テトラゾールは、おそらく窒素-窒素結合ではなく炭素-窒素結合により、100GPa以下で可逆的に重合する。私たちの研究は、1H-テトラゾールの高圧相の構造モデルを更新し、もっともらしい分子間結合の経路を初めて提示した。これにより、窒素に富む化合物の相転移と化学反応の理解が進み、新しい高エネルギー密度材料の設計に役立つと考えられる。

論文

New $$alpha$$-emitting isotope $$^{214}$$U and abnormal enhancement of $$alpha$$-particle clustering in lightest uranium isotopes

Zhang, Z. Y.*; Yang, H. B.*; Andreyev, A. N.; Liu, M. L.*; Ma, L.*; 他37名*

Physical Review Letters, 126(15), p.152502_1 - 152502_6, 2021/04

https://doi.org/10.1103/PhysRevLett.126.152502
 被引用回数：27 パーセンタイル：96.61(Physics, Multidisciplinary)

A new $$alpha$$-emitting isotope $$^{214}$$U, produced by the fusion-evaporation reaction $$^{182}$$W($$^{36}$$Ar,4n)$$^{214}$$U, was identified by employing the gas-filled recoil separator SHANS and the recoil-$$alpha$$ correlation technique. More precise $$alpha$$-decay properties of even-even nuclei $$^{216,218}$$U were also measured in the reactions of $$^{40}$$Ar, $$^{40}$$Ca beams with $$^{180,182,184}$$W targets. By combining the experimental data, improved $$alpha$$-decay reduced widths $$delta$$$$^{2}$$ for the even-even Po-Pu nuclei in the vicinity of the magic neutron number ${it N}$ = 126 are deduced. Their systematic trends are discussed in terms of the ${it N}$ $$_{it p}$$ ${it N}$ $$_{it n}$$ scheme in order to study the influence of proton-neutron interaction on $$alpha$$ decay in this region of nuclei. It is strikingly found that the reduced widths of $$^{214,216}$$U are significantly enhanced by a factor of two as compared with the ${it N}$ $$_{it p}$$ ${it N}$ $$_{it n}$$ systematics for the 84 $$leq$$ ${it Z}$ $$leq$$ 90 and ${it N}$ $$<$$ 126 even-even nuclei. The abnormal enhancement is interpreted by the strong monopole interaction between the valence protons and neutrons occupying the $$pi$$1${it f}$ $$_{7/2}$$ and $$nu$$1${it f}$ $$_{5/2}$$ spin-orbit partner orbits, which is supported by the large-scale shell model calculation.

論文

Field-tuned magnetic structure and phase diagram of the honeycomb magnet YbCl$$_3$$

Hao, Y. Q.*; Wo, H. L.*; Gu, Y. M.*; Zhang, X. W.*; Gu, Y. Q.*; Zheng, S. Y.*; Zhao, Y.*; Xu, G. Y.*; Lynn, J. W.*; 中島 健次; et al.

Science China; Physics, Mechanics & Astronomy, 64(3), p.237411_1 - 237411_6, 2021/03

https://doi.org/10.1007/s11433-020-1626-3
 被引用回数：3 パーセンタイル：52.75(Physics, Multidisciplinary)

We report thermodynamic and neutron diffraction measurements on the magnetic ordering properties of the honeycomb lattice magnet YbCl$$_3$$. We find YbCl$$_3$$ exhibits a N${'e}$el type long-range magnetic order at the wavevector (0, 0, 0) below T$$_N$$ = 600 mK. This magnetic order is associated with a small sharp peak in heat capacity and most magnetic entropy release occurs above the magnetic ordering temperature. The magnetic moment lies in-plane, parallel to the monoclinic a-axis, whose magnitude m$$_{rm Yb}$$ = 0.86(3) $$mu_B$$ is considerably smaller than the expected fully ordered moment of 2.24 $$mu_B$$ for the doublet crystal-field ground state. The magnetic ordering moment gradually increases with increasing magnetic field perpendicular to the ab-plane, reaching a maximum value of 1.6(2) $$mu_B$$ at 4 T, before it is completely suppressed above $$sim$$9 T. These results indicate the presence of strong quantum fluctuations in YbCl$$_3$$.

論文

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

https://doi.org/10.1016/j.chempr.2020.10.023
 被引用回数：121 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.

論文

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

https://doi.org/10.1021/acs.nanolett.0c04244
 被引用回数：24 パーセンタイル：94.49(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.

論文

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

https://doi.org/10.1016/j.scriptamat.2020.07.004
 被引用回数：43 パーセンタイル：97.2(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.

論文

Distance-selected topochemical dehydro-diels-alder reaction of 1,4-Diphenylbutadiyne toward crystalline graphitic nanoribbons

Zhang, P.*; Tang, X.*; Wang, Y.*; Wang, X.*; Gao, D.*; Li, Y.*; Zheng, H.*; Wang, Y.*; Wang, X.*; Fu, R.*; et al.

Journal of the American Chemical Society, 142(41), p.17662 - 17669, 2020/10

https://doi.org/10.1021/jacs.0c08274
 被引用回数：15 パーセンタイル：72.59(Chemistry, Multidisciplinary)

固体トポケミカル重合(SSTP)は機能的な結晶性高分子材料を合成するための有望な方法であるが、溶液中で起こるさまざまな反応とは対照的に、非常に限られたタイプのSSTP反応しか報告されていない。ディールス・アルダー(DA)および脱水素-DA(DDA)反応は、溶液中で六員環を作るための教科書的反応であるが、固相合成ではほとんど見られない。本研究では、固体の1,4-ジフェニルブタジイン(DPB)を10-20GPaに加圧することで、フェニル基がジエノフィルとして、DDA反応することを複数の最先端の手法を用いて明らかにした。臨界圧力での結晶構造は、この反応が「距離選択的」であることを示している。つまり、フェニルとフェニルエチニル間の距離3.2${AA}$は、DDA反応は起こせるが、他のDDAや1,4-付加反応で結合を形成するには長すぎる。回収された試料は結晶性の肘掛け椅子型のグラファイトナノリボンであるため、今回の研究結果は、原子スケールの制御で結晶質炭素材料を合成するための新しい道を開く。

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