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Baccou, J.*; Glantz, T.*; Ghione, A.*; Sargentini, L.*; Fillion, P.*; Damblin, G.*; Sueur, R.*; Iooss, B.*; Fang, J.*; Liu, J.*; et al.
Nuclear Engineering and Design, 421, p.113035_1 - 113035_16, 2024/05
In the Best-Estimate Plus Uncertainty (BEPU) framework, the use of best-estimate code requires to go through a Verification, Validation and Uncertainty Quantification process (VVUQ). The relevance of the experimental data in relation to the physical phenomena of interest in the VVUQ process is crucial. Adequacy analysis of selected experimental databases addresses this problem. The outcomes of the analysis can be used to select a subset of relevant experimental data, to encourage designing new experiments or to drop some experiments from a database because of their substantial lack of adequacy. The development of a specific transparent and reproducible approach to analyze the relevance of experimental data for VVUQ still remains open and is the topic of this contribution. In this paper, the concept of adequacy initially introduced in the OECD/NEA SAPIUM (Systematic APproach for model Input Uncertainty quantification Methodology) activity is formalized. It is defined through two key properties, called representativeness and completeness, that allows considering the multifactorial dimension of the adequacy problem. A new systematic approach is then proposed to analyze the adequacy of a set of experimental databases. It relies on the introduction of two sets of criteria to characterize representativeness and completeness and on the use of multi-criteria decision analysis method to perform the analysis. Finally, the approach is applied in the framework of the new OECD/NEA ATRIUM activity which includes a set of practical IUQ exercises in thermal-hydraulics to test the SAPIUM guideline in determining input uncertainties and forward propagating them on an application case. It allows evaluating the adequacy of eight experimental databases coming from the Super Moby-dick, Sozzi-Sutherland and Marviken experiments and identifying the most adequate ones.
FCC hierarchical martensite transformation under dynamic impact in FeMnAlNiTi alloyLi, C.*; Fang, W.*; Yu, H. Y.*; Peng, T.*; Yao, Z. T.*; Liu, W. G.*; Zhang, X.*; 徐 平光; Yin, F.*
Materials Science & Engineering A, 892, p.146096_1 - 146096_11, 2024/02
被引用回数：0 パーセンタイル：0.04(Nanoscience & Nanotechnology)The quasi-static superelastic responses and hierarchical martensite transformation from body-centered cubic (BCC) to face-centered cubic (FCC) under dynamic impact in Fe
Mn
Al
Ni
Ti
alloys were investigated. Polycrystalline and oligocrystalline alloys were produced through solution heat treatment and cyclic heat treatment processes, respectively. The results show the volume fraction of residual martensite for oligocrystalline alloys is lower, which exhibits better superelastic responses compared with polycrystalline alloys. Dynamic impact tests indicate that, despite the weakening of the grain boundary strengthening effect, the ultimate strength of the oligocrystalline alloys closely matches that of the polycrystalline alloys under dynamic impact. The martensite transformation of the FeMnAlNiTi alloy is characterized as hierarchical under dynamic impact, and increasing strain rates and grain sizes can enhance the BCC FCC martensite transformation, resulting in higher martensite phase fractions for oligocrystalline alloys. The increase in ultimate strength is attributed to the dynamic Hall-Petch effect introduced by more martensite phase interfaces under dynamic impact.
Zhang, A.*; Deng, K.*; Sheng, J.*; Liu, P.*; Kumar, S.*; 島田 賢也*; Jiang, Z.*; Liu, Z.*; Shen, D.*; Li, J.*; et al.
Chinese Physics Letters, 40(12), p.126101_1 - 126101_8, 2023/12
被引用回数：1 パーセンタイル：0(Physics, Multidisciplinary)In a Dirac semimetal, the massless Dirac fermion has zero chirality, leading to surface states connected adiabatically to a topologically trivial surface state as well as vanishing anomalous Hall effect. Recently, itis predicted that in the nonrelativistic limit of certain collinear antiferromagnets, there exists a type of chiral "Dirac-like" fermion, whose dispersion manifests four-fold degenerate crossing points formed by spin-degenerate linear bands, with topologically protected Fermi arcs. Here, by combining with neutron diffraction and first-principles calculations, we suggest a multidomain collinear antiferromagnetic configuration, rendering the existence of the Fermi-arc surface states induced by chiral Dirac-like fermions.
TaS
Park, P.*; Cho, W.*; Kim, C.*; An, Y.*; Kang, Y.-G.*; Avdeev, M.*; Sibille, R.*; 飯田 一樹*; 梶本 亮一; Lee, K. H.*; et al.
Nature Communications (Internet), 14, p.8346_1 - 8346_9, 2023/12
被引用回数：0 パーセンタイル：0(Multidisciplinary Sciences)The triangular lattice antiferromagnet (TLAF) has been the standard paradigm of frustrated magnetism for several decades. The most common magnetic ordering in insulating TLAFs is the 120
structure. However, a new triple-
chiral ordering can emerge in metallic TLAFs, representing the short wavelength limit of magnetic skyrmion crystals. We report the metallic TLAF CoTaS as the first example of tetrahedral triple- magnetic ordering with the associated topological Hall effect (non-zero 
). We also present a theoretical framework that describes the emergence of this magnetic ground state, which is further supported by the electronic structure measured by angle-resolved photoemission spectroscopy. Additionally, our measurements of the inelastic neutron scattering cross section are consistent with the calculated dynamical structure factor of the tetrahedral triple- state.
; Bandgap narrowing, metallization, and remarkable enhancement of photoelectric activityFang, 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：1 パーセンタイル：0(Materials Science, Multidisciplinary)層状ファンデルワールスハライドは、外部圧力に対して特に敏感であるため、目的とする性質を持つ構造にチューンすることが可能となる。一方で、圧力に非常に敏感であるという特性は、同時に目的とする機能の実現に有害な相転移や格子歪みを引き起こす可能性があるためその操作は依然として困難である。この研究では、層状RhI結晶が持つ極めて弱い層間結合と高い機能可変性を観察した。5GPaという適度な圧力をかけると圧力誘起相転移が起こり、積層構造に変化が現れた。驚くべきことに、この相転移は、圧力に対してほぼ直線的なバンドギャップ減少という傾向に影響を与えなかった。また、より高い圧力では、1.3eVの赤方偏移というかなり大きな調整幅を伴う金属相が観測された。さらに、RhIのキャリア濃度は30GPaで4桁増加し、光電流は7.8GPaで5桁増加することが確認された。これらの結果は、ファンデルワールスハライドの層状構造という特異な特徴を生かした探索、調整、理解のための新たな機会を創出し、原子レベルの薄さを持つマテリアルバイデザインに基づく将来のデバイスとして有望である。
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：4 パーセンタイル：85.05(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 
region, FCG rate was dramatically accelerated by corrosion, but the gap narrows as 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.
decay of the 8
isomer in 
UZhang, 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
被引用回数：2 パーセンタイル：52.69(Physics, Nuclear)The extremely neutron-deficient even-even uranium isotopes U were produced in the complete-fusion reactions induced by impinging 
Ar and Ca ions on 
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--correlation method. In this paper, we report on new -decay activities with 
keV for 
U and 
keV for 
U, which decay from the 8 isomeric states of U into the 2 states of their daughter nuclei 
Th, respectively. The new results extend the systematics of the -decay fine structure for the 
= 124 and 126 even-even isotones.
PbZhang, 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
被引用回数：4 パーセンタイル：76.34(Astronomy & Astrophysics)Prompt and delayed 
-ray spectroscopy of the neutron-deficient, semi-magic isotope Pb has been performed at the Argonne Gas-Filled Analyzer. A new 5.15(15)-
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 
Hg. Based on this similarity and on the result of the potential-energy surface calculations, the new isomer in 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 -decay and laser spectroscopy studies present evidence for triple shape coexistence at low energy in the negative-parity configurations of Pb, which is well reproduced by the potential-energy surface calculations.
Brumm, S.*; Gabrielli, F.*; Sanchez-Espinoza, V.*; Groudev, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; Bocanegra, R.*; Herranz, L. E.*; Berda
, M.*; et al.
Proceedings of 10th European Review Meeting on Severe Accident Research (ERMSAR 2022) (Internet), 13 Pages, 2022/05
The current HORIZON-2020 project on "Management and Uncertainties of Severe Accidents (MUSA)" aims at applying Uncertainty Quantification (UQ) in the modeling of Severe Accidents (SA), particularly in predicting the radiological source term of mitigated and unmitigated accident scenarios. Within its application part, the project is devoted to the uncertainty quantification of different severe accident codes when predicting the radiological source term of selected severe accident sequences of different nuclear power plant designs, e.g. PWR, VVER, and BWR. Key steps for this investigation are, (a) the selection of severe accident sequences for each reactor design, (b) the development of a reference input model for the specific design and SA-code, (c) the selection of a list of uncertain model parameters to be investigated, (d) the choice of an UQ-tool e.g. DAKOTA, SUSA, URANIE, etc., (e) the definition of the figures of merit for the UA-analysis, (f) the performance of the simulations with the SA-codes, and, (g) the statistical evaluation of the results using the capabilities, i.e. methods and tools offered by the UQ-tools. This paper describes the project status of the UQ of different SA codes for the selected SA sequences, and the technical challenges and lessons learnt from the preparatory and exploratory investigations performed.
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
被引用回数：4 パーセンタイル：36.54(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。
Unc, A.*; Altdorff, D.*; Abakumov, E.*; Adl, S.*; Baldursson, S.*; Bechtold, M.*; Cattani, D. J.*; Firbank, L. G.*; Grand, S.*; Gudjonsdottir, M.*; et al.
Frontiers in Sustainable Food Systems (Internet), 5, p.663448_1 - 663448_11, 2021/07
被引用回数：33 パーセンタイル：94.29(Food Science & Technology)本レビュー論文では、関連分野を研究する科学者の意識調査と既存文献の調査を実施し、地球温暖化の加速が寒冷な北方地域を地域および世界の農業セクター拡大にとってますます魅力的なターゲットにしていることを明らかにした。ただし、こうした活動の持続可能な長期的発展は、信頼性のある関連知見に対し全てのステークホルダーが容易にアクセスできる場合にのみ実現できる、という共通認識があることも明らかになった。特に、北方地域における農業の拡大は、温室効果ガス収支や生物多様性、生態系サービスに対し、負の影響をもたらす傾向にあることが明らかになってきている。以上より、寒冷な北方地域における農業の拡大と強化は、社会的な向上とニュートラルな環境影響とを両立できる計画の下で遂行される必要がある。
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
被引用回数：6 パーセンタイル：61.42(Physics, Multidisciplinary)We report thermodynamic and neutron diffraction measurements on the magnetic ordering properties of the honeycomb lattice magnet YbCl. We find YbCl exhibits a N
el type long-range magnetic order at the wavevector (0, 0, 0) below T
= 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
= 0.86(3) 
is considerably smaller than the expected fully ordered moment of 2.24 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) at 4 T, before it is completely suppressed above 
9 T. These results indicate the presence of strong quantum fluctuations in YbCl.
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：194 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
-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.
decay of 
USun, M. D.*; Liu, Z.*; Huang, T. H.*; Zhang, W. Q.*; Andreyev, A. N.; Ding, B.*; Wang, J. G.*; Liu, X. Y.*; Lu, H. Y.*; Hou, D. S.*; et al.
Physics Letters B, 800, p.135096_1 - 135096_5, 2020/01
被引用回数：11 パーセンタイル：79.42(Astronomy & Astrophysics)Fine structure in the decay of U was observed in the fusion-evaporation reaction Re(Ar,p3n) by using fast digital pulse processing technique. Two -decay branches of U feeding the ground state and 244 keV excited state of 
Th were identified by establishing the decay chain UTh
Ra
Rn. The -particle energy for the ground-state to ground-state transition of U was determined to be 8993(17) keV, 213 keV higher than the previous value, the half-life was updated to be 62
s. Evolution of nuclear structure for =131 even-
isotones from Po to U was discussed in the frameworks of nuclear mass and reduced -decay width, a weakening octupole deformation in the ground state of U relative to its lighter isotones Ra and Th was suggested.
Sn; First measurement of low-lying 
-emitting isomers in 
AgChen, Z. Q.*; Li, Z. H.*; Hua, H.*; 渡邉 寛*; Yuan, C. X.*; Zhang, S. Q.*; Lorusso, G.*; Orlandi, R.; 他60名*
Physical Review Letters, 122(21), p.212502_1 - 212502_6, 2019/05
被引用回数：20 パーセンタイル：77.32(Physics, Multidisciplinary)-delayed -ray spectroscopy of the neutron-rich isotopes Ag was carried out at RIBF, RIKEN. The long predicted 1/2 emitting isomers were identified in both nuclei for the first time. The new experimental results extend the systematic trend of energy spacing between the lowest 9/2
and 1/2 levels in Ag isotopes up to N=78, providing a clear signal for the reduction of the Z=40 subshell gap in Ag towards N=82. The tensor force is found to play a key role in the reduction of the Z=40 sub-shell gap.
Yang, P.-J.*; Li, Q.-J.*; 都留 智仁; 尾方 成信*; Zhang, J.-W.*; Sheng, H.-W.*; Shan, Z.-W.*; Sha, G.*; Han, W.-Z.*; Li, J.*; et al.
Acta Materialia, 168, p.331 - 342, 2019/04
被引用回数：57 パーセンタイル：96.11(Materials Science, Multidisciplinary)ニオブなどの体心立方構造をもつ金属材料は低濃度の酸素固溶によって脆化しやすいことが知られているが、酸素誘起の硬化や損傷の機構は明らかになっていない。我々は、実験、および第一原理計算と分子動力学計算を用いて詳細な機構を検討した。その結果、酸素の格子間原子はらせん転位と引力相互作用を生じ、それによって転位運動でクロスキンクが生成され、同時に多くの空孔が生成されることを明らかにした。これらの空孔はさらに酸素と転位の三体間の硬化によって転位の運動を阻害することで、著しい硬化を生じることを明らかにした。
single unit-cell FeSe superconductor深谷 有喜; Zhou, G.*; Zheng, F.*; Zhang, P.*; Wang, L.*; Xue, Q.-K.*; 社本 真一
Journal of Physics; Condensed Matter, 31(5), p.055701_1 - 055701_6, 2019/02
被引用回数：5 パーセンタイル：27.39(Physics, Condensed Matter)本研究では、SrTiO基板上の単層FeSeの構造が上下方向に非対称化していることを報告する。SrTiO基板上の単層FeSeは、鉄系超伝導体において最も高い転移温度(50K以上)を示す。全反射高速陽電子回折(TRHEPD)を用いた構造解析の結果、真空側と界面側のSe-Fe層間隔は異なり、上下方向に非対称な構造であることがわかった。これらの層間隔および結合角の平均値は、圧力下のバルクFeSeにおいて高い転移温度を示す最適値と一致している。したがって、SrTiO基板上の単層FeSeは非対称化することにより高い転移温度を発現するための最適構造を形成したと考えられる。
Dost
l, M.*; Rossiter, G.*; Dethioux, A.*; Zhang, J.*; 天谷 政樹; Rozzia, D.*; Williamson, R.*; Kozlowski, T.*; Hill, I.*; Martin, J.-F.*
Proceedings of Annual Topical Meeting on Reactor Fuel Performance (TopFuel 2018) (Internet), 10 Pages, 2018/10
The benchmark on PCMI was initiated by OECD/NEA Expert Group on Reactor Fuel Performance (EGRFP) in June 2015 and is currently in the latter stages of compiling results and preparing the final report. The aim of the benchmark is to improve understanding and modelling of PCMI amongst NEA member organisations. This is being achieved by comparing PCMI predictions of different fuel performance codes for a number of cases. Two of these cases are hypothetical cases aiming to facilitate understanding of the effects of code-to-code differences in fuel performance models. The two remaining cases are actual irradiations, where code predictions are compared with measured data. During analysis of participants' results of the hypothetical cases, the assumptions for number of radial pellet cracks and the pellet-clad friction coefficient (which can be zero, finite or infinite) were identified to be important factors in explaining differences between predictions once pellet-cladding contact occurs. However, these parameters varied in the models and codes used originally by the participants. This fact led to the extension of the benchmark by inclusion of two additional cases, where the number of radial pellet cracks and three different values of the friction coefficient were prescribed in the case definition. Seven calculations from six organisations contributed results were compared and analysed in this paper.
Wu, P.*; Zhang, B.*; Peng, K. L.*; 萩原 雅之*; 石川 喜久*; 古府 麻衣子; Lee, S. H.*; 組頭 広志*; Hu, C. S.*; Qi, Z. M.*; et al.
Physical Review B, 98(9), p.094305_1 - 094305_7, 2018/09
被引用回数：11 パーセンタイル：45.99(Materials Science, Multidisciplinary)熱電材料であるNaドープしたSnSeについて、ARPES, 中性子回折, 中性子非弾性散乱でその電子構造と格子ダイナミクスを測定した結果を報告する。
Li, B.; Wang, H.*; 川北 至信; Zhang, Q.*; Feygenson, M.*; Yu, H. L.*; Wu, D.*; 尾原 幸治*; 菊地 龍弥*; 柴田 薫; et al.
Nature Materials, 17(3), p.226 - 230, 2018/03
被引用回数：121 パーセンタイル：96.83(Chemistry, Physical)As a generic property, all substances transfer heat through microscopic collisions of constituent particles. A solid conducts heat through both transverse and longitudinal acoustic phonons, but a liquid employs only longitudinal vibrations. As a result, a solid is usually thermally more conductive than a liquid. In canonical viewpoints, such a difference also serves as the dynamic signature distinguishing a solid from a liquid. Here, we report liquid-like thermal conduction observed in the crystalline AgCrSe. The transverse acoustic phonons are completely suppressed by the ultrafast dynamic disorder while the longitudinal acoustic phonons are strongly scattered but survive, and are thus responsible for the intrinsically ultralow thermal conductivity. This scenario is applicable to a wide variety of layered compounds with heavy intercalants in the van der Waals gaps, manifesting a broad implication on suppressing thermal conduction. These microscopic insights might reshape the fundamental understanding on thermal transport properties of matter and open up a general opportunity to optimize performances of thermoelectrics.
