JOPSS:検索結果一覧

論文

A Systematic approach for the adequacy analysis of a set of experimental databases: Application in the framework of the ATRIUM activity

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

https://doi.org/10.1016/j.nucengdes.2024.113035

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.

論文

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

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：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 Nel 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 $_{rm Yb}$ = 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.

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：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 $_{rm{SA}}$ -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

General synthesis of single-atom catalysts for hydrogen evolution reactions and room-temperature Na-S batteries

Lai, W.-H.*; Wang, H.*; Zheng, L.*; Jiang, Q.*; Yan, Z.-C.*; Wang, L.*; 吉川浩史*; 松村大樹; Sun, Q.*; Wang, Y.-X.*; et al.

Angewandte Chemie; International Edition, 59(49), p.22171 - 22178, 2020/12

https://doi.org/10.1002/anie.202009400

被引用回数：77 パーセンタイル：95.81(Chemistry, Multidisciplinary)

Herein, we report a comprehensive strategy to synthesize a full range of single-atom metals on carbon matrix, including V, Mn, Fe, Co, Ni, Cu, Ge, Mo, Ru, Rh, Pd, Ag, In, Sn, W, Ir, Pt, Pb, and Bi. The extensive applications of various single-atom catalysts (SACs) are manifested via their ability to electro-catalyze typical hydrogen evolution reactions (HER) and conversion reactions in novel room-temperature sodium sulfur batteries (RT-Na-S). The enhanced performances for these electrochemical reactions arisen from the ability of different single active atoms on local structures to tune their electronic configuration. Significantly, the electrocatalytic behaviors of diverse SACs, assisted by density functional theory calculations, are systematically revealed by in situ synchrotron X-ray diffraction and in situ transmission electronic microscopy, providing a strategic library for the general synthesis and extensive applications of SACs in energy conversion and storage.

論文

Pressure-induced Diels-Alder reactions in C $_{6}$ H $_{6}$ - C $_{6}$ F $_{6}$ cocrystal towards graphane structure

Wang, Y.*; Dong, X.*; Tang, X.*; Zheng, H.*; Li, K.*; Lin, X.*; Fang, L.*; Sun, G.*; Chen, X.*; Xie, L.*; et al.

Angewandte Chemie; International Edition, 58(5), p.1468 - 1473, 2019/01

https://doi.org/10.1002/anie.201813120

被引用回数：35 パーセンタイル：80.07(Chemistry, Multidisciplinary)

芳香族の圧力誘起重合反応(PIP)は、sp $^{3}$ 炭素骨格を構築するための新しい方法であり、ベンゼンとその誘導体を圧縮することによってダイヤモンド様構造を有するナノスレッドを合成した。ここで、ベンゼン-ヘキサフルオロベンゼン共結晶(CHCF)を圧縮することにより、PIP生成物中に層状構造を有するH-F置換グラフェンを同定した。その場中性子回折から決定された結晶構造およびガスクロマトグラフィー質量スペクトルによって同定された中間生成物に基づいて、20GPaでは、CHCFがベンゼンおよびヘキサフルオロベンゼンを交互に積み重ねた傾斜カラムを形成し、それらが[4+2]重合体に転化し、次いで、短距離秩序を持つ水素化フッ素化グラフェンに変化する。反応プロセスは[4+2]ディールス-アルダー, レトロディールス-アルダー、および1-1'カップリング反応を含み、前者はPIPの重要な反応である。われわれの研究は、CHCFの素反応を初めて確認した。これは、芳香族化合物のPIPについての新しい見方を提供する。

論文

In-beam spectroscopy of the even-even nucleus $^{190}$ Pt

Li, G. S.*; Liu, M. L.*; Zhou, X. H.*; Zhang, Y. H.*; Liu, Y. X.*; Zhang, N. T.*; Hua, W.*; Zheng, Y. D.*; Fang, Y. D.*; Guo, S.*; et al.

Physical Review C, 89(5), p.054303_1 - 054303_9, 2014/05

https://doi.org/10.1103/PhysRevC.89.054303

被引用回数：5 パーセンタイル：38.03(Physics, Nuclear)

タンデム加速器で88MeVにまで加速された $^{18}$ Oビームを用いて $^{176}$ Yb( $^{18}$ O, 4)反応を起こし、 $^{190}$ Ptの高スピン準位を調べた。その結果、 $i^{-2}_{13/2}$ $h^{-1}_{9/2}$ $j^{-1}$ 1(ここでは $nu p_{3/2}$ もしくは $nu f_{5/2}$ )配位による正パリティバンドを大幅に拡張するとともに新しく負パリティバンドを同定し、 $i^{-3}_{13/2}$ $j^{-1}$ 配位を持つことを明らかにした。また、イラスト準位においてスピンの増加に伴い振動から回転へと構造変化を起こしている可能性について議論した。さらにバンド特性を明らかにするためにTotal Routhian surface計算を行った。

論文

Signature inversion in the 7/2[503] band of $^{185}$ Pt

Li, G. S.*; Zhou, X. H.*; Zhang, Y. H.*; Zheng, Y.*; Liu, M. L.*; Hua, W.*; Zhou, H. B.*; Ding, B.*; Wang, H. X.*; Lei, X. G.*; et al.

Journal of Physics G; Nuclear and Particle Physics, 38(9), p.095105_1 - 095105_9, 2011/09

https://doi.org/10.1088/0954-3899/38/9/095105

被引用回数：1 パーセンタイル：11.77(Physics, Nuclear)

$^{185}$ Ptの高スピン状態をタンデム加速器と多重線検出装置GEMINI-IIを用いて調べた。低スピン指標逆転現象が7/2[503]バンドで観測された。この現象は、中性子が7/2[503]軌道から7/2[514]軌道に移ることによって起こるという解釈は、DonauとFrauendorfの反古典的近似による計算結果によって支持された。

論文

A Numerical matching technique for linear resistive magnetohydrodynamics modes

古川勝*; 徳田伸二; Zheng, L. J.*

Physics of Plasmas, 17(5), p.052502_1 - 052502_15, 2010/05

https://doi.org/10.1063/1.3420244

被引用回数：6 パーセンタイル：23.51(Physics, Fluids & Plasmas)

A new numerical matching technique for linear stability analysis of resistive magnetohydrodynamics (MHD) modes is developed. The solution to the resistive reduced MHD equations in an inner layer with a finite width is matched onto the solution to the inertia-less ideal MHD or the Newcomb equation by imposing smooth disappearance of parallel electric field in addition to the continuity of perturbed magnetic field and its spatial gradient.

口頭

Progress of understanding negative triangular tokamak configuration

菊池満; Fasoli, A.*; 滝塚知典*; Diamond, P.*; Medvedev, S.*; Duan, X.*; 図子秀樹*; 古川勝*; 岸本泰明*; Wu, Y.*; et al.

no journal, ,

トカマクにおける標準的なD型Hモードプラズマシナリオは熱粒子制御の観点からは課題を含んでいる。革新的なトカマク配位として負三角度の可能性が菊池等によって議論されている。CRPP-EPFLによる負三角度プラズマの実験と理論研究で閉じ込め改善が報告されており、負三角度配位はSOL流速の低減が示唆される。近年のタイプII ELMやグラッシーELMの理論研究によると第2安定化領域へのアクセスを閉じることと運動論的効果が小ELMの達成に重要であることがわかってきた。Medvedevによると負三角度では第2安定化領域への窓が閉じることが分かっている。講演では、これらを含む最近の理解進展をまとめる。

発表形式

掲載資料名

発表会議名

筆頭著者名

キーワード

使用言語

発行年

開催年