Uncertainty quantification for severe-accident reactor modelling; Results and conclusions of the MUSA reactor applications work package

Brumm, S.*; Gabrielli, F.*; Sanchez Espinoza, V.*; Stakhanova, A.*; Groudev, P.*; Petrova, P.*; Vryashkova, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; et al.

Annals of Nuclear Energy, 211, p.110962_1 - 110962_16, 2025/02

https://doi.org/10.1016/j.anucene.2024.110962

The completed Horizon-2020 project on "Management and Uncertainties of Severe Accidents (MUSA)" has reviewed uncertainty sources and Uncertainty Quantification methodology for the purpose of assessing Severe Accidents (SA). The key motivation of the project has been to bring the advantages of the Best Estimate Plus Uncertainty approach to the field of Severe Accident. The applications brought together a large group of participants that set out to apply uncertainty analysis (UA) within their field of SA modelling expertise, in particular reactor types, but also SA code used (ASTEC, MELCOR, etc.), uncertainty quantification tools used (DAKOTA, RAVEN, etc.), detailed accident scenarios, and in some cases SAM actions. This paper synthesizes the reactor-application work at the end of the project. Analyses of 23 partners are sorted into different categories, depending on whether their main goal is/are (i) uncertainty bands of simulation results; (ii) the understanding of dominating uncertainties in specific sub-models of the SA code; (iii) improving the understanding of specific accident scenarios, with or without the application of SAM actions; or, (iv) a demonstration of the tools used and developed, and of the capability to carry out an uncertainty analysis in the presence of the challenges faced. The partners' experiences made during the project have been evaluated and are presented as good practice recommendations. The paper ends with conclusions on the level of readiness of UA in SA modelling, on the determination of governing uncertainties, and on the analysis of SAM actions.

Spectral evidence for Dirac spinons in a kagome lattice antiferromagnet

Zeng, Z.*; Zhou, C.*; Zhou, H.*; Han, L.*; Chi, R.*; Li, K.*; 古府 麻衣子; 中島 健次; Wei, Y.*; Zhang, W.*; et al.

Nature Physics, 20(7), p.1097 - 1102, 2024/07

https://doi.org/10.1038/s41567-024-02495-z

Emergent quasiparticles with a Dirac dispersion in condensed matter systems can be described by the Dirac equation for relativistic electrons, in analogy with Dirac particles in high-energy physics. For example, electrons with a Dirac dispersion have been intensively studied in electronic systems such as graphene and topological insulators. However, charge is not a prerequisite for Dirac fermions, and the emergence of Dirac fermions without a charge degree of freedom has been theoretically predicted to be realized in Dirac quantum spin liquids. These quasiparticles carry a spin of 1/2 but are charge-neutral and so are called spinons. Here we show that the spin excitations of a kagome antiferromagnet, YCu(OD)Br[Br(OD)], are conical with a spin continuum inside, which is consistent with the convolution of two Dirac spinons. The predictions of a Dirac spin liquid model with a spinon velocity obtained from spectral measurements are in agreement with the low-temperature specific heat of the sample. Our results, thus, provide spectral evidence for a Dirac quantum spin liquid state emerging in this kagome lattice antiferromagnet. However, the locations of the conical spin excitations differ from those calculated by the nearest-neighbor Heisenberg model, suggesting the Dirac spinons have an unexpected origin.

Deformation mechanism of a strong and ductile maraging steel investigated using X-ray synchrotron diffraction

Li, H.*; Liu, Y.*; Zhao, W.*; Liu, B.*; 冨永 亜希; 菖蒲 敬久; Wei, D.*

International Journal of Plasticity, 165, p.103612_1 - 103612_20, 2023/06

https://doi.org/10.1016/j.ijplas.2023.103612

コバルトフリーのマルエージング鋼の強度特性を明らかにするために、高エネルギー放射光X線回折法を利用したその場引張試験を行った。マルテンサイト相とオーステナイト相からの回折プロファイルが得られ、それらの強度及び幅が負荷に伴い変化している様子が観察された。回折プロファイルを解析した結果、時効(as-aged)材では、低応力レベルにてマルテンサイトの含有量が緩やかに減少し、高応力レベルでは急激に減少した。一方、熱処理(as-solution)材では、応力の増加とともにオーステナイト相がマルテンサイト相に著しく転移変態している結果が得られた。これらのことがそれぞれの強度特性に起因していることを明らかにした。

High-sensitive XANES analysis at Ce L-edge for Ce in bauxites using transition-edge sensors; Implications for Ti-rich geological samples

Li, W.*; 山田 真也*; 橋本 直; 奥村 拓馬*; 早川 亮大*; 新田 清文*; 関澤 央輝*; 菅 大暉*; 宇留賀 朋哉*; 一戸 悠人*; et al.

Analytica Chimica Acta, 1240, p.340755_1 - 340755_9, 2023/02

https://doi.org/10.1016/j.aca.2022.340755

希土類元素は放射性元素であるアクチノイドのアナログ元素としてしばしば利用される。セリウム(Ce)は希土類元素の中でも+3価と+4価の両方をとり得る特別な元素である。環境試料中のCeの+3価と+4価の比を調べる手段としてX線吸収端近傍構造(XANES)が有力であったが、チタン濃度が高いと蛍光X線の干渉のために測定ができないという問題があった。本研究では、L吸収端だけでなくL吸収端を調べ、さらに新しい検出器であるtransition-edge sensor (TES)を利用することでこれまでは測定が難しかった試料も測定可能にした。この結果は様々な環境試料に応用可能である。

First observation of the decay of the 13/2 isomer in Hg and (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

The decay of the 13/2 isomeric state in Hg was observed for the first time following the decay of the 13/2 isomer in Pb produced in the NdCr reaction. Using - delayed coincidence measurements, the half-life of this isomer was measured to be 290(30) s. This isomer is proposed to deexcite by an unobserved low-energy 2 transition to the known 9/2 member of a strongly prolate-deformed 7/2[514] band, followed by a 105-keV 1 transition to the bandhead. A lower limit of B(2)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 Hg, suggesting both are cases of shape isomers. The B(2) systematics of neutron transitions across the nuclear chart is discussed.

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

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。

Ultra-fine CeO particles triggered strong interaction with LaFeO framework for total and preferential CO oxidation

Zheng, Y.*; Xiao, H.*; Li, K.*; Wang, Y.*; Li, Y.*; Wei, Y.*; Zhu, X.*; Li, H.-W.*; 松村 大樹; Guo, B.*; et al.

ACS Applied Materials & Interfaces, 12(37), p.42274 - 42284, 2020/09

https://doi.org/10.1021/acsami.0c10271

Interactions between the active components with the support are one of the fundamentally factors in determining the catalytic performance of a catalyst. In this study, we investigated the interaction between CeO and LaFeO, the two important oxygen storage materials in catalysis area, by tuning the sizes of CeO particles and highlight a two-fold effect of the strong oxide-oxide interaction in determining the catalytic activity and selectivity for preferential CO oxidation in hydrogen feeds. It is found that the anchoring of ultra-fine CeO particles at the framework of three-dimensional-ordered macroporous LaFeO surface results in a strong interaction between the two oxides that induces the formation of abundant uncoordinated cations and oxygen vacancy at the interface. This discovery demonstrates that in hybrid oxide-based catalysts, tuning the interaction among different components is essential for balancing the catalytic activity and selectivity.

Rules for flaw interaction for subsurface flaws in operating pressurized vessels; Technical basis of code case N-877

Lacroix, V.*; Dulieu, P.*; Blasset, S.*; Tiete, R.*; Li, Y.; 長谷川 邦夫; Bamford, W.*; Udyawar, A.*

Proceedings of 2018 ASME Pressure Vessels and Piping Conference (PVP 2018), 10 Pages, 2018/07

When multiple flaws are detected in pressure retaining components during inspection, the first step of evaluation consists of determining whether the flaws shall be combined into a single flaw or evaluated separately. This combination process is carried out in compliance with proximity rules given in the Fitness-for-Service (FFS) Codes. However, the specific criteria for the rules on combining multiple flaws into a single flaw are different among the FFS Codes. In this context, revised and improved criteria have been developed, to more accurately characterize the interaction between multiple subsurface flaws in operating pressure vessels. This improved approach removes some of the conservatism in the existing ASME Code approach, which was developed in the 1970s based on two flaws interacting with each other. This paper explains in detail the methodology used to derive improved flaw proximity rules through three-dimensional FEM and XFEM analyses. After the presentation of the calculations results and the improved criteria, the paper also highlights the multiple conservatisms of the methodology using several sensitivity analyses.

Spin excitations in optimally P-doped BaFe(AsP) superconductor

Hu, D.*; Yin, Z.*; Zhang, W.*; Ewings, R. A.*; 池内 和彦*; 中村 充孝; Roessli, B.*; Wei, Y.*; Zhao, L.*; Chen, G.*; et al.

Physical Review B, 94(9), p.094504_1 - 094504_7, 2016/09

AA2016-0252.pdf:2.18MB

https://doi.org/10.1103/PhysRevB.94.094504

最適Pドープされた超伝導体BaFe(AsP) (T=30K)におけるスピン励起の温度及びエネルギー依存性が非弾性中性子散乱実験を使って調べられた。我々の実験結果は密度汎関数理論や動的平均場理論で予想される計算結果と矛盾しておらず、BaFe(AsP)における平均プニクトゲン高さの減少が、電子相関の強さを弱め、磁気励起の有効バンド幅の増加に寄与することを示唆している。

TiCl添加によるマグネシウムボロハイドライドMg(BH)の水素放出反応の低温化効果

Li, H.-W.*; 松村 大樹; 西畑 保雄; 秋葉 悦男*; 折茂 慎一*

日本金属学会誌, 77(12), p.627 - 630, 2013/12

https://doi.org/10.2320/jinstmet.JC201305

マグネシウムボロハイドライドは、高い水素重量密度を持つ有力な水素貯蔵材料候補であるが、脱水素化温度が600K程度と高いことが実用化を妨げている。本研究においては、マグネシウムボロハイドライドに塩化チタンを添加することによって、脱水素化開始温度が360Kまで低下することを見出した。X線回折を用いた構造解析及び熱力学的解析の結果、塩化チタンはマグネシウムボロハイドライドと混合した段階においてすでに分解しており、チタン原子はマグネシウム原子との複合ボロハイドライドを形成していることが示唆された。この結果は、すでに報告されているX線吸収分光による結果と一致しており、この複合ボロハイドライド形成が脱水素化温度低下を促していることが示された。