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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

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

Probing deformation behavior of a refractory high-entropy alloy using ${it in situ}$ 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 ${it in situ}$ 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.

論文

Gradient residual strain measurement procedure in surface impacted railway steel axles by using neutron scattering

Zhou, L.*; Zhang, H.*; Qin, T. Y.*; Hu, F. F.*; 徐 平光; Ao, N.*; Su, Y. H.; He, L. H.*; Li, X. H.*; Zhang, J. R.*; et al.

Metallurgical and Materials Transactions A, 11 Pages, 2024/00

High-speed railway S38C axles undergo surface induction hardening for durability, but are susceptible to fatigue cracks from foreign object impact. The neutron diffraction method was employed to measure the residual strain in S38C axles, obtaining microscopic lattice distortion data, for the gradient layer at a depth of 8 mm under the surface. The results showed that after induction-hardening, the microscopic lattice distortion had a gradient distribution, decreasing with the distance from the surface. However, in the case of impacting speed of 600 km/m, the average microscopic lattice distortion increased with the distance from the surface, reaching a maximum augmentation of 55 pct. These findings indicate a strong experimental basis, and improve our understanding of the relationship between macroscopic residual stress and decision-making, in regard to operation and maintenance.

論文

A Predicted CRISPR-mediated symbiosis between uncultivated archaea

Esser, S. P.*; Rahlff, J.*; Zhao, W.*; Predl, M.*; Plewka, J.*; Sures, K.*; Wimmer, F.*; Lee, J.*; Adam, P. S.*; McGonigle, J.*; et al.

Nature Microbiology (Internet), 8(9), p.1619 - 1633, 2023/09

 被引用回数:1 パーセンタイル:83.33

CRISPR-Cas systems defend prokaryotic cells from viruses, plasmids, and other mobile genetic elements. Capitalizing on multi-omics approaches, we show here that the CRISPR-Cas systems of uncultivated archaea also play an integral role in mitigating potentially detrimental interactions with episymbionts. A comprehensive analysis of CRISPR-Cas-based infection histories revealed that uncultivated deep-subsurface archaeal primary-producers defend themselves from archaeal episymbionts of the DPANN superphylum of archaea, some of which are known to fuse their membranes with their host. We show that host cells counter these attacks by deploying one of two CRISPR-Cas systems (type I-B and type III-A) to target and disrupt essential genes in the episymbiont. However, genome-scale modeling of metabolic interactions between two deep subsurface host-symbiont systems revealed that host cells also benefit from the symbionts via metabolic complementation. We speculate that populations of these uncultivated archaeal episymbionts are currently transitioning from a parasitic lifestyle to one of mutualism, as must have occurred in countless mutualistic systems known today. By expanding our analysis to thousands of archaeal genomes, we conclude that CRISPR-Cas mediated resistance to archaeal episymbiosis evolved independently in various archaeal lineages and may be a wide-spread evolutionary phenomenon.

論文

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)

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$$_3$$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$$_3$$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。

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

 被引用回数:2 パーセンタイル:73.49(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

Synergistic hybrid electrocatalysts of platinum alloy and single-atom platinum for an efficient and durable oxygen reduction reaction

Liu, B.*; Feng, R.*; Busch, M.*; Wang, S.*; Wu, H.*; Liu, P.*; Gu, J.*; Bahadoran, A.*; 松村 大樹; 辻 卓也; et al.

ACS Nano, 16(9), p.14121 - 14133, 2022/09

 被引用回数:23 パーセンタイル:98.03(Chemistry, Multidisciplinary)

Pt single-atom materials possess an ideal atom economy but suffer from limited intrinsic activity and side reaction of producing H$$_{2}$$O$$_{2}$$ in catalyzing the oxygen reduction reaction (ORR). Here, we demonstrate that anchoring platinum alloys on single-atom Pt-decorated carbon (Pt- SAC) surmounts their inherent deficiencies, thereby enabling a complete four-electron ORR pathway catalysis with high efficiency and durability. Pt$$_{3}$$Co@Pt-SAC demonstrates an exceptional mass and specific activities 1 order of magnitude higher than those of commercial Pt/C. They are durable throughout 50000 cycles, showing only a 10 mV decay in halfwave potential. The superior durability is attributed to the shielding effect of the Pt-SAC coating, which significantly mitigates the dissolution of Pt$$_{3}$$Co cores.

論文

Novel graphene-based foam composite as a highly reactive filter medium for the efficient removal of gemfibrozil from (waste)water

Khalil, A. M. E.*; Han, L.*; Maamoun, I.; Tabish, T. A.*; Chen, Y.*; Eljamal, O.*; Zhang, S.*; Butler, D.*; Memon, F. A.*

Advanced Sustainable Systems (Internet), 6(8), p.2200016_1 - 2200016_16, 2022/08

 被引用回数:0 パーセンタイル:16.1(Green & Sustainable Science & Technology)

Graphene-based materials have emerged as alternative adsorbents, but their success in removing pharmaceutical contaminants has been limited due to degradation caused by restacking and limited control over their sizes and porosities. Driven by this issue, in the current study, to counteract the restacking behavior, graphene sheets are supported on a thread/rod-like matrix structure in a boron nitride foam material, and a novel porous composite foam-supported graphene is synthesized. The as-prepared novel composite offers extraordinary features, such as high absorption kinetics, large available surface area, high porosity, ecofriendliness and cost-effective synthesis, and excellent affinity to emerging pharmaceutical contaminants. When batch-testing graphene-based foam material and porous graphene nanosheets to remove gemfibrozil (GEM) from wastewater samples, rapid adsorption kinetics (less than 5 min) are exhibited by the graphene-based foam. Column filter studies are conducted for both materials to test their performance in removing GEM from distilled water, synthetic graywater, and actual wastewater. Overall, the foam composite-based filter marginally outperforms the sand-supported graphene filter and significantly outperforms the unsupported graphene filter. A numerical MATLAB model is developed to simulate the reactive solute transport of GEM influent through the foam filter. Also, a formal sensitivity analysis is conducted to identify the key parameters influencing the model results.

論文

Status of the uncertainty quantification for severe accident sequences of different NPP-designs in the frame of the H-2020 project MUSA

Brumm, S.*; Gabrielli, F.*; Sanchez-Espinoza, V.*; Groudev, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; Bocanegra, R.*; Herranz, L. E.*; Berda$"i$, 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.

論文

MYRRHA-MINERVA injector status and commissioning

Gatera, A.*; Belmans, J.*; Boussa, S.*; Davin, F.*; De Cock, W.*; De Florio, V.*; Doucet, F.*; Parez, L.*; Pompon, F.*; Ponton, A.*; et al.

Proceedings of 64th ICFA Advanced Beam Dynamics Workshop on High Intensity and High Brightness Hadron Beams (HB2021), p.186 - 190, 2022/04

The MYRRHA project at SCK CEN, Belgium, aims at coupling a 600 MeV proton accelerator to a subcritical fission core operating at a thermal power of 60 MW. The nominal proton beam for this ADS has an intensity of 4 mA and is delivered in a quasi-CW mode. MYRRHA's linac is designed to be fault tolerant thanks to redundancy implemented in parallel at low energy and serially in the superconducting linac. Phase 1 of the project, named MINERVA, will realise a 100 MeV, 4 mA superconducting linac with the mission of demonstrating the ADS requirements in terms of reliability and of fault tolerance. As part of the reliability optimisation program the integrated prototyping of the MINERVA injector is ongoing at SCK CEN in Louvain-la-Neuve, Belgium. The injector test stand aims at testing sequentially all the elements composing the front-end of the injector. This contribution will highlight the beam dynamics choices in MINERVA's injector and their impact on ongoing commissioning activities.

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

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

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:94.81(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

 被引用回数:46 パーセンタイル:97.45(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

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:99.12(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.

論文

Fine structure in the $$alpha$$ decay of $$^{223}$$U

Sun, 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:10 パーセンタイル:80.2(Astronomy & Astrophysics)

Fine structure in the $$alpha$$ decay of $$^{223}$$U was observed in the fusion-evaporation reaction $$^{187}$$Re($$^{40}$$Ar,p3n) by using fast digital pulse processing technique. Two $$alpha$$-decay branches of $$^{223}$$U feeding the ground state and 244 keV excited state of $$^{219}$$Th were identified by establishing the decay chain $$^{223}$$U$$rightarrow$$$$^{219}$$Th$$rightarrow$$$$^{215}$$Ra$$rightarrow$$$$^{211}$$Rn. The $$alpha$$-particle energy for the ground-state to ground-state transition of $$^{223}$$U was determined to be 8993(17) keV, 213 keV higher than the previous value, the half-life was updated to be 62$$^{+14}_{-10} mu$$s. Evolution of nuclear structure for $$N$$=131 even-$$Z$$ isotones from Po to U was discussed in the frameworks of nuclear mass and reduced $$alpha$$-decay width, a weakening octupole deformation in the ground state of $$^{223}$$U relative to its lighter isotones $$^{219}$$Ra and $$^{211}$$Th was suggested.

論文

Comparison of heavy-ion transport simulations; Collision integral with pions and $$Delta$$ resonances in a box

小野 章*; Xu, J.*; Colonna, M.*; Danielewicz, P.*; Ko, C. M.*; Tsang, M. B.*; Wang, Y,-J.*; Wolter, H.*; Zhang, Y.-X.*; Chen, L.-W.*; et al.

Physical Review C, 100(4), p.044617_1 - 044617_35, 2019/10

AA2019-0025.pdf:2.76MB

 被引用回数:52 パーセンタイル:98.56(Physics, Nuclear)

2017年4月に開催された国際会議Transport2017において、重イオン核反応モデルの国際的な比較が議論された。重イオン加速器の安全評価や宇宙飛行士の被ばく評価等で重要な役割を果たすため、世界中で重イオン核反応の様々な理論モデルが開発されている。本研究では、辺の長さが20fmの直方体に320個の中性子と陽子をランダム配置し、それらが70fm/cの間に起こす散乱の回数やエネルギーを計算した。ここでは、特にパイオンやその前駆体であるデルタ共鳴の生成に注目して比較を行った。参加コードは、個々の粒子の時間発展を追うQMD型コードと、粒子の位置や運動量の確率分布を決めておき、散乱や崩壊が発生したときそれらを乱数サンプリングするBUU型コードがあり、発表者が用いたJQMDは前者に属する。本研究により、計算における時間刻みが各コードによる結果の差の主な原因であることが分かった。さらに、今後のJQMDの改良方針の策定に有益な知見を得ることができた。

論文

Evidence of a structural quantum critical point in (Ca$$_x$$Sr$$_{1-x}$$)$$_3$$Rh$$_4$$Sn$$_{13}$$ from a lattice dynamics study

Cheung, Y. W.*; Hu, Y. J.*; 今井 正樹*; 谷奥 泰明*; 金川 響*; 村川 譲一*; 森山 広大*; Zhang, W.*; Lai, K. T.*; 吉村 一良*; et al.

Physical Review B, 98(16), p.161103_1 - 161103_5, 2018/10

 被引用回数:19 パーセンタイル:67.65(Materials Science, Multidisciplinary)

Approaching a quantum critical point has been an effective route to stabilize superconductivity. While the role of magnetic QCPs has been extensively discussed, similar exploration of a structural QCP is scarce. Using inelastic X-ray scattering, we examine the phonon spectrum of the nonmagnetic quasi-skutterudite (Ca$$_x$$Sr$$_{1-x}$$)$$_3$$Rh$$_4$$Sn$$_{13}$$, which represents a precious system to explore the interplay between structural instabilities and superconductivity by tuning the Ca concentration x. We unambiguously detect the softening of phonon modes around the M point on cooling towards the structural transition. Intriguingly, at x = 0:85, the soft mode energy squared at the M point extrapolates to zero at -5.7 K, providing the first compelling microscopic evidence of a structural QCP in (Ca$$_x$$Sr$$_{1-x}$$)$$_3$$Rh$$_4$$Sn$$_{13}$$. The enhanced phonon density-of-states at low energy provides the essential ingredient for realizing strong-coupling superconductivity near the structural QCP.

論文

Comparison of heavy-ion transport simulations; Collision integral in a box

Zhang, Y.-X.*; Wang, Y,-J.*; Colonna, M.*; Danielewicz, P.*; 小野 章*; Tsang, M. B.*; Wolter, H.*; Xu, J.*; Chen, L.-W.*; Cozma, D.*; et al.

Physical Review C, 97(3), p.034625_1 - 034625_20, 2018/03

 被引用回数:90 パーセンタイル:99.11(Physics, Nuclear)

2017年4月に開催された国際会議Transport2017において、重イオン核反応モデルの国際的な比較が議論された。重イオン加速器の安全評価や宇宙飛行士の被ばく評価等で重要な役割を果たすため、世界中で重イオン核反応の様々な理論モデルが開発されている。本研究はモデル間の共通点と差異を明らかにし、各モデルの問題点を明らかにした。比較において、辺の長さが20fmの直方体に320個の中性子と320個の陽子をランダム配置し、それらが時間発展に伴って起こす散乱の回数や散乱時のエネルギーなどを計算する条件が設定された。また、結果以外にも、理論モデルを構成するアルゴリズムについても比較を行った。発表者は重イオン核反応モデルJQMD(JAERI Quantum Molecular Dynamics)を用いて計算を行い、世界で開発されている15の計算コードによる計算結果と比較した。コードアルゴリズムの比較では、JQMDは必ず陽子から 優先的に衝突確率を計算し、その後に中性子の衝突を計算するため、物理描像の妥当性が指摘された。一方、JQMDは他のモデルとほぼ同じ計算結果を出すことも判明した。衝突回数や運動量の計算値が平均から2倍以上乖離するモデルもある中で、JQMDは本計算条件で安定した性能を発揮することが確認された。

論文

Speciation of iodine isotopes inside and outside of a contaminant plume at the Savannah River Site

Schwehr, K. A.*; 乙坂 重嘉; Merchel, S.*; Kaplan, D. I.*; Zhang, S.*; Xu, C.*; Li, H.-P.*; Ho, Y.-F.*; Yeager, C. M.*; Santschi, P. H.*; et al.

Science of the Total Environment, 497-498, p.671 - 678, 2014/11

 被引用回数:14 パーセンタイル:39.18(Environmental Sciences)

pHを制御する溶媒抽出法と加速器質量分析(AMS)を組合せることにより、環境水中の$$^{129}$$I/$$^{127}$$I同位体比をヨウ素化学種(ヨウ化物イオン,ヨウ素酸イオン,有機体ヨウ素)別に定量する簡便な試料前処理法を開発した。本法は、試料水のイオン強度による影響を受けにくいことから、幅広い特性の環境水試料に適用できることが期待される。本法を米国サバナリバーサイトの地下水分析に適用して測定した$$^{129}$$I濃度を、既報の分析法(溶媒抽出-ガスクロマトグラフ質量分析法)と比較し、分析法の確かさを評価した。さらに同地域において、地下水中の$$^{127}$$I及び$$^{129}$$I濃度とそれらの化学種の空間分布を、地下水中のpH,酸化還元電位,有機物濃度等の地球化学的指標と合わせて解析した。結果として、同地域の地下水中の$$^{129}$$I/$$^{127}$$I比や$$^{129}$$I化学種は、強いpH依存性を示しながら変化することがわかった。

論文

Bacterial production of organic acids enhances H$$_{2}$$O$$_{2}$$-dependent iodide oxidation

Li, H.-P.*; Yeager, C. M.*; Brinkmeyer, R.*; Zhang, S.*; Ho, Y.-F.*; Xu, C.*; Jones, W. L.*; Schwehr, K. A.*; 乙坂 重嘉; Roberts, K. A.*; et al.

Environmental Science & Technology, 46(9), p.4837 - 4844, 2012/03

 被引用回数:49 パーセンタイル:76.82(Engineering, Environmental)

微生物活動が土壌-地下水間の$$^{129}$$I輸送に与える役割を理解するため、米国サバナリバーサイト(SRS)核施設のF地域から単離した天然由来のバクテリアについて、ヨウ素酸化機構について議論した。多くの種類のバクテリアについて、有機ヨウ素の主な前駆物質である三ヨウ化物イオンの液体培地中での生成率を観察したところ、その濃度は過酸化水素(H$$_{2}$$O$$_{2}$$)の存在により2倍から10倍に高められることが確認された。さらに、液体培地中のペルオキシダーゼ活性及び有機酸濃度の時間変化から、(1)微生物によって排泄される有機酸とH$$_{2}$$O$$_{2}$$との反応により、酸化剤過酸化カルボキシル酸が生成することと、(2)有機酸の排泄に伴い培地中のpHが低下すること、の2つの機構がヨウ素の酸化を促進させうることが示唆された。

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