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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)
refractory high-entropy alloy (HEA) during tensile loading has been investigated using in situ neutron diffraction. The equivalent strain-hardening rate of each of the primary 
-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.
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：76.99CRISPR-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.
; 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：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。
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：46.51(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.
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：97.83(Chemistry, Multidisciplinary)Pt single-atom materials possess an ideal atom economy but suffer from limited intrinsic activity and side reaction of producing H
O 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
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 PtCo cores.
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：0(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.
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.
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.
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
被引用回数：1 パーセンタイル：27.12(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。
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。
大柳 洸一*; Gomez-Perez, J. M.*; Zhang, X.-P.*; 吉川 貴史*; Chen, Y.*; Sagasta, E.*; Chuvilin, A.*; Hueso, L. E.*; Golovach, V. N.*; Sebastian Bergeret, F.*; et al.
Physical Review B, 104(13), p.134428_1 - 134428_14, 2021/10
被引用回数：8 パーセンタイル：68.73(Materials Science, Multidisciplinary)We report the observation of the spin Hall magnetoresistance (SMR) in a paramagnetic insulator. By measuring the transverse resistance in a Pt/GdGa
O
(GGG) system at low temperatures, paramagnetic SMR is found to appear with an intensity that increases with the magnetic field aligning GGG's spins. The observed effect is well supported by a microscopic SMR theory, which provides the parameters governing the spin transport at the interface. Our findings clarify the mechanism of spin exchange at a Pt/GGG interface, and demonstrate tunable spin-transfer torque through the field-induced magnetization of GGG. In this regard, paramagnetic insulators offer a key property for future spintronic devices.
Soba, A.*; Prudil, A.*; Zhang, J.*; Dethioux, A.*; Han, Z.*; Dostal, M.*; Matocha, V.*; Marelle, V.*; Lasnel-Payan, J.*; Kulacsy, K.*; et al.
Proceedings of TopFuel 2021 (Internet), 10 Pages, 2021/10
The NEA Expert Group on Reactor Fuel Performance (EGRFP) proposed a benchmark on fuel performance codes modeling of pellet-cladding mechanical interation (PCMI). The aim of the benchmark was to improve understanding and modeling of PCMI amongst NEA member organizations. This was achieved by comparing PCMI predictions for a number of specified cases. The results of the two hypothetical cases (1 and 2) were presented earlier. The two final cases (3 and 4) are comparison between calculations and measurements, which will be published as NEA reports. This paper focuses on Case 3, which consists of eight beginning of life (BOL) sub-cases (3a to 3h) each with different pellet designs that have undergone ramping in the Halden Reactor. The aforementioned experiments are known as the IFA-118 experiments and were performed from 1969 to 1970. The variations between cases include four different pellets dimensions (7, 14, 20 and 30 mm of height), two different gapsizes between pellet-cladding (40 and 100 microns) and three variations on pellet face geometry (flat, dishing and dishing with chamfer). Such diversity has allowed exploring the codes sensitivity to these individual factors.
Gatera, A.*; Belmans, J.*; Davin, F.*; De Cock, W.*; Doucet, F.*; Parez, L.*; Pompon, F.*; Ponton, A.*; Vandeplassche, D.*; Bouly, F.*; et al.
Proceedings of 12th International Particle Accelerator Conference (IPAC 21) (Internet), p.675 - 678, 2021/08
The MYRRHA project aims at coupling a 600 MeV proton accelerator to a subcritical fission core operating at a thermal power of 70 MW. The nominal proton beam for this ADS (Accelerator Driven System) has an intensity of 4 mA and is delivered in a quasi-CW mode. Phase 1 of the project will realise a 100 MeV, 4 mA superconducting linac with the mission of ensuring the ADS requirements in terms of reliability and fault tolerance. As part of the reliability optimisation program the integrated prototyping of the MINERVA injector is ongoing. The front-end of the injector is composed of an ECR proton source, an LEBT (Low Energy Beam Transport line) and a four-rod RFQ accelerating the beam to 1.5 MeV. The present contribution focuses on the current beam tests on the RFQ, including beam matching, RF conditioning, assessment of the cavities' performances and accelerated beam characterisation.
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：94.66(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.
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：97.41(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 
10
m
. 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.
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：99.13(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.
-MgAgSbLi, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; 池田 一貴*; 大友 季哉*; 古府 麻衣子; et al.
Nature Communications (Internet), 11, p.942_1 - 942_9, 2020/02
被引用回数：30 パーセンタイル：90.51(Multidisciplinary Sciences)高性能の熱電材料実現には低熱伝導率が必要であり、その機構としてはフォノンの非調和によるもの、あるいは、結晶構造の動的な乱れによるフォノンの散乱によるものがあげられ、どちらも中性子散乱でその現象が明らかにされている。我々は中性子散乱と第一原理計算を組み合わせ、-MgAgSbにおいて、静的な結晶構造の乱れとフォノンの非調和性が組み合わされて極端に低い熱伝導率が実現されているということを見いだしたので、これを報告する。
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：10 パーセンタイル：82.5(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 U
Th
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.
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
被引用回数：52 パーセンタイル：98.61(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。
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：4 パーセンタイル：23.72(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。
