Zhang, T.*; Yao, Y.*; 守田 幸路*; Liu, X.*; Liu, W.*; 今泉 悠也; 神山 健司
Proceedings of 30th International Conference on Nuclear Engineering (ICONE30) (Internet), 9 Pages, 2023/05
The in-pile EAGLE ID1 test was conducted by Japan Atomic Energy Agency to demonstrate the effectiveness of the fuel assembly with an internal duct structure during a core disruptive accident in a sodium-cooled fast reactor. In this study, a new computational fluid dynamics code based on the fully Lagrangian particle method was developed for the purpose of clarifying the failure mechanism of the inner duct wall of FAIDUS. The three-dimensional simulation of the ID1 test was performed to analyze a series of thermal hydraulic behaviors leading up to duct wall failure for a computational domain that included six fuel pins. The simulations reasonably reproduced the heat transfer characteristics observed in the test, showing that the local contact of liquid steel with high thermal conductivity with the duct wall greatly enhances the heat transfer from the nuclear heating fuel to the duct wall. The results support the validity of the conclusions of our analytical study regarding the molten pool-to-duct wall heat transfer mechanism that caused the thermal failure of the duct wall.
Zhang, T.*; 田島 裕之*; 関野 裕太*; 内野 瞬; Liang, H.*
Communications Physics (Internet), 6, p.86_1 - 86_7, 2023/04
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
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.
Wu, P.*; 村井 直樹; Li, T.*; 梶本 亮一; 中村 充孝; 古府 麻衣子; 中島 健次; Xia, K.*; Peng, K.*; Zhang, Y.*; et al.
New Journal of Physics (Internet), 25(1), p.013032_1 - 013032_11, 2023/01
The understanding of the lattice dynamics is essential for engineering the thermal transport properties in quantum materials. Based on the canonical point of view, acoustic phonons are believed to be the principal thermal carriers in heat flow. Here, in this work, optical phonons are elucidated to play a pivotal role in determining the lattice thermal conductivity in thermoelectric material SnS by using the state-of-the-art inelastic neutron scattering technique combined with first-principles calculations. Additionally, in contrast to acoustic phonons, optical phonons are observed to exhibit pronounced softening and broadening with temperature. Our observations not only shed light on the significance of the optical phonons in thermal transport but also provide a vital clue to suppress the propagation of optical phonons to optimize the thermoelectric performance of SnS.
Zhang, T.*; 守田 幸路*; Liu, X.*; Liu, W.*; 神山 健司
Annals of Nuclear Energy, 179, p.109389_1 - 109389_10, 2022/12
The ID1 test was the final target test of the EAGLE experimental framework program. It was used to verify that during a core disruptive accident, the molten fuel could be discharged via wall failure of an inner duct in FAIDUS, a design concept for the sodium-cooled fast reactor. The ID1 results revealed that the wall failure behavior owed to the large heat flow from the surrounding fuel/steel mixture. The present study numerically investigated the heat transfer mechanisms in the test using the finite volume particle method in the three-dimensional domain. The thermal hydraulic behaviors during wall failure were reproduced reasonably. The present three-dimensional simulation mitigated inherent defects of our previous two-dimensional calculation and clarified that the solid fuel and liquid steel close to the outer surface of the duct can expose the duct to high thermal loads, resulting in the wall failure.
高塚 大地*; 守田 幸路*; Liu, W.*; Zhang, T.*; 中村 武志*; 神山 健司
Proceedings of 12th Japan-Korea Symposium on Nuclear Thermal Hydraulics and Safety (NTHAS12) (Internet), 10 Pages, 2022/10
A 3D particle-based simulation code was developed to analyze jet impingement behavior, and the physical models for thermal-hydraulic interactions between molten jets and solid plates used in the code was validated by simulating existing jet impingement experiments. In addition, particle-based simulations were conducted to understand the impingement characteristics of molten MOX fuel jets on SS plates, and the erosion rate of the SS plate was evaluated. The results showed that fuel crusts formed on the plate potentially provide thermal protection and confirmed the effect of the plate erosion rate on the jet diameter under conditions where crust formation is dominant.
Wang, Q.*; Hu, Q.*; Zhao, C.*; Yang, X.*; Zhang, T.*; Ilavsky, J.*; Kuzmenko, I.*; Ma, B.*; 舘 幸男
International Journal of Coal Geology, 261, p.104093_1 - 104093_15, 2022/09
To understanding the spatial heterogeneity of mineral and pore structure variations in fine-grained shale, microscale X-ray fluorescence (micro-XRF) mapping, (ultra-) small-angle X-ray scattering [(U)SAXS] and wide-angle X-ray scattering were applied for two samples from a piece of Eagle Ford Shale in South Texas. Thin section petrography and field emission-scanning electron microscopy, X-ray diffraction (XRD), total organic carbon, and pyrolysis were also utilized to investigate the potential spatial heterogeneity of pore types, mineral and organic matter compositions for both samples. Overall, the siliceous-carbonate mineral contents in these carbonate-rich Eagle Ford Shale vary between laminations at mm scales. By analyzing six selected sub-samples on each of two samples with X-ray scattering and XRD techniques, nm-sized pores are mainly interparticle ones in the higher calcite regions, where the porosity is also relatively lower, while the lower calcite regions consist of both interparticle and intraparticle pore types with higher porosity. Finally, the micro-XRF and (U)SAXS are combined to generate porosity distribution maps to provide more insights about its heterogeneity related to the laminations and fractures at our observational scales.
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
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.
Walter, H.*; Colonna, M.*; Cozma, D.*; Danielewicz, P.*; Ko, C. M.*; Kumar, R.*; 小野 章*; Tsang, M. Y. B*; Xu, J.*; Zhang, Y.-X.*; et al.
Progress in Particle and Nuclear Physics, 125, p.103962_1 - 103962_90, 2022/07
原子核-原子核衝突や原子核の状態方程式の研究において、反応計算モデルは重要なツールとなり、世界中で開発が進んでいる。本論文は、原子力機構のJQMD-2.0を含め、現在開発中の複数のコード開発者の協力により、これらコードを同じ条件で比較することで共通点や差異を明らかにしたプロジェクトTransport Model Evaluation Project (TMEP)を総括したものである。参加したコードはBoltzmann-Uehling-Uhlenbeck(BUU)法に基づく13のコードと、Quantum Molecular Dynamics (QMD)法に基づく12のコードであった。プロジェクトでは、Au原子核同士を衝突させてその終状態を観測する現実的な計算や、一辺が640nmの箱に核子を詰めて時間発展させる仮想的な計算を行った。その結果、BUU法コードとQMD法コードは計算原理が異なるため、計算の設定に関係なく系統的な差異が生じることが明らかになった。その一方で、同じ方法を採用するコード間の比較では、時間発展を細かく計算することでコード間の差は埋まっていき、一定の収束値を持つことが示された。この結果は今後開発される同分野のコードのベンチマークデータとして有用なものであるだけでなく、原子核基礎物理学の実験や理論研究の標準的な指針としても役に立つことが期待される。
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.
Zhang, T.; Lu, K.; 真野 晃宏; 山口 義仁; 勝山 仁哉; Li, Y.
Fatigue & Fracture of Engineering Materials & Structures, 44(12), p.3399 - 3415, 2021/12
Zhang, T.*; 守田 幸路*; Liu, X.*; Liu, W.*; 神山 健司
Extended abstracts of the 2nd Asian Conference on Thermal Sciences (Internet), 2 Pages, 2021/10
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
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.
Zhang, T.; Lu, K.; 勝山 仁哉; Li, Y.
International Journal of Pressure Vessels and Piping, 189, p.104262_1 - 104262_12, 2021/02
In recent years, a large number of surface cracks caused by stress corrosion cracking (SCC) have been reported in dissimilar metal welds of light water reactors. For some of these cracks, the depth (a) is greater than the half-length (). Upon the detection of cracks, the integrity of cracked components should be assessed in accordance with the fitness-for-service (FFS) codes such as the ASME Boiler and Pressure Vessel Code Section XI or JSME code of Rules on Fitness-for-Service for Nuclear Power Plants. Current FFS codes provide SIF solutions of surface cracks with small aspect ratios (i.e. 0.5) only. For the integrity assessment of components with surface cracks of large aspect ratios (i.e. 0.5), it is necessary to develop the SIF solutions for those cracks. This study calculates the SIF solutions of surface cracks with aspect ratios of 0.5 4 in both cylinders and plates by characterizing the cracks as rectangular shaped ones. Finite element simulations are performed to develop the database of SIF solutions for rectangular shaped surface cracks subjected to a 4th order polynomial stress distribution. Additionally, the universal weight function method (UWFM) in calculating the SIF solutions of rectangular shaped surface cracks with large aspect ratios is investigated. Example SIF calculations for rectangular shaped surface cracks subject to residual stress were conducted using the UWFM. The SIF solutions calculated by the UWFM are compared with those from the finite element simulations to show the effectiveness of the UWFM.
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
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.
Zhang, T.*; 船越 寛司*; Liu, X.*; Liu, W.*; 守田 幸路*; 神山 健司
Annals of Nuclear Energy, 150, p.107856_1 - 107856_10, 2021/01
The EAGLE ID1 test was performed by the Japan Atomic Energy Agency to demonstrate the effectiveness of fuel discharge from a fuel subassembly with an inner duct structure. The experimental results suggested that the early duct wall failure observed in the test was initiated by high heat flux from the molten pool comprising liquid fuel and steel. In addition, the post-test analyses showed that the high heat flux may be enhanced effectively by molten steel in the pool. In this study, a series of thermal-hydraulic behaviors in the ID1 test was analyzed to investigate the mechanisms of molten pool-to-duct wall heat transfer using a fully Lagrangian approach based on the finite volume particle method. The present 2D particle-based simulation demonstrated that a large thermal load on the duct wall can be caused by direct contact of the liquid fuel with nuclear heat and high-temperature liquid steel.
Zhang, D.*; Hu, X.*; Chen, T.*; Abernathy, D. L.*; 梶本 亮一; 中村 充孝; 古府 麻衣子; Foley, B. J.*; Yoon, M.*; Choi, J. J.*; et al.
Physical Review B, 102(22), p.224310_1 - 224310_10, 2020/12
The long carrier lifetime and defect tolerance in metal halide perovskites (MHPs) are major contributors to the superb performance of MHP optoelectronic devices. Large polarons were reported to be responsible for the long carrier lifetime. Yet microscopic mechanisms of the large polaron formation, including the so-called phonon melting, are still under debate. Here, time-of-flight inelastic neutron scattering experiments and first-principles density-functional theory calculations were employed to investigate the lattice vibrations (or phonon dynamics) in methylammonium lead iodide, a prototypical example of MHPs. Our findings are that optical phonons lose temporal coherence gradually with increasing temperature which vanishes at the orthorhombic-to-tetragonal structural phase transition. Surprisingly, however, we found that the spatial coherence is still retained throughout the decoherence process. We argue that the temporally decoherent and spatially coherent vibrations contribute to the formation of large polarons in this metal halide perovskite.
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
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.
金子 耕士; Cheung, Y. W.*; Hu, Y.*; 今井 正樹*; 谷奥 泰明*; 金川 響*; 村川 譲一*; 森山 広大*; Zhang, W.*; Lai, K. T.*; et al.
JPS Conference Proceedings (Internet), 30, p.011032_1 - 011032_6, 2020/03
A quantum critical point appears as a second-order phase transition which takes place at zero temperature. In contrast to heavy-fermion systems in which magnetism often plays a vital role, recent studies revealed that structural instabilities can drive a system to a quantum critical point as well. In quasi-skutterudite (Ca,Sr)Sn (=Rh, Ir), SrIrSn exhibits superconductivity around 5 K and a structural transition at 147 K. Applying physical or chemical pressure on SrIrSn suppresses rapidly, and a quasi-linear dependence of electrical resistivity, signature of non-Fermi liquid behavior, was observed where extrapolates to 0 K. The isomorphs (CaSr)RhSn exhibits similar behavior, where the criticality can be reached by 0.9 without external pressure. Neutron scattering experiments in SrIrSn evidences the second order nature of the structural transition at by the observation of a continuous evolution of superlattice peak below and a gradual increase of critical scattering upon approaching to by cooling. Increase of in (CaSr)RhSn toward the quantum critical point leads to the systematic variation of the critical exponents of the order parameter. In addition, this substitution induces the phonon softening around the M point towards zero energy revealed by inelastic X-ray scattering experiment. We will present systematic variations in both elastic and inelastic channels upon approaching to the quantum critical point.
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
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.