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Flow-electrode CDI removes the uncharged Ca-UO$$_{2}$$-CO$$_{3}$$ ternary complex from brackish potable groundwater; Complex dissociation, transport, and sorption

Ma, J.*; Zhang, Y.*; Collins, R. N.*; Tsarev, S.*; 青柳 登; Kinsela, A. S.*; Jones, A. M.*; Waite, T. D.*

Environmental Science & Technology, 53(5), p.2739 - 2747, 2019/03

 パーセンタイル:100(Engineering, Environmental)

Unacceptably high uranium concentrations in decentralized and remote potable groundwater resources, especially those of high hardness, are a common worldwide problem. The complexation of alkali earth metals, carbonate and uranium(VI) results in the formation of thermodynamically stable ternary aqueous species that are predominantly neutrally-charged. The removal of the uncharged (non-adsorbing) complexes is a problematic issue for many water treatment technologies. As such, we have evaluated the efficacy of a recently-developed electrochemical technology, termed flow-electrode capacitive deionization (FCDI), to treat a synthetic groundwater, the composition of which is comparable to groundwater resources in the Northern Territory, Australia. Theoretical calculations and time-resolved laser fluorescence spectroscopy analyses confirmed that the complex was the primary aqueous species followed. Results under different operating conditions demonstrated that FCDI is versatile in reducing uranium concentrations to $$<$$ 10 $$mu$$g L$$^{-1}$$ with low electrical consumption (e.g. $$sim$$ 0.1 kWh m$$^{-3}$$). It is concluded that the capability of FCDI to remove uranium under these common conditions depends on the dissociation kinetics of the complex in the electrical field.


Development of the ReaxFF methodology for electrolyte-water systems

Fedkin, M. V.*; Shin, Y. K.*; Dasgupta, N.*; Yeon, J.*; Zhang, W.*; van Duin, D.*; Van Duin, A. C. T.*; 森 健人*; 藤原 敦志*; 町田 昌彦; et al.

Journal of Physical Chemistry A, 123(10), p.2125 - 2141, 2019/03

 パーセンタイル:100(Chemistry, Physical)

Li$$^{+}$$, Na$$^{+}$$, K$$^{+}$$, Cs$$^{+}$$, F$$^{-}$$, Cl$$^{-}$$, I$$^{-}$$などの水-電解質系を記述する新しいReaxFF反応力場を開発した。反力場パラメータは、水結合エネルギー, 水和エネルギーおよびプロトン移動のエネルギーに関連した量子力学的計算に対してトレーニングされている。水中での様々な電解質のイオン化について、分子動力学シミュレーションの結果と実験結果及び熱力学との比較によって力場の検証を行った。その結果、大部分の原子対(水分子の酸素および水素を含むカチオンまたはアニオン)について、得られた動径分布関数はDFT計算の結果と良く一致することがわかった。また、この力場を用いて、アルカリ金属水酸化物と塩化物塩溶液における水分子および電解質イオンの拡散定数が組成および電解質濃度の関数として得られた。


Colossal barocaloric effects in plastic crystals

Li, B.*; 川北 至信; 河村 聖子; 菅原 武*; Wang, H.*; Wang, J.*; Chen, Y.*; 河口 沙織*; 河口 彰吾*; 尾原 幸治*; et al.

Nature, 567(7749), p.506 - 510, 2019/03



Recent progress on practical materials study by Bragg edge imaging at J-PARC

及川 健一; Su, Y.; 鬼柳 亮嗣; 川崎 卓郎; 篠原 武尚; 甲斐 哲也; 廣井 孝介; Harjo, S.; Parker, J. D.*; 松本 吉弘*; et al.

Physica B; Condensed Matter, 551, p.436 - 442, 2018/12

 パーセンタイル:100(Physics, Condensed Matter)

We are promoting for practical product observation by the energy-resolved neutron imaging method using high-intensity pulsed neutrons at J-PARC, under the Photon and Quantum Basic Research Coordinated Development Program from the Ministry of Education, Culture, Sports, Science and Technology, Japan. Bragg edge imaging, one of the energy-resolved neutron imaging methods for visualizing material properties, was applied to feasibility study of the temperature distribution of copper rod, complementary study of the texture and strain distribution of bent steel plates using neutron diffraction and EBSD, and so on. Outline of results obtained by these imaging experiments will be presented.


Soft, skin-interfaced microfluidic systems with wireless, battery-free electronics for digital, real-time tracking of sweat loss and electrolyte composition

Kim, S. B.*; Lee, K.-H.*; Raj, M. S.*; Reeder, J. T.*; Koo, J.*; Hourlier-Fargette, A.*; Bandodkar, A. J.*; Won, S. M.*; 関根 由莉奈; Choi, J.*; et al.

Small, 14(45), p.1802876_1 - 1802876_9, 2018/11



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

 パーセンタイル:100(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.


OECD/NEA benchmark on pellet-clad mechanical interaction modelling with fuel performance codes; Impact of number of radial pellet cracks and pellet-clad friction coefficient

Dost$'a$l, M.*; Rossiter, G.*; Dethioux, A.*; Zhang, J.*; 天谷 政樹; Rozzia, D.*; Williamson, R.*; Kozlowski, T.*; Hill, I.*; Martin, J.-F.*

Proceedings of Annual Topical Meeting on Reactor Fuel Performance (TopFuel 2018) (Internet), 10 Pages, 2018/10

The benchmark on PCMI was initiated by OECD/NEA Expert Group on Reactor Fuel Performance (EGRFP) in June 2015 and is currently in the latter stages of compiling results and preparing the final report. The aim of the benchmark is to improve understanding and modelling of PCMI amongst NEA member organisations. This is being achieved by comparing PCMI predictions of different fuel performance codes for a number of cases. Two of these cases are hypothetical cases aiming to facilitate understanding of the effects of code-to-code differences in fuel performance models. The two remaining cases are actual irradiations, where code predictions are compared with measured data. During analysis of participants' results of the hypothetical cases, the assumptions for number of radial pellet cracks and the pellet-clad friction coefficient (which can be zero, finite or infinite) were identified to be important factors in explaining differences between predictions once pellet-cladding contact occurs. However, these parameters varied in the models and codes used originally by the participants. This fact led to the extension of the benchmark by inclusion of two additional cases, where the number of radial pellet cracks and three different values of the friction coefficient were prescribed in the case definition. Seven calculations from six organisations contributed results were compared and analysed in this paper.


New antiferromagnetic order with pressure-induced superconductivity in EuFe$$_2$$As$$_2$$

池田 修悟*; 土屋 優*; Zhang, X.-W.*; 岸本 俊二*; 亀卦川 卓美*; 依田 芳卓*; 中村 博樹; 町田 昌彦; Glasbrenner, J.*; 小林 寿夫*

Physical Review B, 98(10), p.100502_1 - 100502_6, 2018/09

 パーセンタイル:100(Materials Science, Multidisciplinary)



Neutron irradiation effect of high-density MoO$$_{3}$$ pellets for Mo-99 production

藤田 善貴; 西方 香緒里; 滑川 要二*; 木村 明博; 柴田 晃; 佐谷戸 夏紀; 土谷 邦彦; 佐野 忠史*; 藤原 靖幸*; Zhang, J.*

KURRI Progress Report 2017, P. 126, 2018/08



A Fluorometric skin-interfaced microfluidic device and smartphone imaging module for ${{it in situ}}$ quantitative analysis of sweat chemistry

関根 由莉奈; Kim, S. B.*; Zhang, Y.*; Bandodkar, A. J.*; Xu, S.*; Choi, J.*; 入江 将大*; Ray, T. R.*; Kohli, P.*; 香西 直文; et al.

Lab on a Chip, 18(15), p.2178 - 2186, 2018/08

近年、スウェットに含まれる代謝産物やイオン等を用いたPoint of Careが高く注目されている。本研究では、それらのバイオマーカーを効果的にその場で検出することを目的として、ソフトで薄いウェアラブルマイクロ流路デバイスとスマートフォンを基盤とした蛍光イメージングシステムを提案する。精密に設計されたマイクロ流路は、皮膚から汗を時間シーケンス制御で集めることを可能にした。また、集められた汗から蛍光検出剤によって検出された塩化物,ナトリウム,亜鉛濃度をスマートフォンを基盤とした蛍光イメージングシステムで正確に定量分析することに成功した。このシステムを実際に試験したところ、正確に効率よく作動することを確認した。


Liquid-like thermal conduction in intercalated layered crystalline solids

Li, B.; Wang, H.*; 川北 至信; Zhang, Q.*; Feygenson, M.*; Yu, H. L.*; Wu, D.*; 尾原 幸治*; 菊地 龍弥*; 柴田 薫; et al.

Nature Materials, 17(3), p.226 - 230, 2018/03

 被引用回数:18 パーセンタイル:1.69(Chemistry, Physical)

As a generic property, all substances transfer heat through microscopic collisions of constituent particles. A solid conducts heat through both transverse and longitudinal acoustic phonons, but a liquid employs only longitudinal vibrations. As a result, a solid is usually thermally more conductive than a liquid. In canonical viewpoints, such a difference also serves as the dynamic signature distinguishing a solid from a liquid. Here, we report liquid-like thermal conduction observed in the crystalline AgCrSe$$_{2}$$. The transverse acoustic phonons are completely suppressed by the ultrafast dynamic disorder while the longitudinal acoustic phonons are strongly scattered but survive, and are thus responsible for the intrinsically ultralow thermal conductivity. This scenario is applicable to a wide variety of layered compounds with heavy intercalants in the van der Waals gaps, manifesting a broad implication on suppressing thermal conduction. These microscopic insights might reshape the fundamental understanding on thermal transport properties of matter and open up a general opportunity to optimize performances of thermoelectrics.


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:16 パーセンタイル:0.85(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。


Super-absorbent polymer valves and colorimetric chemistries for time-sequenced discrete sampling and chloride analysis of sweat via skin-mounted soft microfluidics

Kim, S. B.*; Zhang, Y.*; Won, S. M.*; Bandodkar, A. J.*; 関根 由莉奈; Xue, Y.*; Koo, J.*; Harshman, S. W.*; Martin, J. A.*; Park, J. M.*; et al.

Small, 14(12), p.1703334_1 - 1703334_11, 2018/03

This paper introduces super absorbent polymer valves and colorimetric sensing reagents as enabling components of soft, skin-mounted microfluidic devices designed to capture, store and chemically analyze sweat released from eccrine glands. The valving technology enables robust means for guiding the flow of sweat from an inlet location into a collection of isolated reservoirs, in a well-defined sequence. Analysis in these reservoirs involves a color responsive indicator of chloride concentration with a formulation tailored to offer stable operation with sensitivity optimized for the relevant physiological range. Evaluations on human subjects with comparisons against ex situ analysis illustrate the practical utility of these advances.


Scaling of memories and crossover in glassy magnets

Samarakoon, A. M.*; 高橋 満*; Zhang, D.*; Yang, J.*; 片山 尚幸*; Sinclair, R.*; Zhou, H. D.*; Diallo, S. O.*; Ehlers, G.*; Tennant, D. A.*; et al.

Scientific Reports (Internet), 7(1), p.12053_1 - 12053_8, 2017/09


 被引用回数:2 パーセンタイル:51.25(Multidisciplinary Sciences)

Glassiness is ubiquitous and diverse in characteristics in nature. Understanding their differences and classification remains a major scientific challenge. Here, we show that scaling of magnetic memories with time can be used to classify magnetic glassy materials into two distinct classes. The systems studied are high temperature superconductor-related materials, spin-orbit Mott insulators, frustrated magnets, and dilute magnetic alloys. Our bulk magnetization measurements reveal that most densely populated magnets exhibit similar memory behavior characterized by a relaxation exponent of $$1-n$$ $$approx$$ $$0.6$$(1). This exponent is different from $$1-n$$ $$approx$$ $$1/3$$ of dilute magnetic alloys that was ascribed to their hierarchical and fractal energy landscape, and is also different from $$1-n=1$$ of the conventional Debye relaxation expected for a spin solid, a state with long range order.


Reliability estimation of neutron resonance thermometry using tantalum and tungsten

甲斐 哲也; 廣井 孝介; Su, Y.; 篠原 武尚; Parker, J. D.*; 松本 吉弘*; 林田 洋寿*; 瀬川 麻里子; 中谷 健; 及川 健一; et al.

Physics Procedia, 88, p.306 - 313, 2017/06

 被引用回数:1 パーセンタイル:8.64

Neutron resonance thermometry, which measures material temperature by analyzing the Doppler broadening of a neutron resonance peak, is one of the applications of energy-resolved neutron imaging at RADEN of J-PARC. Although this technique is promising, advantages and disadvantages have not been discussed in practical applications. The authors measured neutron transmission rates of tantalum and tungsten foils in a heater chamber up to 300 degrees Celsius at RADEN. The energy-dependent neutron transmission rates with different statistics were obtained after the measurements by selecting arbitrary measuring intervals from one measurement, and the temperatures of the foils were estimated from those transmission rates with different statistics. The reliability of the neutron resonance thermometry with statistical accuracy, irradiation time and spatial resolution are discussed.


Time-of-flight neutron transmission imaging of martensite transformation in bent plates of a Fe-25Ni-0.4C alloy

Su, Y.; 及川 健一; 篠原 武尚; 甲斐 哲也; 廣井 孝介; Harjo, S.; 川崎 卓郎; Gong, W.; Zhang, S. Y.*; Parker, J. D.*; et al.

Physics Procedia, 88, p.42 - 49, 2017/06

 被引用回数:1 パーセンタイル:15.3

The influences of bending deformation and subsequent subzero treatment on the martensite transformation behaviors in a metastable austenitic alloy Fe-25Ni-0.4C were investigated by the time-of-flight (TOF) neutron Bragg-edge transmission (BET) imaging method. Two-dimensional (2D) maps of martensite phase volume fractions and texture variations due to residual stress and lowering the temperature of the bent samples before and after subzero treatment were obtained by Bragg-edge spectral analysis. The obtained phase volume fractions were quantitatively compared with those determined by neutron diffraction.


A Comparative study of the crystallite size and the dislocation density of bent steel plates using Bragg-edge transmission imaging, TOF neutron diffraction and EBSD

及川 健一; Su, Y.; 友田 陽*; 川崎 卓郎; 篠原 武尚; 甲斐 哲也; 廣井 孝介; Zhang, S.*; Parker, J. D.*; 佐藤 博隆*; et al.

Physics Procedia, 88, p.34 - 41, 2017/00

 被引用回数:1 パーセンタイル:15.3



Time-of-flight neutron Bragg-edge transmission imaging of microstructures in bent steel plates

Su, Y.; 及川 健一; Harjo, S.; 篠原 武尚; 甲斐 哲也; 原田 正英; 廣井 孝介; Zhang, S.*; Parker, J. D.*; 佐藤 博隆*; et al.

Materials Science and Engineering A, 675, p.19 - 31, 2016/10

 被引用回数:8 パーセンタイル:27.75(Nanoscience & Nanotechnology)

Neutron Bragg-edge transmission imaging makes it possible to quantitatively visualize the two-dimensional distribution of microstructure within a sample. In order to examine its application to engineering products, time-of-flight Bragg-edge transmission imaging experiments using a pulsed neutron source were performed for plastically bent plates composed of a ferritic steel and a duplex stainless steel. The non-homogeneous microstructure distributions, such as texture, crystalline size, phase volume fraction and residual elastic strain, were evaluated for the cross sections of the bent plates. The obtained results were compared with those by neutron diffraction and electron back scatter diffraction, showing that the Bragg-edge transmission imaging is powerful for engineering use.


Neutron irradiation effect of high-density MoO$$_{3}$$ pellets for Mo-99 production, 3

石田 卓也; 鈴木 善貴; 西方 香緒里; 米川 実; 加藤 佳明; 柴田 晃; 木村 明博; 松井 義典; 土谷 邦彦; 佐野 忠史*; et al.

KURRI Progress Report 2015, P. 64, 2016/08



Second-order structural transition in the superconductor La$$_3$$Co$$_4$$Sn$$_{13}$$

Cheung, Y. W.*; Zhang, J. Z.*; Zhu, J. Y.*; Yu, W. C.*; Hu, Y. J.*; Wang, D. G.*; 大友 優香*; 岩佐 和晃*; 金子 耕士; 今井 正樹*; et al.

Physical Review B, 93(24), p.241112_1 - 241112_5, 2016/06


 被引用回数:10 パーセンタイル:26.43(Materials Science, Multidisciplinary)

The quasi-skutterudite superconductor La$$_3$$Co$$_4$$Sn$$_{13}$$ undergoes a phase transition at $$T^{*}$$ = 152 K. By measuring the temperature dependence of heat capacity, electrical resistivity, and the superlattice reflection intensity using X-ray, we explore the character of the phase transition at $$T^{*}$$. Our lattice dynamic calculations found imaginary phonon frequencies around the $$M$$ point, when the high temperature structure is used in the calculations, indicating that the structure is unstable at the zero temperature limit. The combined experimental and computational results establish that $$T^{*}$$ is associated with a second-order structural transition with $$q$$ = (0.5, 0.5, 0) (or the $$M$$ point). Further electronic band structure calculations reveal Fermi surface sheets with low-curvature segments, which allow us to draw qualitative comparison with both Sr$$_3$$Ir$$_4$$Sn$$_{13}$$ and Sr$$_3$$Rh$$_4$$Sn$$_{13}$$ in which similar physics has been discussed recently.

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