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Journal Articles

Strong lattice anharmonicity exhibited by the high-energy optical phonons in thermoelectric material

Wu, P.*; Fan, F.-R.*; Hagihara, Masato*; Kofu, Maiko; Peng, K.*; Ishikawa, Yoshihisa*; Lee, S.*; Honda, Takashi*; Yonemura, Masao*; Ikeda, Kazutaka*; et al.

New Journal of Physics (Internet), 22(8), p.083083_1 - 083083_9, 2020/08

 Times Cited Count:0 Percentile:100(Physics, Multidisciplinary)

Thermoelectric material SnSe has aroused world-wide interests in the past years, and its inherent strong lattice anharmonicity is regarded as a crucial factor for its outstanding thermoelectric performance. However, the understanding of lattice anharmonicity in SnSe system remains inadequate, especially regarding how phonon dynamics are affected by this behavior. In this work, we present a comprehensive study of lattice dynamics on Na$$_{0.003}$$Sn$$_{0.997}$$Se$$_{0.9}$$S$$_{0.1}$$ by means of neutron total scattering, inelastic neutron scattering, Raman spectroscopy as well as frozen-phonon calculations. Lattice anharmonicity is evidenced by pair distribution function, inelastic neutron scattering and Raman measurements. By separating the effects of thermal expansion and multi-phonon scattering, we found that the latter is very significant in high-energy optical phonon modes. The strong temperature-dependence of these phonon modes indicate the anharmonicity in this system. Moreover, our data reveals that the linewidths of high-energy optical phonons become broadened with mild doping of sulfur. Our studies suggest that the thermoelectric performance of SnSe could be further enhanced by reducing the contributions of high-energy optical phonon modes to the lattice thermal conductivity via phonon engineering.

Journal Articles

Low temperature heat capacity of Cs$$_{2}$$Si$$_{4}$$O$$_{9}$$

Suzuki, Eriko; Nakajima, Kunihisa; Osaka, Masahiko; Oishi, Yuji*; Muta, Hiroaki*; Kurosaki, Ken*

Journal of Nuclear Science and Technology, 57(7), p.852 - 857, 2020/07

 Times Cited Count:0 Percentile:100(Nuclear Science & Technology)

The low temperature heat capacity of Cs$$_{2}$$Si$$_{4}$$O$$_{9}$$, which is one of the cesium chemisorbed compounds onto stainless steel during severe accident of the light water nuclear reactor, was experimentally determined for the first time in the temperature range of 1.9 - 302 K. The experimentally determined heat capacity, $$C_{p}$$$$^{o}$$ (298.15K), and the standard entropy, $$S^{o}$$ (298.15K), were 249.4 $$pm$$ 1.1 J K$$^{-1}$$ mol$$^{-1}$$ and 322.1 $$pm$$ 1.3 J K$$^{-1}$$ mol$$^{-1}$$, respectively. The standard Gibbs energy of formation of Cs$$_{2}$$Si$$_{4}$$O$$_{9}$$ at high temperatures, $$Delta$$$$_{f}$$$$G^{o}$$($$T$$), were reevaluated by using the presently obtained $$S^{o}$$ (298.15K) and the previously reported experimental results of the standard enthalpy of formation, $$Delta$$$$_{f}$$$$H^{o}$$ (298.15K), and the standard enthalpy increments at high temperatures, $$H^{o}$$($$T$$)-$$H^{o}$$ (298.15K).

Journal Articles

$$q$$=0 long-range magnetic order in centennialite CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O; A Spin-$$frac{1}{2}$$ perfect kagome antiferromagnet with $$J_{1}$$-$$J_{2}$$-$$J_{d}$$

Iida, Kazuki*; Yoshida, Hiroyuki*; Nakao, Akiko*; Jeschke, H. O.*; Iqbal, Y.*; Nakajima, Kenji; Kawamura, Seiko; Munakata, Koji*; Inamura, Yasuhiro; Murai, Naoki; et al.

Physical Review B, 101(22), p.220408_1 - 220408_6, 2020/06

Crystal and magnetic structures of the mineral centennialite CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O are investigated by means of synchrotron X-ray diffraction and neutron diffraction measurements complemented by density functional theory (DFT) and pseudofermion functional renormalization group (PFFRG) calculations. In CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O, Cu$$^{2+}$$ ions form a geometrically perfect kagome network with antiferromagnetic $$J_{1}$$. No intersite disorder between Cu$$^{2+}$$ and Ca$$^{2+}$$ ions is detected. CaCu$$_{3}$$(OD)$$_{6}$$Cl$$_{2}$$ $$cdot$$ 0.6D$$_{2}$$O enters a magnetic long-range ordered state below $$T_{rm N}$$ = 7.2 K, and the $$q$$=0 magnetic structure with negative vector spin chirality is obtained. The ordered moment at 0.3 K is suppressed to 0.58(2)$$mu$$B. Our DFT calculations indicate the presence of antiferromagnetic $$J_{2}$$ and ferromagnetic $$J_{d}$$ superexchange couplings of a strength which places the system at the crossroads of three magnetic orders (at the classical level) and a spin-$$frac{1}{2}$$ PFFRG analysis shows a dominance of $$q$$=0 type magnetic correlations, consistent with and indicating proximity to the observed $$q$$=0 spin structure. The results suggest that this material is located close to a quantum critical point and is a good realization of a $$J_{1}$$-$$J_{2}$$-$$J_{d}$$ kagome antiferromagnet.

Journal Articles

Reactor physics experiment in a graphite-moderation system for HTGR

Fukaya, Yuji; Goto, Minoru; Nakagawa, Shigeaki; Nakajima, Kunihiro*; Takahashi, Kazuki*; Sakon, Atsushi*; Sano, Tadafumi*; Hashimoto, Kengo*

Proceedings of International Conference on the Physics of Reactors; Transition To A Scalable Nuclear Future (PHYSOR 2020) (USB Flash Drive), 8 Pages, 2020/03

The Japan Atomic Energy Agency (JAEA) started the Research and Development (R&D) to improve nuclear prediction techniques for High Temperature Gas-cooled Reactors (HTGRs). The objectives are to introduce a generalized bias factor method to avoid full mock-up experiment for the first commercial HTGR and to introduce reactor noise analysis to High Temperature Engineering Test Reactor (HTTR) experiment to observe subcriticality. To achieve the objectives, the reactor core of graphite-moderation system named B7/4"G2/8"p8EUNU+3/8"p38EU(1) was newly composed in the B-rack of Kyoto University Critical Assembly (KUCA). The core is composed of the fuel assembly, driver fuel assembly, graphite reflector, and polyethylene reflector. The fuel assembly is composed of enriched uranium plate, natural uranium plate and graphite plates to realize the average fuel enrichment of HTTR and it's spectrum. However, driver fuel assembly is necessary to achieve the criticality with the small-sized core. The core plays a role of the reference core of the bias factor method, and the reactor noise was measured to develop the noise analysis scheme. In this study, the overview of the criticality experiments is reported. The reactor configuration with graphite moderation system is rare case in the KUCA experiments, and this experiment is expected to contribute not only for an HTGR development but also for other types of a reactor in the graphite moderation system such as a molten salt reactor development.

Journal Articles

Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline $$alpha$$-MgAgSb

Li, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; Ikeda, Kazutaka*; Otomo, Toshiya*; Kofu, Maiko; et al.

Nature Communications (Internet), 11(1), p.942_1 - 942_9, 2020/02

 Times Cited Count:2 Percentile:14.76(Multidisciplinary Sciences)

In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic and phonon scattering resulting from the dynamic disorder, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phonon-anharmonic-induced ultralow lattice thermal conductivity in $$alpha$$-MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the intrinsic distorted rocksalt sublattice in this compound, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in $$alpha$$-MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.

Journal Articles

Experimental study on local interfacial parameters in upward air-water bubbly flow in a vertical 6$$times$$6 rod bundle

Han, X.*; Shen, X.*; Yamamoto, Toshihiro*; Nakajima, Ken*; Sun, Haomin; Hibiki, Takashi*

International Journal of Heat and Mass Transfer, 144, p.118696_1 - 118696_19, 2019/12

 Times Cited Count:1 Percentile:69.79(Thermodynamics)

Journal Articles

Crystal structures of highly hole-doped layered perovskite nickelate Pr$$_{2-x}$$Sr$$_{x}$$NiO$$_{4}$$ studied by neutron diffraction

Kajimoto, Ryoichi; Nakajima, Kenji; Fujita, Masaki*; Ishikado, Motoyuki*; Torii, Shuki*; Ishikawa, Yoshihisa*; Miao, P.*; Kamiyama, Takashi*

Journal of the Physical Society of Japan, 88(11), p.114602_1 - 114602_6, 2019/11

 Times Cited Count:0 Percentile:100(Physics, Multidisciplinary)

Journal Articles

Background issues encountered by cold-neutron chopper spectrometer AMATERAS

Kikuchi, Tatsuya*; Nakajima, Kenji; Kawamura, Seiko; Inamura, Yasuhiro; Nakamura, Mitsutaka; Wakai, Daisuke*; Aoyama, Kazuhiro*; Iwahashi, Takaaki*; Kambara, Wataru*

Physica B; Condensed Matter, 564, p.45 - 53, 2019/07

 Times Cited Count:0 Percentile:100(Physics, Condensed Matter)

Details of the background, that is, unwanted signals accumulated by the data acquisition system of neutron instruments, observed by the cold-neutron chopper spectrometer AMATERAS installed at the Materials and Life Science Experimental Facility at J-PARC are reported. In the design phase of AMATERAS, we carefully considered the achievement of high signal-to-noise ratio, and possible countermeasures were implemented. Actually, recent scientific outputs from AMATERAS indicates that the spectrometer is one of excellent neutron instruments with low background. In spite of that, in nine years of AMATERAS operation, we have encountered unwanted signals due to various reasons, including gamma-rays emitted at materials on or near the beam line including the sample itself, scattered neutrons from the beam line devices, air scattering, electronic noise in data acquisition system, cosmic rays, T0 burst, and other unknown sources. In this report, we discuss the background observed by AMATERAS, especially in the conditions of without samples, comprehensively. The possible sources of these signals and the countermeasures considered against the above sources are discussed, which may be helpful to those who are engaged in other existing or planned neutron-scattering instruments.

Journal Articles

Localized magnetic excitations in the fully frustrated dimerized magnet Ba$$_{2}$$CoSi$$_{2}$$O$$_{6}$$Cl$$_{2}$$

Kurita, Nubuyuki*; Yamamoto, Daisuke*; Kanesaka, Takuya*; Furukawa, Nobuo*; Kawamura, Seiko; Nakajima, Kenji; Tanaka, Hidekazu*

Physical Review Letters, 123(2), p.027206_1 - 027206_6, 2019/07

 Times Cited Count:0 Percentile:100(Physics, Multidisciplinary)

Journal Articles

Evidence for singular-phonon-induced nematic superconductivity in a topological superconductor candidate Sr$$_{0.1}$$Bi$$_{2}$$Se$$_{3}$$

Wang, J.*; Ran, K.*; Li, S.*; Ma, Z.*; Bao, S.*; Cai, Z.*; Zhang, Y.*; Nakajima, Kenji; Kawamura, Seiko; $v{C}$erm$'a$k, P.*; et al.

Nature Communications (Internet), 10, p.2802_1 - 2802_6, 2019/06

 Times Cited Count:7 Percentile:13.47(Multidisciplinary Sciences)

Journal Articles

Measurement of neutron scattering cross section of nano-diamond with particle diameter of approximately 5 nm in energy range of 0.2 meV to 100 meV

Teshigawara, Makoto; Tsuchikawa, Yusuke*; Ichikawa, Go*; Takata, Shinichi; Mishima, Kenji*; Harada, Masahide; Oi, Motoki; Kawamura, Yukihiko*; Kai, Tetsuya; Kawamura, Seiko; et al.

Nuclear Instruments and Methods in Physics Research A, 929, p.113 - 120, 2019/06

 Times Cited Count:4 Percentile:20.8(Instruments & Instrumentation)

A nano-diamond is an attractive neutron reflection material below cold neutron energy. The total neutron cross section of a nano-diamond was derived from a neutron transmission measurement over the neutron energy range of 0.2 meV to 100 meV because total neutron cross section data were not available. The total cross section of a nano-diamond with particle size of approximately 5 nm increased with a decrease in neutron energy to 0.2 meV. It was approximately two orders of magnitude larger than that of graphite at 0.2 meV. The contribution of inelastic scattering to the total cross section was to be shown negligible small at neutron energies of 1.2, 1.5, 1.9, 2.6, and 5.9 meV in the inelastic neutron scattering measurement. Moreover, small-angle neutron scattering measurements of the nano-diamond showed a large scattering cross section in the forward direction for low neutron energies.

Journal Articles

Status of neutron spectrometers at J-PARC

Kajimoto, Ryoichi; Yokoo, Tetsuya*; Nakamura, Mitsutaka; Kawakita, Yukinobu; Matsuura, Masato*; Endo, Hitoshi*; Seto, Hideki*; Ito, Shinichi*; Nakajima, Kenji; Kawamura, Seiko

Physica B; Condensed Matter, 562, p.148 - 154, 2019/06

 Times Cited Count:3 Percentile:60.07(Physics, Condensed Matter)

Journal Articles

Triplon band splitting and topologically protected edge states in the dimerized antiferromagnet

Nawa, Kazuhiro*; Tanaka, Kimihito*; Kurita, Nubuyuki*; Sato, Taku*; Sugiyama, Haruki*; Uekusa, Hidehiro*; Kawamura, Seiko; Nakajima, Kenji; Tanaka, Hidekazu*

Nature Communications (Internet), 10, p.2096_1 - 2096_8, 2019/05

 Times Cited Count:2 Percentile:45.7(Multidisciplinary Sciences)

Search for topological materials has been actively promoted in the field of condensed matter physics for their potential application in energy-efficient information transmission and processing. Recent studies have revealed that topologically invariant states, such as edge states in topological insulators, can emerge not only in a fermionic electron system but also in a bosonic system, enabling nondissipative propagation of quasiparticles. Here we report the topologically nontrivial triplon bands measured by inelastic neutron scattering on the spin-1/2 two-dimensional dimerized antiferromagnet Ba$$_{2}$$CuSi$$_{2}$$O$$_{6}$$Cl$$_{2}$$. The excitation spectrum exhibits two triplon bands that are clearly separated by a band gap due to a small alternation in interdimer exchange interaction, consistent with a refined crystal structure. By analytically modeling the triplon dispersion, we show that Ba$$_{2}$$CuSi$$_{2}$$O$$_{6}$$Cl$$_{2}$$ is the first bosonic realization of the coupled Su-Schrieffer-Heeger model, where the presence of topologically protected edge states is prompted by a bipartite nature of the lattice.

Journal Articles

Coexistence of ferromagnetic and stripe-type antiferromagnetic spin fluctuations in YFe$$_{2}$$Ge$$_{2}$$

Wo, H.*; Wang, Q.*; Shen, Y.*; Zhang, X.*; Hao, Y.*; Feng, Y.*; Shen, S.*; He, Z.*; Pan, B.*; Wang, W.*; et al.

Physical Review Letters, 122(21), p.217003_1 - 217003_5, 2019/05

 Times Cited Count:2 Percentile:45.7(Physics, Multidisciplinary)

Journal Articles

Chemical trapping of Sr vapor species by Zircaloy cladding under a specific chemical condition

Mohamad, A.*; Nakajima, Kunihisa; Suzuki, Eriko; Miwa, Shuhei; Osaka, Masahiko; Oishi, Yuji*; Muta, Hiroaki*; Kurosaki, Ken*

Proceedings of International Topical Workshop on Fukushima Decommissioning Research (FDR 2019) (Internet), 4 Pages, 2019/05

In the accident of Fukushima Daiichi Nuclear Power Station, formation of a volatile SrCl$$_{2}$$ could have occurred by the sea-water injection into the core. This can cause the release of non-volatile group Sr from the fuel to induce chemical reactions with reactor structural materials, such as stainless steel and Zircaloy (Zry) cladding. Such reactions could cause the changes in distribution of Sr in the reactor. Chemical reactions between Sr species and Zry were therefore investigated experimentally. As the result, it can be said that Sr vapor species were chemically trapped right after the release from fuel. This trapping effect of Sr by Zry-cladding implies a possibility of preferable Sr retention in the oxide phase of debris.

Journal Articles

Colossal barocaloric effects in plastic crystals

Li, B.*; Kawakita, Yukinobu; Kawamura, Seiko; Sugahara, Takeshi*; Wang, H.*; Wang, J.*; Chen, Y.*; Kawaguchi, Saori*; Kawaguchi, Shogo*; Ohara, Koji*; et al.

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

 Times Cited Count:43 Percentile:1.03(Multidisciplinary Sciences)

Refrigeration is of vital importance for modern society for example, for food storage and air conditioning- and 25 to 30% of the world's electricity is consumed for refrigeration. Current refrigeration technology mostly involves the conventional vapour compression cycle, but the materials used in this technology are of growing environmental concern because of their large global warming potential. As a promising alternative, refrigeration technologies based on solid-state caloric effects have been attracting attention in recent decades. However, their application is restricted by the limited performance of current caloric materials, owing to small isothermal entropy changes and large driving magnetic fields. Here we report colossal barocaloric effects (CBCEs) (barocaloric effects are cooling effects of pressure-induced phase transitions) in a class of disordered solids called plastic crystals. The obtained entropy changes in a representative plastic crystal, neopentylglycol, are about 389 joules per kilogram per kelvin near room temperature. Pressure-dependent neutron scattering measurements reveal that CBCEs in plastic crystals can be attributed to the combination of extensive molecular orientational disorder, giant compressibility and highly anharmonic lattice dynamics of these materials. Our study establishes the microscopic mechanism of CBCEs in plastic crystals and paves the way to next-generation solid-state refrigeration technologies.

Journal Articles

Modelling of cesium chemisorption under nuclear power plant severe accident conditions

Miradji, F.; Suzuki, Chikashi; Nishioka, Shunichiro; Suzuki, Eriko; Nakajima, Kunihisa; Osaka, Masahiko; Barrachin, M.*; Do, T. M. D.*; Murakami, Kenta*; Suzuki, Masahide*

Proceedings of 9th Conference on Severe Accident Research (ERMSAR 2019) (Internet), 21 Pages, 2019/03

JAEA Reports

Presentation Materials Related to Neutron Instruments in the Technical Study Meetings for Future MLF

Nakajima, Kenji; Harjo, S.; Yamada, Norifumi*; Oikawa, Kenichi; Kajimoto, Ryoichi

JAEA-Review 2018-032, 43 Pages, 2019/02

JAEA-Review-2018-032.pdf:9.78MB

A series of meetings to discuss future neutron/muon sources and instruments at Materials and Life Science Experimental Facility (MLF) in Japan Proton Accelerator Research Complex (J-PARC) has been held since 2017. Each of the neutron instrument groups in MLF proposed required features for future instruments, while addressing issues of the current instruments and facilities. This report compiles the presentation materials presented by the neutron instrument groups in the meetings to help future discussion for the coming MLF.

Journal Articles

Spin correlations of quantum spin liquid and quadrupole-ordered states of Tb$$_{2+x}$$Ti$$_{2-x}$$O$$_{7+y}$$

Kadowaki, Hiroaki*; Wakita, Mika*; F${aa}$k, B.*; Ollivier, J.*; Kawamura, Seiko; Nakajima, Kenji; Lynn, J. W.*

Physical Review B, 99(1), p.014406_1 - 014406_12, 2019/01

 Times Cited Count:3 Percentile:43.12(Materials Science, Multidisciplinary)

Spin correlations of the frustrated pyrochlore oxide Tb$$_{2+x}$$Ti$$_{2-x}$$O$$_{7+y}$$ have been investigated by using inelastic neutron scattering on single-crystalline samples (x = -0.007, 0.000, and 0.003), which have the putative quantum-spin-liquid (QSL) or electric-quadrupolar ground states. Spin correlations, which are notably observed in nominally elastic scattering, show short-range correlations around $$Gamma$$ points, tiny antiferromagnetic Bragg scattering at L and $$Gamma$$ points, and pinch-point-type structures around $$Gamma$$ points. The short-range spin correlations were analyzed using a random-phase approximation (RPA) assuming the paramagnetic state and two-spin interactions among Ising spins. These analyses have shown that the RPA scattering intensity well reproduces the experimental data using temperature- and x-dependent coupling constants of up to tenth-neighbor site pairs. This suggests that no symmetry breaking occurs in the QSL sample and that a quantum treatment beyond the semiclassical RPA approach is required. Implications of the experimental data and the RPA analyses are discussed.

Journal Articles

Synthesis and characterization of CeO$$_{2}$$-based simulated fuel containing CsI

Takamatsu, Yuki*; Ishii, Hiroto*; Oishi, Yuji*; Muta, Hiroaki*; Yamanaka, Shinsuke*; Suzuki, Eriko; Nakajima, Kunihisa; Miwa, Shuhei; Osaka, Masahiko; Kurosaki, Ken*

Nippon Genshiryoku Gakkai Wabun Rombunshi, 17(3/4), p.106 - 110, 2018/12

In order to establish the synthesis method of simulated fuel contacting Cesium (Cs) which is required for the evaluation of physical/chemical characteristics in fuel and release behavior of Cs, sintering tests of the cerium dioxide (CeO$$_{2}$$) based simulated fuels containing Cesium iodide (CsI) are performed by using spark plasma sintering (SPS) method. The sintered CeO$$_{2}$$ pellets with homogeneous distribution of several micro meter of CsI spherical precipitates were successfully obtained by optimizing SPS conditions.

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