Yang, J.*; Ren, W.*; Zhao, X.*; Kikuchi, Tatsuya*; Miao, P.*; Nakajima, Kenji; Li, B.*; Zhang, Z.*
Journal of Materials Science and Technology, 99, p.55 - 60, 2022/02
High-entropy alloys are characteristic of extensive atomic occupational disorder on high-symmetric lattices, differing from traditional alloys. Here, we investigate magnetic and thermal transport properties of the prototype face-centered-cubic high-entropy alloy CrMnFeCoNi by combining physical properties measurements and neutron scattering. Direct-current (dc) and alternating-current (ac) magnetizations measurements indicate a mictomagnetic behavior with coexisting antiferromagnetic and ferromagnetic interactions in the entire temperature region and three anomalies are found at about 80, 50, and 20 K, which are related to the paramagnetic to antiferromagnetic transition, the antiferromagnetic to ferromagnetic transition, and the spin freezing, respectively. The electrical and thermal conductivities are significantly reduced compared to Ni and the temperature dependence of lattice thermal conductivity exhibits a glass-like plateau. Inelastic neutron scattering measurements suggest weak anharmonicity so that the thermal transport is expected to be dominated by the defect scattering.
Hashimoto, Shunsuke*; Nakajima, Kenji; Kikuchi, Tatsuya*; Kamazawa, Kazuya*; Shibata, Kaoru; Yamada, Takeshi*
Journal of Molecular Liquids, 342, p.117580_1 - 117580_8, 2021/11
Quasi-elastic neutron scattering (QENS) and pulsed-field-gradient nuclear magnetic resonance (PFGNMR) analyses of a nanofluid composed of silicon dioxide (SiO) nanoparticles and a base fluid of ethylene glycol aqueous solution were performed. The aim was to elucidate the mechanism increase in the thermal conductivity of the nanofluid above its theoretical value. The obtained experimental results indicate that SiO particles may decrease the self-diffusion coefficient of the liquid molecules in the ethylene glycol aqueous solution because of their highly restricted motion around these nanoparticles. At a constant temperature, the thermal conductivity increases as the self-diffusion coefficient of the liquid molecules decreases in the SiO nanofluids.
Okuma, Ryutaro*; Kofu, Maiko; Asai, Shinichiro*; Avdeev, M.*; Koda, Akihiro*; Okabe, Hirotaka*; Hiraishi, Masatoshi*; Takeshita, Soshi*; Kojima, Kenji*; Kadono, Ryosuke*; et al.
Nature Communications (Internet), 12(1), p.4382_1 - 4382_7, 2021/07
Kofu, Maiko; Watanuki, Ryuta*; Sakakibara, Toshiro*; Kawamura, Seiko; Nakajima, Kenji; Matsuura, Masato*; Ueki, Takeshi*; Akutsu, Kazuhiro*; Yamamuro, Osamu*
Scientific Reports (Internet), 11(1), p.12098_1 - 12098_8, 2021/06
Kawakita, Yukinobu; Kikuchi, Tatsuya*; Tahara, Shuta*; Nakamura, Mitsutaka; Inamura, Yasuhiro; Maruyama, Kenji*; Yamauchi, Yasuhiro*; Kawamura, Seiko; Nakajima, Kenji
JPS Conference Proceedings (Internet), 33, p.011071_1 - 011071_6, 2021/03
CuI is a well-known superionic conductor in a high temperature solid phase where the mobile cations migrate between interstitial sites in the f.c.c. sublattice formed by iodine ions. Even in the molten state, it shows several features suggesting collective or cooperative ionic motion. MD results show that Cu diffuses much faster than I. The Cu-Cu partial structure factor have a FSDP which indicates a medium-range ordering of Cu ions. Moreover the Cu-Cu partial pair distribution deeply penetrates into the nearest neighboring Cu-I shell. To reveal origin such anomalous behaviors of molten CuI, we performed quaiselastic neutron scattering (QENS) by the disk-chopper spectrometer AMATERAS at MLF, J-PARC. To interpret the total dynamic structure factor obtained from coherent QENS, the mode distribution analysis was applied. It is found that the motion of iodine is a kind of fluctuating within an almost local area while Cu ions diffuse much faster than iodine ions.
Nakajima, Kenji; Kawamura, Seiko; Kofu, Maiko; Murai, Naoki; Inamura, Yasuhiro; Kikuchi, Tatsuya*; Wakai, Daisuke*
JPS Conference Proceedings (Internet), 33, p.011089_1 - 011089_7, 2021/03
The recent update of AMATERAS, a cold-neutron disk-chopper spectrometer at Japan Proton Accelerator Research Complex (J-PARC), is reported. AMATERAS has been operating for a decade. Since 2017, some updates have been done or are underway, which include installing new detectors, replacing the vacuum system of the scattering chamber, and other works. We are also working on the re-investigation of the resolution function. Demonstration measurements were carried out at 1MW test operations done in 2018 and 2019. Plans of upgrading the spectrometer are currently being considered.
Nakagawa, Hiroshi; Yonetani, Yoshiteru*; Nakajima, Kenji; Kawamura, Seiko; Kikuchi, Tatsuya*; Inamura, Yasuhiro; Kataoka, Mikio*; Kono, Hidetoshi*
JPS Conference Proceedings (Internet), 33, p.011101_1 - 011101_6, 2021/03
Hydration water dynamics were measured by quasi-elastic neutron scattering with HnO/DO contrast for two DNA dodecamers, 5'CGCGCGCG'3 and 5'CGCGCGCG'3, which have been computationally shown to be structurally rigid and flexible, respectively. The dynamical transitions of the hydration water as well as DNA were observed for both sequences at approximately 240 K. Above the transition temperature, the mean square displacements of the hydration water for the rigid sequence were smaller than those for the flexible one. Furthermore, the relaxation time of the hydration water was longer in the rigid DNA than in the flexible DNA. We suggest that hydration water dynamics on the picosecond timescale are associated with sequence-dependent deformability of DNA.
Yamamoto, Naoki*; Kofu, Maiko; Nakajima, Kenji; Nakagawa, Hiroshi; Shibayama, Naoya*
Journal of Physical Chemistry Letters (Internet), 12(8), p.2172 - 2176, 2021/03
Hydration water plays a crucial role for activating the protein dynamics required for functional expression. Yet, the details are not understood about how hydration water couples with protein dynamics. A temperature hysteresis of the ice formation of hydration water is a key phenomenon to understand which type of hydration water, unfreezable or freezable hydration water, is crucial for the activation of protein dynamics. Using neutron scattering, we observed a temperature-hysteresis phenomenon in the diffraction peaks of the ice of freezable hydration water, whereas protein dynamics did not show any temperature hysteresis. These results show that the protein dynamics is not coupled with freezable hydration water dynamics, and unfreezable hydration water is essential for the activation of protein dynamics.
Zhai, Y.*; Luo, P.*; Nagao, Michihiro*; Nakajima, Kenji; Kikuchi, Tatsuya*; Kawakita, Yukinobu; Kienzle, P. A.*; Z, Y.*; Faraone, A.*
Physical Chemistry Chemical Physics, 23(12), p.7270 - 7232, 2021/03
Luo, P.*; Zhai, Y.*; Leao, J. B.*; Kofu, Maiko; Nakajima, Kenji; Faraone, A.*; Zhang, Y.*
Journal of Physical Chemistry Letters (Internet), 12(1), p.392 - 398, 2021/01
Using neutron spin-echo spectroscopy, we studied the microscopic structural relaxation of a prototypical network ionic liquid ZnCl at the structure factor primary peak and prepeak. The results show that the relaxation at the primary peak is faster than the prepeak and that the activation energy is % higher. A stretched exponential relaxation is observed even at temperatures well-above the melting point . Surprisingly, the stretching exponent shows a rapid increase upon cooling, especially at the primary peak, where it changes from a stretched exponential to a simple exponential on approaching the . These results suggest that the appearance of glassy dynamics typical of the supercooled state even in the equilibrium liquid state of ZnCl as well as the difference of activation energy at the two investigated length scales are related to the formation of a network structure on cooling.
Nawa, Kazuhiro*; Hirai, Daigoro*; Kofu, Maiko; Nakajima, Kenji; Murasaki, Ryo*; Kogane, Satoshi*; Kimata, Motoi*; Nojiri, Hiroyuki*; Hiroi, Zenji*; Sato, Taku*
Physical Review Research (Internet), 2(4), p.043121_1 - 043121_11, 2020/12
The spin excitations of the = anisotropic triangular antiferromagnet CaReOCl were investigated by inelastic neutron-scattering experiments. The spin excitation spectrum exhibits sharp dispersive modes in addition to a spinonlike continuum. The consistency with the simulated spectrum based on the random-phase approximation is better for CaReOCl than for CsCuCl, indicating that the spin system in the former remains closer to a Tomonaga-Luttinger liquidlike disordered state.
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
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 NaSnSeS 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.
Fujihara, Masayoshi*; Morita, Katsuhiro*; Mole, R.*; Mitsuda, Setsuo*; Toyama, Takami*; Yano, Shinichiro*; Yu, D.*; Sota, Shigetoshi*; Kuwai, Tomohiko*; Koda, Akihiro*; et al.
Nature Communications (Internet), 11(1), p.3429_1 - 3429_7, 2020/07
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(OD)Cl 0.6DO 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(OD)Cl 0.6DO, Cu ions form a geometrically perfect kagome network with antiferromagnetic . No intersite disorder between Cu and Ca ions is detected. CaCu(OD)Cl 0.6DO enters a magnetic long-range ordered state below = 7.2 K, and the =0 magnetic structure with negative vector spin chirality is obtained. The ordered moment at 0.3 K is suppressed to 0.58(2)B. Our DFT calculations indicate the presence of antiferromagnetic and ferromagnetic superexchange couplings of a strength which places the system at the crossroads of three magnetic orders (at the classical level) and a spin- PFFRG analysis shows a dominance of =0 type magnetic correlations, consistent with and indicating proximity to the observed =0 spin structure. The results suggest that this material is located close to a quantum critical point and is a good realization of a -- kagome antiferromagnet.
Guo, J.*; Zhao, X.*; Kawamura, Seiko; Ling, L.*; Wang, J.*; He, L.*; Nakajima, Kenji; Li, B.*; Zhang, Z.*
Physical Review Materials (Internet), 4(6), p.064410_1 - 064410_7, 2020/06
Ueda, Hiroshi*; Onoda, Shigeki*; Yamaguchi, Yasuhiro*; Kimura, Tsuyoshi*; Yoshizawa, Daichi*; Morioka, Toshiaki*; Hagiwara, Masayuki*; Hagiwara, Masato*; Soda, Minoru*; Masuda, Takatsugu*; et al.
Physical Review B, 101(14), p.140408_1 - 140408_6, 2020/04
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
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 -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 -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.
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
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
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.
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