Structure of an aqueous RbCl solution in the gigapascal pressure range by neutron diffraction combined with empirical potential structure refinement modeling

Zhang, W. Q.*; Yamaguchi, Toshio*; Fang, C. H.*; Yoshida, Koji*; Zhou, Y. Q.*; Zhu, F. Y.*; Machida, Shinichi*; Hattori, Takanori; Li, W.*

Journal of Molecular Liquids, 348, p.118080_1 - 118080_11, 2022/02

https://doi.org/10.1016/j.molliq.2021.118080

The ion hydration and association and hydrogen-bonded water structure in an aqueous 3 mol/kg RbCl solution were investigated at 298 K/0.1 MPa, 298 K/1 GPa, 523 K/1 GPa, and 523 K/4 GPa by neutron diffraction combined with EPSR methods. The second hydration layer of Rb and Cl becomes evident under elevated pressure and temperature conditions. The average oxygen coordination number of Rb (Cl) in the first hydration layer increases from 6.3 (5.9) ambient pressure to 8.9 (9.1) at 4 GPa, while decreasing coordination distance from 0.290 nm (0.322 nm) to 0.288 nm (0.314 nm). The orientation of the water dipole in the first solvation shell of Rb and a central water molecule is sensitive to pressure, but that in the first solvation shell of Cl does not change very much. The number of contact-ion pairs Rb-Cl decreases with elevated temperature and increases with elevated pressure. Water molecules are closely packed, and the tetrahedral hydrogen-bonded network of water molecules no longer exists in extreme conditions.

Suppressed lattice disorder for large emission enhancement and structural robustness in hybrid lead iodide perovskite discovered by high-pressure isotope effect

Kong, L.*; Gong, J.*; Hu, Q.*; Capitani, F.*; Celeste, A.*; Hattori, Takanori; Sano, Asami; Li, N.*; Yang, W.*; Liu, G.*; et al.

Advanced Functional Materials, 31(9), p.2009131_1 - 2009131_12, 2021/02

https://doi.org/10.1002/adfm.202009131

The soft nature of organic-inorganic halide perovskites renders their lattice particularly tunable to external stimuli such as pressure, undoubtedly offering an effective way to modify their structure for extraordinary optoelectronic properties. However, these soft materials meanwhile feature a general characteristic that even a very mild pressure will lead to detrimental lattice distortion and weaken the critical light-matter interaction, thereby triggering the performance degradation. Here, using the methylammonium lead iodide as a representative exploratory platform, we observed the pressure-driven lattice disorder can be significantly suppressed via hydrogen isotope effect, which is crucial for better optical and mechanical properties previously unattainable.

Nature of structural instabilities in superconducting SrIrSn

Kaneko, Koji; Cheung, Y. W.*; Hu, Y.*; Imai, Masaki*; Tanioku, Yasuaki*; Kanagawa, Hibiki*; Murakawa, Joichi*; Moriyama, Kodai*; Zhang, W.*; Lai, K. T.*; et al.

JPS Conference Proceedings (Internet), 30, p.011032_1 - 011032_6, 2020/03

https://doi.org/10.7566/JPSCP.30.011032

Inverse odd-even staggering in nuclear charge radii and possible octupole collectivity in At revealed by in-source laser spectroscopy

Barzakh, A. E.*; Cubiss, J. G.*; Andreyev, A. N.; Seliverstov, M. D.*; Andel, B.*; Antalic, S.*; Ascher, P.*; Atanasov, D.*; Beck, D.*; Biero, J.*; et al.

Physical Review C, 99(5), p.054317_1 - 054317_9, 2019/05

https://doi.org/10.1103/PhysRevC.99.054317

Second-order structural transition in (CaSr)RhSn

Cheung, Y. W.*; Hu, Y. J.*; Goh, S. K.*; Kaneko, Koji; Tsutsui, Satoshi; Logg, P. W.*; Grosche, F. M.*; Kanagawa, Hibiki*; Tanioku, Yasuaki*; Imai, Masaki*; et al.

Journal of Physics; Conference Series, 807(3), p.032002_1 - 032002_4, 2017/04

BB2016-0329.pdf:0.86MB

https://doi.org/10.1088/1742-6596/807/3/032002

-delayed fission and decay of At

Truesdale, V. L.*; Andreyev, A. N.; Ghys, L.*; Huyse, M.*; Van Duppen, P.*; Sels, S.*; Andel, B.*; Antalic, S.*; Barzakh, A.*; Capponi, L.*; et al.

Physical Review C, 94(3), p.034308_1 - 034308_11, 2016/09

https://doi.org/10.1103/PhysRevC.94.034308

Carrier-mediated ferromagnetism in the magnetic topological insulator Cr-doped (Sb,Bi)Te

Ye, M.*; Li, W.*; Zhu, S.-Y.*; Takeda, Yukiharu; Saito, Yuji; Wang, J.*; Pan, H.*; Nurmamat, M.*; Sumida, Kazuki*; Ji, F.*; et al.

Nature Communications (Internet), 6, p.8913_1 - 8913_7, 2015/11

AA2015-0647.pdf:0.64MB

https://doi.org/10.1038/ncomms9913

Magnetically doped topological insulators are predicted to exhibit exotic phenomena including the quantized anomalous Hall effect and a dissipationless transport, which facilitate the development of low-power-consumption devices using electron spins. The realization of the quantized anomalous Hall effect is so far restricted to the Cr-doped (Sb,Bi)Te system at extremely low temperature; however, the microscopic origin of its ferromagnetism is poorly understood. Here we present an element-resolved study for Cr-doped (Sb,Bi)Te using X-ray magnetic circular dichroism to unambiguously show that the long-range magnetic order is mediated by the p-hole carriers of the host lattice, and the interaction between the Sb(Te) p and Cr d states is crucial.

EBR-II passive safety demonstration tests benchmark analyses; Phase 2

Briggs, L.*; Monti, S.*; Hu, W.*; Sui, D.*; Su, G. H.*; Maas, L.*; Vezzoni, B.*; Partha Sarathy, U.*; Del Nevo, A.*; Petruzzi, A.*; et al.

Proceedings of 16th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-16) (USB Flash Drive), p.3030 - 3043, 2015/08

The International Atomic Energy Agency Coordinated Research Project, "Benchmark Analyses of an EBR-II Shutdown Heat Removal Test" is in the third year of its four-year term. Nineteen participants representing eleven countries have simulated two of the most severe transients performed during the Shutdown Heat Removal Tests program conducted at Argonne's Experimental Breeder Reactor II. Benchmark specifications were created for these two transients, enabling project participants to develop computer models of the core and primary heat transport system, and simulate both transients. In phase 1 of the project, blind simulations were performed and then evaluated against recorded data. During phase 2, participants have refined their models to address areas where the phase 1 simulations did not predict as well as desired the experimental data. This paper describes the progress that has been made to date in phase 2 in improving on the earlier simulations and presents the direction of planned work for the remainder of the project.

Spontaneous formation of suboxidic coordination around Co in ferromagnetic rutile TiCoO film

Hu, W.*; Hayashi, Koichi*; Fukumura, Tomoteru*; Akagi, Kazuto*; Tsukada, Masaru*; Happo, Naohisa*; Hosokawa, Shinya*; Owada, Kenji; Takahashi, Masamitsu; Suzuki, Motohiro*; et al.

Applied Physics Letters, 106(22), p.222403_1 - 222403_5, 2015/06

https://doi.org/10.1063/1.4921847

Acute and obtuse rhombohedrons in the local structures of relaxor ferroelectric Pb(MgNb)O

Hu, W.*; Hayashi, Koichi*; Owada, Kenji; Chen, J.*; Happo, Naohisa*; Hosokawa, Shinya*; Takahashi, Masamitsu; Bokov, A.*; Ye, Z.-G*

Physical Review B, 89(14), p.140103_1 - 140103_5, 2014/04

https://doi.org/10.1103/PhysRevB.89.140103