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

https://doi.org/10.1088/1367-2630/aba98f

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.

The Joint evaluated fission and fusion nuclear data library, JEFF-3.3

Plompen, A. J. M.*; Cabellos, O.*; De Saint Jean, C.*; Fleming, M.*; Algora, A.*; Angelone, M.*; Archier, P.*; Bauge, E.*; Bersillon, O.*; Blokhin, A.*; et al.

European Physical Journal A, 56(7), p.181_1 - 181_108, 2020/07

https://doi.org/10.1140/epja/s10050-020-00141-9

The Joint Evaluated Fission and Fusion nuclear data library 3.3 is described. New evaluations for neutron-induced interactions with the major actinides U, U and Pu, on Am and Na, Ni, Cr, Cu, Zr, Cd, Hf, W, Au, Pb and Bi are presented. It includes new fission yileds, prompt fission neutron spectra and average number of neutrons per fission. In addition, new data for radioactive decay, thermal neutron scattering, gamma-ray emission, neutron activation, delayed neutrons and displacement damage are presented. JEFF-3.3 was complemented by files from the TENDL project. The libraries for photon, proton, deuteron, triton, helion and alpha-particle induced reactions are from TENDL-2017. The demands for uncertainty quantification in modeling led to many new covariance data. A comparison between results from model calculations using the JEFF-3.3 library and those from benchmark experiments for criticality, delayed neutron yields, shielding and decay heat, reveals that JEFF-3.3 is excellent for a wide range of nuclear technology applications, in particular nuclear energy.

Spallation and fragmentation cross sections for 168 MeV/nucleon Xe ions on proton, deuteron, and carbon targets

Sun, X. H.*; Wang, H.*; Otsu, Hideaki*; Sakurai, Hiroyoshi*; Ahn, D. S.*; Aikawa, Masayuki*; Fukuda, Naoki*; Isobe, Tadaaki*; Kawakami, Shunsuke*; Koyama, Shumpei*; et al.

Physical Review C, 101(6), p.064623_1 - 064623_12, 2020/06

https://doi.org/10.1103/PhysRevC.101.064623

The spallation and fragmentation reactions of Xe induced by proton, deuteron and carbon at 168 MeV/nucleon were studied at RIKEN Radioactive Isotope Beam Factory via the inverse kinematics technique. The cross sections of the lighter products are larger in the carbon-induced reactions due to the higher total kinetic energy of carbon. The energy dependence was investigated by comparing the newly obtained data with previous results obtained at higher reaction energies. The experimental data were compared with the results of SPACS, EPAX, PHITS and DEURACS calculations. These data serve as benchmarks for the model calculations.

Shell structure of the neutron-rich isotopes Co

Lokotko, T.*; Leblond, S.*; Lee, J.*; Doornenbal, P.*; Obertelli, A.*; Poves, A.*; Nowacki, F.*; Ogata, Kazuyuki*; Yoshida, Kazuki; Authelet, G.*; et al.

Physical Review C, 101(3), p.034314_1 - 034314_7, 2020/03

https://doi.org/10.1103/PhysRevC.101.034314

The structures of the neutron-rich Co isotopes were investigated via () knockout reactions at the Radioactive Isotope Beam Factory, RIKEN. Level schemes were reconstructed using the coincidence technique, with tentative spin-parity assignments based on the measured inclusive and exclusive cross sections. Comparison with shell-model calculations suggests coexistence of spherical and deformed shapes at low excitation energies in the Co isotopes.

Cesium chemisorbed species onto stainless steel surfaces; An Atomistic scale study

Miradji, F.; Suzuki, Chikashi; Nakajima, Kunihisa; Osaka, Masahiko

Journal of Physics and Chemistry of Solids, 136, p.109168_1 - 109168_9, 2020/01

https://doi.org/10.1016/j.jpcs.2019.109168

Comparison of heavy-ion transport simulations; Collision integral with pions and resonances in a box

Ono, Akira*; Xu, J.*; Colonna, M.*; Danielewicz, P.*; Ko, C. M.*; Tsang, M. B.*; Wang, Y,-J.*; Wolter, H.*; Zhang, Y.-X.*; Chen, L.-W.*; et al.

Physical Review C, 100(4), p.044617_1 - 044617_35, 2019/10

https://doi.org/10.1103/PhysRevC.100.044617

International comparison of heavy-ion induced reaction models were discussed in the international conference "Transport2017" held in April 2017. Owing to their importance for safety assessment of heavy-ion accelerators and dosimetry of astronauts, various models to simulate heavy-ion induced reaction models are developed. This study is intended to clarify the difference among them to pinpoint their problems. In the comparison study, 320 protons and neutrons were packed in a 20-fm-large cube to calculate the number and energies of collisions during the time evolution. The author contributed to this study by running calculation using JQMD (JAERI Quantum Molecular Dynamics). This study showed that time step in the calculation is one of the biggest causes of the discrepancies. For example, the calculation by JQMD comprises 1-fm/c time steps, each of which is composed of transport, scattering and decay phases. Therefore a sequence of scattering, and decay followed by another scattering in 1 fm/c cannot be considered. Moreover, in JQMD particles are labeled by sequential numbers and scattering reactions are simulated by the order. Therefore scattering between low ID numbers, that between high ID numbers and that between the first (low ID) pair is overlooked in JQMD. Above indications obtained in this study must be kept in our mind for future JQMD upgrades.

Routing study of above core structure with mock-up experiment for ASTRID

Takano, Kazuya; Sakamoto, Yoshihiko; Morohoshi, Kyoichi*; Okazaki, Hitoshi*; Gima, Hiromichi*; Teramae, Takuma*; Ikarimoto, Iwao*; Botte, F.*; Dirat, J.-F.*; Dechelette, F.*

Proceedings of 2019 International Congress on Advances in Nuclear Power Plants (ICAPP 2019) (Internet), 8 Pages, 2019/05

ASTRID has the objective to integrate innovative options in order to prepare the 4th generation reactors. In ASTRID, large number of tubes are installed above each fuel subassembly to monitor the core. These instrumentations such as thermocouples (TC) and Failed Fuel Detection and Location (FFDL) systems are integrated into Above Core Structure (ACS) with various sizes tubes. In the present study, the routing study for TC tubes and FFDL tubes was performed with 3D modeling and mock-up experiment of the ACS designed for ASTRID with 1500 MW thermal power in order to clarify the integration process and secure the design hypotheses. Although some problems on fabricability were found in the mock-up experiment, the possible solutions were proposed. The present study gives manufacturing feedback to design team and will contribute to increase the knowledge for ACS design and fabricability.

Coolability evaluation of debris bed on core catcher in a sodium-cooled fast reactor

Matsuo, Eiji*; Sasa, Kyohei*; Koyama, Kazuya*; Yamano, Hidemasa; Kubo, Shigenobu; Hourcade, E.*; Bertrand, F.*; Marie, N.*; Bachrata, A.*; Dirat, J. F.*

Proceedings of 27th International Conference on Nuclear Engineering (ICONE-27) (Internet), 5 Pages, 2019/05

Discharged molten-fuel from the core during Core Disruptive Accident (CDA) could become solidified particle debris by fuel-coolant interaction in the lower sodium plenum, and then the debris could form a bed on a core catcher located at the bottom of the reactor vessel. Coolability evaluations for the debris bed are necessary for the design of the core catcher. The purpose of this study is to evaluate the coolability of the debris bed on the core catcher for the ASTRID design. For this purpose, as a first step, the coolability calculations of the debris beds formed both in short term and later phase have been performed by modeling only the debris bed itself. Thus, details of core catcher design and decay heat removal system are not described in this paper. In all the calculations, coolant temperature around the debris bed is a parameter. The calculation tool is the debris bed module implemented into a one-dimensional plant dynamics code, Super-COPD. The evaluations have shown that the debris beds formed both in short term and later phase are coolable by the design which secures sufficient coolant flow around the core catcher located in the cold pool.

The Surface composition of asteroid 162173 Ryugu from Hayabusa2 near-infrared spectroscopy

Kitazato, Kohei*; Milliken, R. E.*; Iwata, Takahiro*; Abe, Masanao*; Otake, Makiko*; Matsuura, Shuji*; Arai, Takehiko*; Nakauchi, Yusuke*; Nakamura, Tomoki*; Matsuoka, Moe*; et al.

Science, 364(6437), p.272 - 275, 2019/04

https://doi.org/10.1126/science.aav7432

The near-Earth asteroid 162173 Ryugu, the target of Hayabusa2 sample return mission, is believed to be a primitive carbonaceous object. The Near Infrared Spectrometer (NIRS3) on Hayabusa2 acquired reflectance spectra of Ryugu's surface to provide direct measurements of the surface composition and geological context for the returned samples. A weak, narrow absorption feature centered at 2.72 micron was detected across the entire observed surface, indicating that hydroxyl (OH)-bearing minerals are ubiquitous there. The intensity of the OH feature and low albedo are similar to thermally- and/or shock-metamorphosed carbonaceous chondrite meteorites. There are few variations in the OH-band position, consistent with Ryugu being a compositionally homogeneous rubble-pile object generated from impact fragments of an undifferentiated aqueously altered parent body.

Nuclear structure of Ni from the (,) reaction

Elekes, Z.*; Kripk, *; Sohler, D.*; Sieja, K.*; Ogata, Kazuyuki*; Yoshida, Kazuki; Doornenbal, P.*; Obertelli, A.*; Authelet, G.*; Baba, Hidetada*; et al.

Physical Review C, 99(1), p.014312_1 - 014312_7, 2019/01

https://doi.org/10.1103/PhysRevC.99.014312

The nuclear structure of the Ni nucleus was investigated by (,) reaction using a NaI(Tl) array to detect the deexciting prompt rays. A new transition with an energy of 2227 keV was identified by and coincidences. Our shell-model calculations using the Lenzi, Nowacki, Poves, and Sieja interaction produced good candidates for the experimental proton hole states in the observed energy region, and the theoretical cross sections showed good agreement with the experimental values. Although we could not assign all the experimental states to the theoretical ones unambiguously, the results are consistent with a reasonably large Z = 28 shell gap for nickel isotopes in accordance with previous studies.