Model catchments for testing biosphere assessment models of geological disposal

Yamaguchi, Masaaki; Suzuki, Yuji*; Kabasawa, Satsuki; Kato, Tomoko

JAEA-Data/Code 2024-001, 21 Pages, 2024/03

JAEA-Data-Code-2024-001.pdf:3.45MB
JAEA-Data-Code-2024-001-appendix(CD-ROM).zip:8.0MB

Model catchments have developed for use in testing various assessment models that can consider specific surface environmental conditions such as topography, riverine systems, and land use in the biosphere assessment of HLW geological disposal. The model catchments consist of the topography and riverine system of the catchment area created using existing tools, as well as land use and population distribution, river discharge, sediment flux data set by algorithms from topographical data. Datasets of three types of model watersheds (Types 1 to 3, watershed area: 730 to 770 km) with different topographical characteristics have released as raster data that can be handled by geographic information systems (GIS). Since the model catchments were created virtually reflecting as much as possible the main characteristics of Japan's surface environment, they can be used as a test bed for conducting hydraulic/mass transport analysis to set the GBI and compartment model.

Atomic bonding state of silicon oxide anodized in extremely diluted hydrofluoric solution

Arai, Taiki*; Yoshigoe, Akitaka; Motohashi, Mitsuya*

Zairyo No Kagaku To Kogaku, 60(5), p.153 - 158, 2023/10

Si oxide films are currently widely used as insulating materials in electronic devices and biomaterials. The atomic bonding state of these films significantly influences the properties of each device, thus it is particularly necessary to understand and control the chemical bonding state between Si and O in the films. In this study, the Si oxide films formed by anodic oxidation on Si substrate surfaces in extremely low concentrations of HF solutions were analyzed by X-ray photoelectron spectroscopy mainly focusing on Si2p and F1s spectra. Although the HF concentration is in the order of ppm, the films contain percent order of F atoms, suggesting the formation of Si-F and Si-O-F bonds in the films. It was also found that the different depth profiles for F and O atoms was observed, indicating that the surface reaction processes seem to be different depending on each element.

Application of vibrational sum frequency generation spectroscopy to studies of chemical reactions on water surface and actinide interface chemistry

Kusaka, Ryoji

Bunko Kenkyu, 72(4), p.155 - 162, 2023/08

Vibrational sum frequency generation (VSFG) spectroscopy is an optical second-order nonlinear vibrational spectroscopy using ultrashort pulse lasers. Because VSFG spectroscopy is a unique and powerful tool for studying molecular structures of interfaces, it has been widely used in many research fields. However, there still undoubtedly remains some VSFG research areas that have not studied well, partly because VSFG measurements are not so easily performed in comparison with relatively general spectroscopy methods. This review presented recent applications of VSFG spectroscopy to two research topics: (1) chemical reactions on water surfaces, and (2) actinide chemistry.

Study on chemical interaction between UO and Zr at precisely controlled high temperatures

Shirasu, Noriko; Sato, Takumi; Suzuki, Akihiro*; Nagae, Yuji; Kurata, Masaki

Journal of Nuclear Science and Technology, 60(6), p.697 - 714, 2023/06

https://doi.org/10.1080/00223131.2022.2138602

Interaction tests between UO and Zr were performed at precisely controlled high temperatures between 1840 and 2000 C to understand the interaction mechanism in detail. A Zr rod was inserted in a UO crucible and then heat-treated at a fixed temperature in Ar-gas flow for 10 min. After heating in the range of 1890 to 1930 C, the Zr rod was deformed to a round shape, in which the post-analysis detected the significant diffusion of U into the Zr region and the formation of a dominant -Zr(O) matrix and a small amount of U-Zr-O precipitates. The abrupt progress of liquefaction was observed in the sample heated at around 1940 C or higher. The higher oxygen concentration in the -Zr(O) matrix suppressed the liquefaction progress, due to the variation in the equilibrium state. The U-Zr-O melt formation progressed by the selective dissolution of Zr from the matrix, and the selective diffusion of U could occur via the U-Zr-O melt.

Work function lowering of LaB by monolayer hexagonal boron nitride coating for improved photo- and thermionic-cathodes

Yamaguchi, Hisato*; Yusa, Ryunosuke*; Wang, G.*; Pettes, M. T.*; Liu, F.*; Tsuda, Yasutaka; Yoshigoe, Akitaka; Abukawa, Tadashi*; Moody, N. A.*; Ogawa, Shuichi*

Applied Physics Letters, 122(14), p.141901_1 - 141901_7, 2023/04

https://doi.org/10.1063/5.0142591

A lowering of work function for LaB by monolayer hexagonal BN coating is reported. Photoemission electron microcopy (PEEM) and thermionic emission electron microscopy (TEEM) both revealed that the hBN coated region of a LaB(100) single crystal has lower work function compared to the bare (i.e., non-coated) and graphene coated regions. A larger decrease of work function for the hBN coated LaB(100) compared to graphene coated LaB(100) was qualitatively supported by our density functional theory (DFT) calculations. Adding an oxide layer in the calculations improved consistency between the calculation and experimental results. We followed up our calculations with synchrotron-radiation X-ray photoelectron spectroscopy (SR-XPS) and confirmed the presence of an oxide layer on our LaB.

Laboratory experiment on runoff of particles deposited on land surface by rainfall at accidents in the decommissioning stage

Shimada, Taro; Namekawa, Masakazu*; Miwa, Kazuji; Takeda, Seiji

Proceedings of Waste Management Symposia 2023 (WM2023) (Internet), 8 Pages, 2023/02

It is supposed that radioactive dust deposited at the land surface will be moved downstream and concentrated at the depression by overland flow at heavy rain after the accidental release of radioactive dusts accumulated at the filters in the decommissioning stage of nuclear facilities. The authors are developing a calculation code to evaluate distribution changes of radioactivity on the surface and public dose considering the conditions such as rainfall, topography and types of cover surface. It is necessary to construct methods for setting parameter values used for the calculations based on the actual situation. Therefore, the parameter values were obtained by the experiments where FeO powder spread on the cover surface such as smooth and aged-asphalt, concrete and bare soil, was eroded by overland flow and raindrops and they were collected at the lower end of the slope at a minute interval. The collected weights of overland flow and FeO powder were measured. Based on the Manning's roughness coefficient for smooth asphalt already known as a fixed value, the erosion velocity coefficient was evaluated. Then Manning's roughness coefficients for other cover surfaces were obtained using the erosion velocity coefficient. Manning's roughness coefficients were slightly smaller than the range of literature values. In addition, elevations for the cover surface were measured by 3D scanner as point cloud data, and the surface roughness were evaluated. The values of surface roughness and Manning's roughness coefficients had a correlation. It indicated a possibility to utilize the surface roughness to set the Manning's roughness coefficient for the evaluation of radioactivity distribution change by heavy rainfall.

Parameter optimization for turbulent boundary layer generation using ensemble Kalman filter

Onodera, Naoyuki; Idomura, Yasuhiro; Hasegawa, Yuta; Nakayama, Hiromasa

Dai-36-Kai Suchi Ryutai Rikigaku Shimpojiumu Koen Rombunshu (Internet), 3 Pages, 2022/12

We have developed a wind simulation code named CityLBM to realize wind digital twins. Mesoscale wind conditions are given as boundary conditions in CityLBM by using a nudging data assimilation method. It is found that conventional approaches with constant nudging coefficients fail to reproduce turbulent intensity in long time simulations, where atmospheric stability conditions change significantly. We propose a dynamic parameter optimization method for the nudging coefficient based on an ensemble Kalman filter. CityLBM was validated against plume dispersion experiments in the complex urban environment of Oklahoma City. The nudging coefficient was updated to reduce the error of the turbulent intensity between the simulation and the observation. The mean error of velocity variance is reduced by 10% compared to the conventional nudging method with a constant nudging coefficient.

Magnon mode transition in real space

Iida, Kazuki*; Kodama, Katsuaki; Inamura, Yasuhiro; Nakamura, Mitsutaka; Chang, L.-J.*; Shamoto, Shinichi

Scientific Reports (Internet), 12, p.20663_1 - 20663_7, 2022/12

https://doi.org/10.1038/s41598-022-22555-9

Spin excitation of an ilmenite FeTiO powder sample is measured by time-of-flight inelastic neutron scattering. The dynamic magnetic pair-density function is obtained from the dynamic magnetic structure factor by the Fourier transformation.

Restoration of oxygen vacancies on an anatase TiO(001) surface with supersonic seeded oxygen molecular beam

Katsube, Daiki*; Ono, Shinya*; Inami, Eiichi*; Yoshigoe, Akitaka; Abe, Masayuki*

Vacuum and Surface Science, 65(11), p.526 - 530, 2022/11

https://doi.org/10.1380/vss.65.526

The oxidation of oxygen vacancies at the surface of anatase TiO (001) was investigated by synchrotron radiation photoelectron spectroscopy and supersonic O beam (SSMB). The oxygen vacancies at the top surface and subsurface could be eliminated by the supply of hyperthermal oxygen molecules. Oxygen vacancies are present on the surface of anatase TiO(001) when it is untreated before transfer to a vacuum chamber. These vacancies, which are stable in the ambient condition, could also be effectively eliminated by using oxygen SSMB. This result is promising as a surface processing for various functional oxides.

Analysis of the electric double layer structure formed in an ionic liquid using neutron reflectivity

Tamura, Kazuhisa; Akutsu-Suyama, Kazuhiro*; Cagnes, M.*; Darwish, T. A.*

ECS Advances (Internet), 1(2), p.020503_1 - 020503_5, 2022/06

https://doi.org/10.1149/2754-2734/ac6963

The ionic liquid/Si electrode interface was investigated using neutron reflectivity. We precisely elucidated the structure of the electrical double layer formed at 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ([BMIM]TFSA)/Si(100) electrode interface with the orientation of the [BMIM]TFSA molecule using a partially deuterated [BMIM]TFSA. The results revealed that [BMIM]TFSA molecules form a layered structure. Cation and anion molecules are alternatingly stacked and molecules in the first three layers are horizontally oriented to the electrode surface at E = -1.2 V, i.e., on the negatively charged electrode surface. It was also revealed that the imidazole ring in [BMIM] cation is parallel to the electrode surface.