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Namie, Masanari; Saito, Junichi; Oka, Ryotaro*; Kim, J.-H.*
Vacuum, 234, p.114038_1 - 114038_9, 2025/04
Times Cited Count：0 Percentile：0.00(Materials Science, Multidisciplinary)Fukuda, Takanari
Proceedings of 13th Korea-Japan Symposium on Nuclear Thermal Hydraulics and Safety (NTHAS13) (Internet), 10 Pages, 2024/11
Deepening the understanding of the molten core-concrete interaction (MCCI) is of the great importance for the sake of the severe accident managements as well as the fuel debris retrieval. Due to the difficulty to perform the experimental study with the extremely hot corium, the computational fluid dynamics (CFD) is expected to provide physical insights on the thermal-hydraulics taken place in the corium. The particle method are one of the CFDs that have advantages on seamless tracking of the multi-phase multi-component flow, typically involved in the MCCI. However, the adequacy of the modelling methods for the interfacial tension has not yet well investigated, especially for the general multi-phase flow with more than three phases. Hence, in this study, a simple liquid-liquid-gas three phase flow is analyzed with the existing two types of the interfacial tension models: the continuum surface force (CSF) model and the potential model. Through the comparison, it has been implied that the CSF model gives more accurate result with the satisfactory resolution, whereas the stability is strongly dependent on the resolution of the bulk fluid. On the other hand, the potential model outperforms in terms of the stability, presumably because it does not require the numerical estimation of the geometrical information. However the inter-particle potential force seems to induces locally unphysical pressure distribution, which can be especially detrimental on the multiple interface junctions.
Kato, Hiroyuki S.*; Muroyama, Mizuho*; Kobayakawa, Nano*; Muneyasu, Riku*; Tsuda, Yasutaka; Murase, Natsumi*; Watanabe, Seiya*; Yamada, Takashi*; Kanematsu, Yusuke*; Tachikawa, Masanori*; et al.
Journal of Physical Chemistry Letters (Internet), 15(43), p.10769 - 10776, 2024/10
Times Cited Count：1 Percentile：0.00(Chemistry, Physical)
7Kakiuchi, Takuhiro*; Anai, Ryota*; Saiki, Taiju*; Tsuda, Yasutaka; Yoshigoe, Akitaka
Journal of Physical Chemistry C, 128(31), p.13052 - 13063, 2024/08
Times Cited Count：0 Percentile：0.00(Chemistry, Physical)0xidation at the interface and the surface of Si(111) substrate with thin Hf films were studied using synchrotron radiation photoelectron spectroscopy in conjunction with supersonic oxygen molecular beams (SOMB). An Hf/Si(111) with a coverage of 0.5 monolayer (ML) included HfSi and HfSi
. Following exposures to thermal oxygen molecules with a translational energy (Et) of 0.03 eV, HfSi was oxidized into Hf
valence. Following SOMB irradiation with Et of 0.39 eV, the other HfSi could be oxidized into the Hf
. Following the thermal O
exposures, the metallic Hf was nonlocally oxidized to HfO via trapping-mediated dissociative adsorption. Meanwhile, the segregated Si atoms were oxidized by SOMB irradiation with 2.2 eV and SiO was generated on the surface.
Yamaguchi, Masatake; Ebihara, Kenichi; Tsuru, Tomohito; Itakura, Mitsuhiro
Materials Transactions, 64(11), p.2553 - 2559, 2023/11
Times Cited Count：9 Percentile：74.17(Materials Science, Multidisciplinary)We attempted to calculate the hydrogen trapping energies on the incoherent interfaces of MgZn
precipitates and MgSi crystallites in aluminum alloys from first-principles calculations. Since the unit cell containing the incoherent interface does not satisfy the periodic boundary condition, resulting in a discontinuity of crystal blocks, the hydrogen trapping energy was calculated in a region far from the discontinuity (vacuum) region. We found considerable trapping energies for hydrogen atoms at the incoherent interfaces consisting of assumed atomistic arrangement. We also conducted preliminary calculations of the reduction in the cohesive energy by hydrogen trapping on the incoherent interfaces of MgSi in the aluminum matrix.
Ebihara, Kenichi; Sekine, Daiki*; Sakiyama, Yuji*; Takahashi, Jun*; Takai, Kenichi*; Omura, Tomohiko*
International Journal of Hydrogen Energy, 48(79), p.30949 - 30962, 2023/09
Times Cited Count：0 Percentile：0.00(Chemistry, Physical)To understand hydrogen embrittlement (HE), which is one of the stress corrosion cracking of steel materials, it is necessary to know the H distribution in steel, which can be effectively interpreted by numerical simulation of thermal desorption spectra. In weld metals and TRIP steels, residual austenite significantly influences the spectra, but a clear H distribution is not well known. In this study, an originally coded two-dimensional model was used to numerically simulate the previously reported spectra of high-carbon ferritic-austenitic duplex stainless steels, and it was found that H is mainly trapped at the carbide surface when the amount of H in the steel is low and at the duplex interface when the amount of H is high. It was also found that the thickness dependence of the H desorption peak for the interface trap site is caused by a different reason than the conventional one.
Nakamura, Takafumi*; Yamamoto, Yukio*; Arakawa, Masakazu*; Maruyama, Akio*; Yoshigoe, Akitaka
Sangyo Oyo Kogakukai Rombunshi, 11(2), p.109 - 114, 2023/09
Surface chemistry experimental end-station at BL23SU in SPring-8 is widely used to study various surfaces and interfaces of functional materials by means of soft X-rays synchrotron radiation. To analyze surface chemical reactions between gas and solid surfaces, an accurate control of flow-rates of gases is essential. This paper describes a computerized automatic gas flow control system to improve the accuracy and reproducibility of gas-surface reaction experiments in the pressure range of ultra-high vacuum (molecular flow) conditions. The system uses feedback control to operate the slow-leak valve to control the gas-pressure. As a result, the system achieved results equivalent to those of a skilled experimenter.
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.
/GaN interfaces with suppressed Ga-oxide interlayer via sputter deposition of SiOOnishi, Kentaro*; Kobayashi, Takuma*; Mizobata, Hidetoshi*; Nozaki, Mikito*; Yoshigoe, Akitaka; Shimura, Takayoshi*; Watanabe, Heiji*
Japanese Journal of Applied Physics, 62(5), p.050903_1 - 050903_4, 2023/05
Times Cited Count：4 Percentile：52.19(Physics, Applied)While the formation of an GaO
interlayer is key to achieving SiO/GaN interfaces with low defect density, it can affect the reliability and stability of metal-oxide-semiconductor (MOS) devices if the annealing conditions are not properly designed. In the present study, we aimed to minimize the growth of the GaO layer on the basis of the sputter deposition of SiO on GaN. Synchrotron radiation X-ray photoelectron spectrometry measurements confirmed the suppressed growth of the GaO layer compared with a SiO/GaN structure formed by plasma-enhanced chemical vapor deposition. Negligible GaO growth was also observed when subsequent oxygen annealing up to 600
C was performed. A MOS device with negligible capacitance-voltage hysteresis, nearly ideal flat-band voltage, and low leakage current was demonstrated by performing oxygen and forming gas annealing at temperatures of 600C and 400C, respectively.
species at SiO/Si interfaces in Si dry oxidation; Comparison between p-Si(001) and n-Si(001) surfacesTsuda, Yasutaka; Yoshigoe, Akitaka; Ogawa, Shuichi*; Sakamoto, Tetsuya*; Yamamoto, Yoshiki*; Yamamoto, Yukio*; Takakuwa, Yuji*
Journal of Chemical Physics, 157(23), p.234705_1 - 234705_21, 2022/12
Times Cited Count：2 Percentile：16.05(Chemistry, Physical)Kobayashi, Taishi*; Fushimi, Tomokazu*; Mizukoshi, Hirofumi*; Motokawa, Ryuhei; Sasaki, Takayuki*
Langmuir, 38(48), p.14656 - 14665, 2022/12
Times Cited Count：3 Percentile：14.03(Chemistry, Multidisciplinary)no abstracts in English
(001) surface with supersonic seeded oxygen molecular beamKatsube, Daiki*; Ono, Shinya*; Inami, Eiichi*; Yoshigoe, Akitaka; Abe, Masayuki*
Vacuum and Surface Science, 65(11), p.526 - 530, 2022/11
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.
Kumada, Takayuki; Miura, Daisuke*; Akutsu, Kazuhiro*; Oishi, Kazuki*; Morikawa, Toshiaki*; Kawamura, Yukihiko*; Suzuki, Junichi*; Oku, Takayuki; Torikai, Naoya*; Niizeki, Tomotake*
Journal of Applied Crystallography, 55(5), p.1147 - 1153, 2022/10
Times Cited Count：2 Percentile：31.37(Chemistry, Multidisciplinary)Spin-contrast-variation neutron reflectivity obtains multiple reflectivity curves from a single sample and a single beam source. We used the strong point of the technique to reveal that, although methylated-perhydropolysilazane-derived silica layer has a higher porosity near the interface with acrylic urethane resin, the resin did not permeate the pore network.
Tajima, Hiroyuki*; Oue, Daigo*; Matsuo, Mamoru
Physical Review A, 106(3), p.033310_1 - 033310_8, 2022/09
Times Cited Count：5 Percentile：51.24(Optics)Kusaka, Ryoji; Watanabe, Masayuki
Journal of Physical Chemistry Letters (Internet), 13(30), p.7065 - 7071, 2022/08
Times Cited Count：10 Percentile：73.71(Chemistry, Physical) ambient on threshold voltage stability in 4H-SiC metal-oxide-semiconductor field-effect transistorsHosoi, Takuji*; Osako, Momoe*; Moges, K.*; Ito, Koji*; Kimoto, Tsunenobu*; Sometani, Mitsuru*; Okamoto, Mitsuo*; Yoshigoe, Akitaka; Shimura, Takayoshi*; Watanabe, Heiji*
Applied Physics Express, 15(6), p.061003_1 - 061003_5, 2022/06
Times Cited Count：6 Percentile：50.12(Physics, Applied)The combination of NO annealing and subsequent post-nitridation annealing (PNA) in CO ambient for SiO/SiC structures has been demonstrated to be effective in obtaining both high channel mobility and superior threshold voltage stability in SiC-based metal-oxide-semiconductor field-effect transistors (MOSFETs). N atoms on the SiO side of the SiO/SiC interface incorporated by NO annealing, which are plausible cause of charge trapping sites, could be selectively removed by CO-PNA at 1300C without oxidizing the SiC. CO-PNA was also effective in compensating oxygen vacancies in SiO, resulting high immunity against both positive and negative bias-temperature stresses.
Tamura, Kazuhisa; Akutsu-Suyama, Kazuhiro*; Cagnes, M.*; Darwish, T. A.*
ECS Advances (Internet), 1(2), p.020503_1 - 020503_5, 2022/06
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.
Sugihara, Kenta; Onodera, Naoyuki; Idomura, Yasuhiro; Yamashita, Susumu
Keisan Kogaku Koenkai Rombunshu (CD-ROM), 27, 5 Pages, 2022/06
The phase-field method has been successfully applied to various multi-phase flow problems as an interface tracking method for gas-liquid interfaces. However, the accuracy of the phase-field method depends on hyper-parameters, which are empirically adjusted for each problem. The phase-field method sustains sharp interfaces by the balance between the numerical viscosity of the advection term and the interface modification by the diffusion and anti-diffusion terms. Based on this fact, we propose a method for deriving the optimal hyper-parameters in a non-empirical manner by performing a basic error analysis of the interface advection.
0) MOS devicesNakanuma, Takato*; Kobayashi, Takuma*; Hosoi, Takuji*; Sometani, Mitsuru*; Okamoto, Mitsuo*; Yoshigoe, Akitaka; Shimura, Takayoshi*; Watanabe, Heiji*
Applied Physics Express, 15(4), p.041002_1 - 041002_4, 2022/04
Times Cited Count：9 Percentile：64.98(Physics, Applied)The leakage current and flat-band voltage (VFB) instability of NO-nitrided SiC (110) (a-face) MOS devices were systematically investigated. Although NO nitridation is effective in improving the interface properties, we found that it reduces the onset field of Fowler-Nordheim (F-N) current by about 1 MVcm
, leading to pronounced leakage current. Synchrotron X-ray photoelectron spectroscopy revealed that the nitridation reduces the conduction band offset at the SiO/SiC interface, corroborating the above finding. Furthermore, systematical positive and negative bias stress tests clearly indicated the VFB instability of nitrided a-face MOS devices against electron and hole injection.
Akutsu-Suyama, Kazuhiro*; Yamada, Norifumi*; Ueda, Yuki; Motokawa, Ryuhei; Narita, Hirokazu*
Applied Sciences (Internet), 12(3), p.1215_1 - 1215_10, 2022/02
Times Cited Count：6 Percentile：62.01(Chemistry, Multidisciplinary)no abstracts in English
