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Journal Articles

Random media criticality analysis using randomized Fourier series and incomplete randomized Weierstrass function

Ueki, Taro

Progress in Nuclear Energy, 191, p.106007_1 - 106007_11, 2026/01

 Times Cited Count:0 Percentile:0.00(Nuclear Science & Technology)

Criticality analysis of continuously mixed random media is crucial for safely retrieving fuel debris. Initially, a Monte Carlo method was established using the Incomplete Randomized Weierstrass Function (IRWF) to model a single-mode inverse power law power spectrum. However, image analysis showed that oxide debris mock-ups require a more complex model. To address this, a new function called the Randomized Fourier Series (RFS) was developed to represent arbitrary power spectra. RFS is versatile, incorporating Brownian motion models and aiding reactor physicists in analyzing various scenarios. Numerical results compare the fluctuation of neutron multiplication factor in various media generated by RFS and IRWF, identifying the spectral range most affecting k$$_{rm eff}$$.

Journal Articles

Concept for a cesium-free negative ion source based on microwave heating of a low work function granular material

Matsubara, Akihiro*; Kokubu, Yoko; Nishio, Kazuhisa*; Kimura, Kenji*; Kashimura, Keiichiro*; Shimada, Koji; Fujita, Natsuko

Nuclear Instruments and Methods in Physics Research B, 568, p.165863_1 - 165863_5, 2025/11

 Times Cited Count:0 Percentile:0.00(Instruments & Instrumentation)

We propose a concept for a cesium-free negative ion source based on microwave heating of granular low work function materials, which allows for both safety and high efficiency. This negative ion source features a structure where the plasma region and the negative ion generation region are adjacent within a microwave cavity. In the negative ion generation region, granular low work function materials heated by microwaves are placed. The sample gas entering the plasma region is excited, then it enters the negative ion generation region. Subsequently, it comes into contact with the surface of the low work function material, changes into negative ions, and finally, is extracted by an electric field. One advantage of this negative ion source is that, by using low work function materials in granular form, the reactive area is more than ten times larger compared to conventional negative ion sources using low work function materials.

Journal Articles

Structure of heavy quarkonia in a strong magnetic field

Arifi, A. J.; Suzuki, Kei

Physical Review D, 112(9), p.094013_1 - 094013_18, 2025/11

 Times Cited Count:1 Percentile:0.00(Astronomy & Astrophysics)

We investigate the structural modifications of heavy quarkonia in the presence of strong magnetic fields using a constituent quark model. By incorporating the effects of spin mixing and quark Landau levels, we employ a nonrelativistic Hamiltonian that captures the essential features of quark dynamics in a magnetic field. The two-body Schro$"o$dinger equation is solved using the cylindrical Gaussian expansion method, which respects the cylindrical symmetry induced by a magnetic field. We extract the corresponding light-front wave function (LFWF) densities and analyze their transverse and longitudinal structures, revealing characteristic features such as transverse momentum broadening. While the longitudinal structure is only slightly modified within the nonrelativistic Hamiltonian, we discuss some corrections that can significantly affect its longitudinal structure. Furthermore, we discuss the structure modifications of excited states and find notable changes in the LFWF densities, and state reshuffling near avoided crossings. These results demonstrate the sensitivity of hadron structure to external magnetic fields and help bridge our understanding to relativistic approaches.

Journal Articles

Extension of the dynamical Kubo-Toyabe model for precise analysis of ion dynamics in solids by $$mu$$SR

Ito, Takashi; Kadono, Ryosuke*

Kotai Butsuri, 60(4), p.197 - 206, 2025/04

We extended the dynamical Kubo-Toyabe model to resolve inconsistencies in a conventional protocol for $$mu$$SR-based analysis of ion dynamics in solids. Our new model not only provides a means for quantitative analysis based on the immobile-muon assumption, but also offers a method to evaluate the validity of this assumption.

Journal Articles

Response function measurement for a non-destructive gas-sheet beam profile monitor

Yamada, Ippei; Kamiya, Junichiro

Review of Scientific Instruments, 95(12), p.123308_1 - 123308_11, 2024/12

 Times Cited Count:2 Percentile:30.75(Instruments & Instrumentation)

A gas-sheet beam profile monitor enabling non-destructive two-dimensional profile measurements of a high-intensity beam by capturing an image of a beam-induced fluorescence was developed. For quantitative profile measurements, the monitor's response function comprising, e.g., the gas sheet density distribution and the detector's sensitivity distributions must be experimentally clarified because the monitor output is a converted profile with the response function. A response function measurement method was devised based on the beam-profile-measurement method formula of the monitor. The response function was obtained by injecting a thin electron beam into the developed monitor and scanning its center position in transverse. The measured response function was evaluated by the J-PARC 3 MeV, 60 mA H$$^-$$ beam profile measurement. The 2-D beam profile was successfully reconstructed with the measured response function within the 2.74% residual of the least-squares method and 6.01% experimental statistic deviation. The projected 1-D profiles agreed well with those measured using a wire-scanning-type profile monitor.

Journal Articles

Generalized extreme value analysis of efficient evaluation of extreme values in random media criticality calculations

Ueki, Taro

Progress in Nuclear Energy, 173, p.105236_1 - 105236_10, 2024/08

 Times Cited Count:1 Percentile:25.34(Nuclear Science & Technology)

The theme of this paper is how to efficiently analyse extreme realizations of neutron effective multiplication factor (keff) over random media replicas modelled by incomplete randomized Weierstrass function (IRWF). To this end, a new bounded amplification (BA) technique is applied to IRWF. Numerical results indicate that the BA-applied IRWF reduces a required number of random media replicas at least by an order of magnitude. To validate this efficiency gain, generalized extreme value (GEV) analysis is applied to a data set of keff values obtained without applying BA. It turns out that the extreme values of these keff values follow the Weibull distribution. Therefore, the theory of GEV guarantees the existence of the upper limit of these keff values, and the actually computed upper limit is indeed smaller than the top two keff values obtained from an order-of magnitude reduced number of BA-applied IRWF random media replicas. This means that the efficiency gain via BA has been confirmed by GEV analysis.

Journal Articles

Application of analytical wall functions to CFD analysis of condensation flow

Soma, Shu; Ishigaki, Masahiro*; Abe, Satoshi; Shibamoto, Yasuteru

Nuclear Engineering and Design, 416, p.112754_1 - 112754_18, 2024/01

 Times Cited Count:3 Percentile:30.64(Nuclear Science & Technology)

Journal Articles

Random media criticality analysis methods in Monte Carlo solver Solomon

Ueki, Taro

Proceedings of 12th International Conference on Nuclear Criticality Safety (ICNC2023) (Internet), 9 Pages, 2023/10

A Monte Carlo Solver Solomon has been under development as an object-oriented code written in the C++14 standards. It consists of regular capabilities of criticality safety analysis and a special capability of random media criticality. In the latter capability, Solomon is equipped with a class for the random media modeled by the incomplete randomized Weierstrass function (IRWF). By this modeling, the uncertainty of random media criticality can be evaluated by executing criticality calculations over many IRWF-replicas. However, it is impossible to know beforehand how many IRWF-replicas should be computed. To deal with this issue, a bounded amplification (BA) technique has been newly equipped in Solomon. Applying BA to IRWF, it is possible to reduce the number of IRWF-replicas by more than 95% in terms of the upper limit estimation of neutron effective multiplication factor. Solomon is also equipped with a voxel-overlay (VO). This functionality is shown to be valuable for evaluating the resonance self-shielding effect.

Journal Articles

Work function lowering of LaB$$_{6}$$ 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

 Times Cited Count:8 Percentile:59.01(Physics, Applied)

A lowering of work function for LaB$$_{6}$$ 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$$_{6}$$(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$$_{6}$$(100) compared to graphene coated LaB$$_{6}$$(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$$_{6}$$.

JAEA Reports

Improve long periodic ground motion evaluation with the epicenter on the border between Fukushima and Ibaraki prefectures in seismic design of nuclear facilities

Kirita, Fumio; Tominaga, Masahiro; Yamazaki, Toshihiko; Seshimo, Kazuyoshi; Uryu, Mitsuru

JAEA-Research 2022-006, 61 Pages, 2023/02

JAEA-Research-2022-006.pdf:6.24MB

Nuclear Fuel Cycle Engineering Laboratories (NCL) has been observing ground motion for a long time. On the border from northern Ibaraki prefecture to Fukushima prefecture, inland crustal earthquakes occur less frequently until the 2011 off the Pacific coast of Tohoku Earthquake (hereinafter referred to as Tohoku Earthquake). After Tohoku Earthquake, aftershocks have become more frequent in this area, and in the Hamadori region of Fukushima earthquake that a remarkable long periodic component was observed in the NCL seismic observation record. Until now there were no such things that long periodic components were observed at the observation points near the epicenter of April 2011 Fukushima earthquake, but it was thought basin structure in deep basement around the NCL affected the propagation process to NCL by reflection survey result. As basement structure of NCL affected the seismic wave propagation process, the seismic wave repeatedly reflects and refracts. For that reason, long periodic components of seismic waves may be possibly amplified. In this study, in order to refine the long periodic ground motion evaluation, using a three dimensional ground structure model (3D model) that can reflect the shape of the deep basement structure around the NCL. When modeling 3D ground structure which has a width of about 80km and a length of about 110km and ranges from the epicenter area of April 2011 Fukushima earthquake to the northern coastal area of Ibaraki prefecture modeled, improved the optimum ground structure model using multiple observation records and performed simulation analysis.

Journal Articles

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

 Times Cited Count:2 Percentile:23.15(Multidisciplinary Sciences)

Spin excitation of an ilmenite FeTiO$$_{3}$$ powder sample is measured by time-of-flight inelastic neutron scattering. The dynamic magnetic pair-density function $$D_{M}(r,E)$$ is obtained from the dynamic magnetic structure factor $$S_{M}(Q,E)$$ by the Fourier transformation.

Journal Articles

Displacement of hydrogen position in di-hydride of V-Ti-Cr solid solution alloys

Sakaki, Koji*; Kim, H.*; Majzoub, E. H.*; Machida, Akihiko*; Watanuki, Tetsu*; Ikeda, Kazutaka*; Otomo, Toshiya*; Mizuno, Masataka*; Matsumura, Daiju; Nakamura, Yumiko*

Acta Materialia, 234, p.118055_1 - 118055_10, 2022/08

 Times Cited Count:26 Percentile:83.55(Materials Science, Multidisciplinary)

Journal Articles

Absolute quantification of $$^{137}$$Cs activity in spent nuclear fuel with calculated detector response function

Sato, Shunsuke*; Nauchi, Yasushi*; Hayakawa, Takehito*; Kimura, Yasuhiko; Kashima, Takao*; Futakami, Kazuhiro*; Suyama, Kenya

Journal of Nuclear Science and Technology, 60(6), p.615 - 623, 2022/06

 Times Cited Count:0 Percentile:0.00(Nuclear Science & Technology)

A new non-destructive method for evaluating $$^{137}$$Cs activity in spent nuclear fuels was proposed and experimentally demonstrated for physical measurements in burnup credit implementation. $$^{137}$$Cs activities were quantified using gamma ray measurements and numerical detector response simulations without reference fuels, in which $$^{137}$$Cs activities are well known. Fuel samples were obtained from a lead use assembly (LUA) irradiated in a commercial pressurized water reactor (PWR) up to 53 GWd/t. Gamma rays emitted from the samples were measured using a bismuth germinate (BGO) scintillation detector through a collimator attached to a hot cell. The detection efficiency of gamma rays with the detector was calculated using the PHITS particle transport calculation code considering the measurement geometry. The relative activities of $$^{134}$$Cs, $$^{137}$$Cs, and $$^{154}$$Eu in the sample were measured with a high-purity germanium (HPGe) detector for more accurate simulations of the detector response for the samples. The absolute efficiency of the detector was calibrated by measuring a standard gamma ray source in another geometry. $$^{137}$$Cs activity in the fuel samples was quantified using the measured count rate and detection efficiency. The quantified $$^{137}$$Cs activities agreed well with those estimated using the MVP-BURN depletion calculation code.

Journal Articles

Fully chelating N$$_{3}$$O$$_{2}$$-pentadentate planar ligands designed for the strongest and selective capture of uranium from seawater

Mizumachi, Takumi*; Sato, Minami*; Kaneko, Masashi; Takeyama, Tomoyuki*; Tsushima, Satoru*; Takao, Koichiro*

Inorganic Chemistry, 61(16), p.6175 - 6181, 2022/04

 Times Cited Count:10 Percentile:59.23(Chemistry, Inorganic & Nuclear)

Based on unique 5-fold equatorial coordination of UO$$_{2}$$$$^{2+}$$, water-compatible pentadentate planar ligands, H$$_{2}$$saldian and its derivatives, were designed as strong and selective capture of UO$$_{2}$$$$^{2+}$$ in seawater. In the simulated seawater condition (0.5 M NaCl + 2.3 mM HCO$$_{3}$$$$^{-}$$/CO$$_{3}$$$$^{2-}$$, pH 8), saldian$$^{2-}$$ shows the strongest complexation with UO$$_{2}$$$$^{2+}$$ to form UO$$_{2}$$(saldian) (log$$beta$$$$_{11}$$ = 28.05 $$pm$$ 0.07), which is more than 10 order of magnitude greater than amidoxime-based or -inspired ligand systems most commonly employed for U capture from seawater. Good selectivity for UO$$_{2}$$$$^{2+}$$ from other metal ions coexisting in seawater was also demonstrated.

Journal Articles

Defect equilibria and thermophysical properties of CeO$$_{2-x}$$ based on experimental data and density functional theory calculation result

Watanabe, Masashi; Nakamura, Hiroki; Suzuki, Kiichi; Machida, Masahiko; Kato, Masato

Journal of the American Ceramic Society, 105(3), p.2248 - 2257, 2022/03

 Times Cited Count:3 Percentile:11.86(Materials Science, Ceramics)

Properties of CeO$$_{2}$$ were evaluated by DFT simulation to determine band gap, Frenkel defect formation energy and defect migration energy. Band gap and Frenkel defect formation energy were used to analyze defect equilibria. Oxygen partial pressure dependence of defect equilibria was evaluated based on oxygen potential experimental data and DFT calculation, and a Brouwer diagram was derived. The defect formation energies, including Frenkel defect, electron-hole pair and so on, were determined and used to evaluate the properties, including oxygen diffusion coefficients, electrical conduction, heat capacity and thermal conductivity. Mechanisms of various properties were discussed for a deeper understanding based on defect chemistry, and the relationship among properties were systematically described.

Journal Articles

Weierstrass function methodology for uncertainty analysis of random media criticality with spectrum range control

Ueki, Taro

Progress in Nuclear Energy, 144, p.104099_1 - 104099_7, 2022/02

AA2021-0677.pdf:0.99MB

 Times Cited Count:3 Percentile:32.67(Nuclear Science & Technology)

Randomized Weierstrass function (RWF) has been under development for evaluating the uncertainty of random media criticality due to the material mixture under disorder. In this work, the modelling capability of RWF is refined so that the spectrum range can be controlled by specifying its lower and upper ends of the frequency domain variable. As a result, it becomes possible to make fair criticality comparison among replicas of random media under inverse power law power spectra. Technically, the infinite sum of trigonometric terms in RWF is extended to cover the arbitrarily low frequency domain and then truncated to finite terms for the sole purpose of spectrum range control. This means that the refinement is free of the convergence issue towards a fractal characteristic of Weierstrass function and thus termed Incomplete Randomized Weierstrass function (IRWF). As a demonstration, a three-dimensional version of IRWF is applied to the mixture of three fuels with different burnups in a water-moderated environment. Monte Carlo criticality calculations are carried out to evaluate the uncertainty of neutron effective multiplication factor due to the indeterminacy of the fuel mixture formation.

Journal Articles

Density functional study aiming to elucidate separation mechanisms of minor actinides and rare earths

Kaneko, Masashi

Nihon Genshiryoku Gakkai-Shi ATOMO$$Sigma$$, 64(1), p.30 - 34, 2022/01

Partitioning of minor actinides from rare earths is one of the most important techniques to develop group separation of high-level radioactive liquid waste. In this issue, the results of prediction of separation performance between minor actinides and rare earths observed in solvent extraction and the separation mechanism by means of using density functional theory are explained.

Journal Articles

Prediction of stability constants for novel chelates design in minor actinides partitioning over lanthanides using density functional theory calculation

Kaneko, Masashi; Sasaki, Yuji; Wada, Eriko*; Nakase, Masahiko*; Takeshita, Kenji*

Chemistry Letters, 50(10), p.1765 - 1769, 2021/10

 Times Cited Count:0 Percentile:0.00(Chemistry, Multidisciplinary)

Density functional theory calculation is applied to predict the stability constants for Eu$$^{3+}$$ and Am$$^{3+}$$ complexes in aqueous solution for molecular modelling of novel separation agents for minor actinides over lanthanides. Logarithm of experimental stability constants correlates with calculated complex formation enthalpies with high reproducibility (R$$^{2}$$ $$>$$ 0.98). Prediction of stability constants of novel chelates is demonstrated and indicates a potential availability of the derivatives of diethylenetriaminepentaacetic acid type chelate in acidic condition and enhancement of Am$$^{3+}$$ selectivity over Eu$$^{3+}$$.

Journal Articles

Density functional theory study on the $$^{193}$$Ir M$"o$ssbauer spectroscopic parameters of Vaska's complexes and their oxidative adducts

Kaneko, Masashi; Nakashima, Satoru*

Inorganic Chemistry, 60(17), p.12740 - 12752, 2021/09

 Times Cited Count:6 Percentile:37.97(Chemistry, Inorganic & Nuclear)

In the present study, density functional theory (DFT) calculation was applied to Vaska's complexes of formula ${it trans}$-[IrCl(CO)(PPh$$_{3}$$)$$_{2}$$], and their oxidative adducts with small molecules (YZ) including H$$_{2}$$, i.e., ${it trans}$-[IrCl(YZ)(CO))(PPh$$_{3}$$)$$_{2}$$], to successfully correlate the electronic states of the complexes with the corresponding $$^{193}$$Ir M$"o$ssbauer spectroscopic parameters. After confirming the reproducibility of the DFT methods for elucidating the equilibrium structures and $$^{193}$$Ir M$"o$ssbauer isomer shifts of the octahedral Ir complexes, the isomer shifts and quadrupole splitting values of Vaska's complexes and their oxidative adducts were calculated. A bond critical point analysis revealed that the tendency in the isomer shifts was correlated with the strength of the covalent interaction in the coordination bonds. In an electric field gradient (EFG) analysis of the oxidative adducts, the sign of the principal axis was found to be positive for the complex with YZ = Cl$$_{2}$$ and negative for the complex with YZ = H$$_{2}$$. This reversal of the sign of the EFG principal axis was caused by the difference in the electron density distribution for the coordination bonds between Ir and YZ, according to a density of states analysis.

Journal Articles

Density functional study on Am(III)/Eu(III) selectivity using crown ether type ligands

Fukasawa, Yuto*; Kaneko, Masashi; Nakashima, Satoru*

Journal of Radioanalytical and Nuclear Chemistry, 329(1), p.77 - 84, 2021/07

 Times Cited Count:1 Percentile:7.75(Chemistry, Analytical)

Density functional theory calculations were applied to understand the selectivity between Am$$^{3+}$$ and Eu$$^{3+}$$ ions with the crown ethers type ligands. 18C6 is predicted to form the most stable complex with Eu$$^{3+}$$ and show the higher stability for Am$$^{3+}$$ over Eu$$^{3+}$$, being consistent with previously reported Am$$^{3+}$$/Eu$$^{3+}$$ selectivity. We modeled N- and S-donor complexes by using framework of 18C6 complex and analyzed the complexation Gibbs energies, indicating that 18C6 with N-donor atoms is suitable for both complexation and higher Am$$^{3+}$$ stability over Eu$$^{3+}$$ due to the stronger covalent interaction.

289 (Records 1-20 displayed on this page)