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

https://doi.org/10.1246/cl.210402

Density functional theory calculation is applied to predict the stability constants for Eu and Am 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 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 selectivity over Eu.

Kinetic study on eutectic melting process between boron carbide and stainless steel in sodium-cooled fast reactor

Kikuchi, Shin; Sakamoto, Kan*; Takai, Toshihide; Yamano, Hidemasa

Nihon Kikai Gakkai 2020-Nendo Nenji Taikai Koen Rombunshu (Internet), 4 Pages, 2020/09

In a postulated severe accidental condition of sodium-cooled fast reactor (SFR), eutectic melting between boron carbide (BC) as control rod element and stainless steel (SS) as control rod cladding or related structure may occur. Thus, behavior of BC-SS eutectic melting is one of the phenomena to evaluate the core disruptive accidents in SFR. In order to clarify the kinetic feature of BC-SS eutectic melting process in the interface, the thinning test for SS crucibles using the pellets of BC or SS with low BC concentration were performed to obtain the rate constant with dependence of BC concentration against SS. It was found that the rate constants of eutectic melting between SS and SS low BC concentration were smaller than that of BC-SS in the high temperature range. Besides, the rate constant of eutectic melting between SS and BC containing SS became small when decreasing the BC concentration against SS.

Generalized formulation of extended cross-section adjustment method based on minimum variance unbiased linear estimation

Yokoyama, Kenji; Kitada, Takanori*

Journal of Nuclear Science and Technology, 56(1), p.87 - 104, 2019/01

https://doi.org/10.1080/00223131.2018.1531078

no abstracts in English

Determination of detrapping and trapping rate constants for hydrogen based on experimental thermal desorption spectra

Ebihara, Kenichi; Saito, Kei*; Takai, Kenichi*

Proceedings of 2016 International Hydrogen Conference (IHC 2016); Materials Performance in Hydrogen Environments, p.470 - 477, 2017/00

http://doi.org/10.1115/1.861387_ch53

For understanding hydrogen (H) embrittlement of steels, it is necessary to infer the state that defects trap H in the steels. Thermal desorption spectra of H obtained by the thermal desorption spectrometry (TDS) are used for inferring such a state. Because the thermal desorption spectra include the influence of experimental conditions and hydrogen diffusion as well as information of the defects trapping H, it is necessary to interpret the spectra using the numerical simulation. In the presentation, we determined the detrapping and the trapping rate constants which are necessary for the simulation from the experimental spectra obtained for plate specimens which is so small that H diffusion is ignorable. Then we confirmed that the model using the obtained rate constants can simulate the spectra of larger cylindrical specimens, so that it was found that the rate constant for small specimens can be used for the simulation of the spectra for specimens of different shape or size.

Cross-section adjustment methods based on minimum variance unbiased estimation

Yokoyama, Kenji; Yamamoto, Akio*

Journal of Nuclear Science and Technology, 53(10), p.1622 - 1638, 2016/10

AA2015-0624.pdf:0.29MB

https://doi.org/10.1080/00223131.2016.1146637

On the basis of the minimum variance approach, the unified formulation for three types of the cross-section adjustment methods has been derived in a straightforward way without assuming the normal distribution. These methods are intended to minimize the variances of the predicted target core parameters, the adjusted cross-section set, and the calculated integral experimental values. The first and the second methods are found to be slightly different from the extended and the conventional cross-section adjustment methods based on the Bayesian approach with the normal distribution assumption, respectively. However, they become equivalent in some cases and results. The third method is a new method, which is necessary from the viewpoint of the symmetry of the formulation. The derivation procedure proposed in the present paper is potentially applicable to developing more sophisticated cross-section adjustment methods because of the less assumptions on the probability density function.

Consideration of radiolytic behavior in diluted and concentrated systems of seawater for computational simulation of hydrogen generation

Nagaishi, Ryuji; Inoue, Masao; Hino, Ryutaro; Ogawa, Toru

Proceedings of 2014 Nuclear Plant Chemistry Conference (NPC 2014) (USB Flash Drive), 9 Pages, 2014/10

Since seawater has been used as a coolant for reactors and spent fuel pools in broken reactor buildings at Fukushima Daiichi NPS accident, radioactive contaminated water emitted following the accident has contained salt content of seawater at high concentrations, different from that at TMI-2 accident. Radiolysis of seawater leading to hydrogen generation and corrosion has been simulated and reported by several groups. However, the proposed radiolysis models cannot be always applied to water radiolysis at the wide range of salt concentrations present in the NPS, mainly because primary yields of radiolysis products of water and radiation-induced reactions are dependent on the salt concentration. In this study, the radiolytic behavior in diluted and concentrated systems of seawater was considered on the basis of results in steady state and pulse radiolysis experiments, in which the above salt effects were demonstrated from the obtained results.

Re/Os constraint on the time variability of the fine-structure constant

Fujii, Yasunori*; Iwamoto, Akira

Physical Review Letters, 91(26), p.261101_1 - 261101_4, 2003/12

https://doi.org/10.1103/PhysRevLett.91.261101

no abstracts in English

Phase relations between a fluorite and a pyrochlore structure in the system of actinides and zirconium oxides

Yamashita, Toshiyuki; Kuramoto, Kenichi; Nakada, Masami; Yamazaki, Satoshi*; Sato, Tsuyoshi*; Matsui, Tsuneo*

Journal of Nuclear Science and Technology, 39(Suppl.3), p.585 - 591, 2002/11

http://www.tandfonline.com/doi/abs/10.1080/00223131.2002.10875536

no abstracts in English

The Arrangement of the seismic design method of the underground facility

Tanai, Kenji; Horita, M.*; Dewa, Katsuyuki*; Goke, Mitsuo*

JNC TN8410 2001-026, 116 Pages, 2002/03

JNC-TN8410-2001-026.pdf:9.19MB

Earthquake resistance for the underground structure is higher than the ground structure. Therefore, the case of examining the earthquake resistance of underground structure was little. However, it carries out the research on the aseismic designing method of underground structure, since the tunnel was struck by Hyogo-ken Nanbu Earthquake, and it has obtained a much knowledge. However, an object of the most study was behavior at earthquake of the comparatively shallow underground structure in the alluvial plain board, and it not carry out the examination on behavior at earthquake of underground structure in the deep rock mass. In the meantime, underground disposal facility of the high level radioactive waste constructs in the deep underground, and it carries out the operation in these tunnels. In addition, it has made almost the general process of including from the construction start to the backfilling to be about 60 years (Japan Nuclear Fuel Cycle Development Institute, 1999). During these periods, it is necessary to also consider the earthquake resistance as underground structure from the viewpoint of the safety of facilities. Then, it extracted future problem as one of the improvement of the basis information for the decision of the safety standard and guideline of the country on earthquake-resistant design of the underground disposal facility, while it carried out investigation and arrangement of earthquake-resistant design cases, guidelines and analysis method on existing underground structure, etc.. And, the research item for the earthquake resistance assessment of underground structure as case study of the underground research laboratory.

Fundamental test results of grounding conductor with attenuator for high frequency noise

Okada, Kenichi*; Tsuneoka, Masaki; Murano, Yoshihiro*; Okawa, Yoshinao

Denki Setsubi Gakkai-Shi, 22(2), p.151 - 158, 2002/02

http://ci.nii.ac.jp/naid/10007998516

no abstracts in English