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.

Revising the 4 symmetry in CeCuGe; Soft X-ray absorption and hard X-ray photoemission spectroscopy

Aratani, Hidekazu*; Nakatani, Yasuhiro*; Fujiwara, Hidenori*; Kawada, Moeki*; Kanai, Yuina*; Yamagami, Kohei*; Fujioka, Shuhei*; Hamamoto, Satoru*; Kuga, Kentaro*; Kiss, Takayuki*; et al.

Physical Review B, 98(12), p.121113_1 - 121113_6, 2018/09

AA2018-0352.pdf:1.16MB

https://doi.org/10.1103/PhysRevB.98.121113

Chemical form analysis of reaction products in Cs-adsorption on stainless steel by means of HAXPES and SEM/EDX

Kobata, Masaaki; Okane, Tetsuo; Nakajima, Kunihisa; Suzuki, Eriko; Owada, Kenji; Kobayashi, Keisuke*; Yamagami, Hiroshi; Osaka, Masahiko

Journal of Nuclear Materials, 498, p.387 - 394, 2018/01

https://doi.org/10.1016/j.jnucmat.2017.10.035

In this study, for the understandings of Cesium (Cs) adsorption behavior on structure materials in severe accidents at a light water nuclear reactor, the chemical state of Cs and its distribution on the surface of SUS304 stainless steel (SS) with different Si concentration were investigated by hard X-ray photoelectron spectroscopy (HAXPES) and scanning electron microscope / energy dispersive X-ray spectroscopy (SEM/EDX). As a result, it was found that Cs is selectively adsorbed at the site where Si distributes with high concentration. CsFeSiO is a dominant Cs products in the case of low Si content, mainly formed, while CsSiO and CsSiO are formed in addition to CsFeSiO in the case of high Si content. The chemical forms of the Cs compounds produced in the adsorption process on the SS surface has a close correlation with the concentration and chemical states of Si originally included in SS.

Negative correlation between electrical response and domain size in a Ti-composition-gradient Pb[(MgNb)Ti]O crystal near the morphotropic phase boundary

Shimizu, Daisuke*; Tsukada, Shinya*; Matsuura, Masato*; Sakamoto, Junya*; Kojima, Seiji*; Namikawa, Kazumichi*; Mizuki, Junichiro; Owada, Kenji

Physical Review B, 92(17), p.174121_1 - 174121_5, 2015/11

https://doi.org/10.1103/PhysRevB.92.174121

The phase diagram and the relationship between the crystal coherence length and electrical response of Pb[(MgNb)Ti]O (PMN-xPT) near the morphotropic phase boundary (MPB) have been precisely investigated using a single crystal with a Ti composition gradient by synchrotron X-ray diffraction and inelastic light scattering at room temperature. The crystal has two boundaries at Ti compositions of 29.0 mol% and 34.7 mol% which correspond to the phase boundaries between the monoclinic B (MB) and C (MC) phases and between the MC and tetragonal (T) phases, respectively. It is shown that there is a strong negative correlation between the electrical response and the crystal coherence length at the sub-m scale. The results are explained by the size effects of domains near the MPB.

Spontaneous formation of suboxidic coordination around Co in ferromagnetic rutile TiCoO film

Hu, W.*; Hayashi, Koichi*; Fukumura, Tomoteru*; Akagi, Kazuto*; Tsukada, Masaru*; Happo, Naohisa*; Hosokawa, Shinya*; Owada, Kenji; Takahashi, Masamitsu; Suzuki, Motohiro*; et al.

Applied Physics Letters, 106(22), p.222403_1 - 222403_5, 2015/06

https://doi.org/10.1063/1.4921847

Research on engineering technology in the full-scale demonstration of EBS and operation technology for HLW disposal; Research report in 2013 (Joint research)

Fujita, Tomoo; Tanai, Kenji; Nakayama, Masashi; Sawada, Sumiyuki*; Asano, Hidekazu*; Saito, Masahiko*; Yoshino, Osamu*; Kobayashi, Masato*

JAEA-Research 2014-031, 44 Pages, 2015/03

JAEA-Research-2014-031.pdf:16.11MB

Japan Atomic Energy Agency (JAEA) and Radioactive Waste Management Funding and Research Center (RWMC) concluded the letter of cooperation agreement on the research and development of radioactive waste disposal in April, 2005, and have been carrying out the collaboration work based on the agreement. JAEA have been carrying out the Horonobe Underground Research Laboratory (URL) Project which is intended for a sedimentary rock in the Horonobe town, Hokkaido, since 2001. In the project, geoscientific research and research and development on geological disposal technology are being promoted. Meanwhile, the government (the Agency for Natural Resources and Energy, Ministry of Economy, Trade and Industry) has been promoting construction of equipments for the full-scale demonstration of engineered barrier system (EBS) and operation technology for high-level radioactive waste (HLW) disposal since 2008, to enhance public's understanding to the geological disposal of HLW, e.g. using underground facility. RWMC received an order of the project in fiscal year 2012 (2011/2012) continuing since fiscal year 2008 (2008/2009). Since topics in this project are included in the Horonobe URL Project, JAEA carried out this project as collaboration work continuing since fiscal year 2008. This report summarizes the results of engineering technology carried out in this collaboration work in fiscal year 2013. In fiscal year 2013, emplacement tests using buffer material block for the vertical emplacement concept were carried out and visualization tests for water penetration in buffer material were carried out.

Heterophase fluctuations near in the relaxor ferroelectrics (1-x)Pb(ZnNb)O-xPbTiO ( = 0.09) studied by X-ray diffuse scattering and coherent X-ray scattering

Owada, Kenji; Mizuki, Junichiro*; Matsushita, Mitsuyoshi*; Namikawa, Kazumichi*

Physical Review B, 90(10), p.104109_1 - 104109_12, 2014/09

https://doi.org/10.1103/PhysRevB.90.104109

The paraelectric (PE) to ferroelectric (FE) first-order phase transition of 0.91Pb(ZnNb)O-0.09PbTiO ( = 455 K on cooling) has been studied by the complementary use of X-ray diffuse scattering (XDS) and coherent X-ray scattering (CXS). XDS was mainly used to investigate the FE regions, while CXS was mainly used to investigate the PE regions above on cooling. The diffuse scattering intensity due to the appearance of FE regions shows a maximum at K. The diffuse scattering is dynamic in nature and the softening trend changes to a hardening trend at . This means that the FE instability is maximum at and therefore the FE regions are well stabilized below . The spatial autocorrelation function obtained by CXS, corresponding to the texture of PE regions, starts to rapidly change at about and is most unstable at . We conclude that a heterophase fluctuation occurs between and near the phase transition. The heterophase fluctuation can be expected to correlate to the low-frequency dielectric dispersion and contribute to the phase transition as a precursor phenomenon of the first-order phase transition.

Development of instrument to measure transmission power density distribution using dielectric disk in millimeter waveguide

Yokokura, Kenji; Moriyama, Shinichi; Kobayashi, Takayuki; Hiranai, Shinichi; Sawahata, Masayuki; Terakado, Masayuki; Hinata, Jun; Wada, Kenji; Sato, Yoshikatsu; Hoshino, Katsumichi; et al.

JAEA-Technology 2014-002, 64 Pages, 2014/03

JAEA-Technology-2014-002.pdf:6.83MB

A new instrument has been developed to measure spatial distribution of power density and total power of the millimeter wave, by measuring temperature rise of dielectric material inserted in the waveguide. For a measurement, a dielectric disk with thermally insulated support is inserted into the few millimeters gap in the waveguide. The disk is heated by the millimeter wave pulse for 0.10.2 s, and immediately after the pulse, it is pulled up and its temperature distribution is measured by an infrared camera to estimate the spatial power density distribution of the millimeter wave. In the other hand, total transmission power is estimated by the disk temperature reached equilibrium. In the measurement test, deformation of the power density distribution was successfully detected when the mirror angle was intentionally changed in the matching optics unit (MOU) at the waveguide input from the gyrotron. The test result shows that the instrument is effective for both adjustment of MOU without opening the vacuum boundary and to detect any abnormal transmission during operation of the ECH system. The test also shows high reliability of the instrument which stands with 1 MW high power transmission without any arcing or pressure rise in vacuum region. The instrument will be contributed to keep good condition of high power long pulse ECH system by detecting abnormal transmission in the waveguide in operation without open vacuum boundary.

Verification and validation procedures of calculation codes for determining corrosive conditions in the BWR primary cooling system based on water radiolysis and mixed potential models

Uchida, Shunsuke*; Wada, Yoichi*; Yamamoto, Seiji*; Takagi, Junichi*; Hisamune, Kenji*

Journal of Nuclear Science and Technology, 51(1), p.24 - 36, 2014/01

https://doi.org/10.1080/00223131.2013.842945

ECP in the BWR primary cooling system can be measured only in the restricted region. In order to determine ECP at any location, ECP should be evaluated by computer simulation codes consisting of water radiolysis models to determine the concentrations of corrosive radiolytic species and mixed potential models to determine ECP based on corrosive species. Mitigation of SCC crack growth rate due to decreasing ECP can be authorized by the JSME Standards, while mitigation of ECP due to hydrogen addition has not been authorized yet. In the paper, standard procedures to authorize the computer simulation codes based on the verification and validation method are proposed. The numerical justification of every code applied as a standard code should be verified and its accuracy and applicability for plant analysis should be validated. Benchmark problems for verification processes are proposed and comparison of the calculated results with the measured ones for the plant of evaluation is required.

Development of a linear motion antenna for the JT-60SA ECRF system

Moriyama, Shinichi; Kobayashi, Takayuki; Isayama, Akihiko; Hoshino, Katsumichi; Suzuki, Sadaaki; Hiranai, Shinichi; Yokokura, Kenji; Sawahata, Masayuki; Terakado, Masayuki; Hinata, Jun; et al.

Fusion Engineering and Design, 88(6-8), p.935 - 939, 2013/10

https://doi.org/10.1016/j.fusengdes.2013.02.019

An antenna having a first mirror driven in the linear motion (LM) and a fixed second mirror was proposed for electron cyclotron range of frequency (ECRF) heating and current drive system, to minimize the risk of cooling-water-leakage. Basic mechanical feasibilities of the bellows covering the movable structures of the antenna were previously investigated using a mock-up. This time, a support structure of the shaft has been designed using a metallic sliding bearing with solid lubricant. The sliding bearing can support combination of linear and rotational motions while a ball bearing supports either linear or rotational motion. We have newly installed the sliding bearing into the mock-up. A vacuum pumping test has been carried out paying attention to the influence of the solid lubricant by mass analysis. To design the LM antenna for JT-60SA in detail, heating and current drive characteristics for typical experimental scenarios of JT-60SA has been investigated by calculation.