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Journal Articles

Hydrogen production using thermochemical water-splitting iodine-sulfur process test facility made of industrial structural materials; Engineering solutions to prevent iodine precipitation

Noguchi, Hiroki; Kamiji, Yu; Tanaka, Nobuyuki; Takegami, Hiroaki; Iwatsuki, Jin; Kasahara, Seiji; Myagmarjav, O.; Imai, Yoshiyuki; Kubo, Shinji

International Journal of Hydrogen Energy, 46(43), p.22328 - 22343, 2021/06

An iodine-sulfur process offers the potential for mass producing hydrogen with high-efficiency, and it uses high-temperature heat sources, including HTGR, solar heat, and waste heat of industries. R&D tasks are essential to confirm the integrity of the components that are made of industrial materials and the stability of hydrogen production in harsh working conditions. A test facility for producing hydrogen was constructed from corrosion-resistant components made of industrial materials. For stable hydrogen production, technical issues for instrumental improvements (i.e., stable pumping of the HIx solution, improving the quality control of glass-lined steel, prevention of I$$_{2}$$ precipitation using a water removal technique in a Bunsen reactor) were solved. The entire process was successfully operated for 150 h at the rate of 30 L/h. The integrity of components and the operational stability of the hydrogen production facility in harsh working conditions were demonstrated.

Journal Articles

Precipitation of minerals on rock kept in water with different calcium ion concentrations

Nara, Yoshitaka*; Kuwatani, Ryuta*; Kono, Masanori*; Sato, Toshinori; Kashiwaya, Koki*

Zairyo, 67(7), p.730 - 737, 2018/07

Information of confining ability of rock is important for the geological disposal of radioactive wastes. To maintain or improve the confining ability of rocks, it is important to seal pores and cracks. In this study, we investigated the precipitation of minerals on the rock surface. As rock samples, we used Berea sandstone and Toki granite in this study. It was shown that precipitation occurred on the surface of rock specimens kept in calcium hydroxide solution for 1 month if the concentration was high. Specifically, if the concentration of calcium hydroxide solution was higher than 300 mg/l, the precipitation occurred obviously. After keeping rock specimens in calcium hydroxide solution, the weight of the rock samples increased and the concentration of calcium ion decreased by the precipitation. It is considered that the calcium ion in water was used for the precipitation on rock surfaces. Since the precipitation has been recognized for rock surfaces, it is possible to seal pores and cracks in rocks. Therefore, it is also possible to keep or decrease the permeability of rocks by the precipitation of calcium compounds.

Journal Articles

Study on In-Vessel Retention (IVR) of unprotected accident for fast reactor, 1; Overview of IVR evaluation in Anticipated Transient without Scram (ATWS)

Suzuki, Toru; Sogabe, Joji; Tobita, Yoshiharu; Sakai, Takaaki*; Nakai, Ryodai

Nihon Kikai Gakkai Rombunshu (Internet), 83(848), p.16-00395_1 - 16-00395_9, 2017/04

no abstracts in English

JAEA Reports

Stabilization of MOX dissolving solution at STACY

Kobayashi, Fuyumi; Sumiya, Masato; Kida, Takashi; Kokusen, Junya; Uchida, Shoji; Kaminaga, Jota; Oki, Keiichi; Fukaya, Hiroyuki; Sono, Hiroki

JAEA-Technology 2016-025, 42 Pages, 2016/11

JAEA-Technology-2016-025.pdf:17.88MB

A preliminary test on MOX fuel dissolution for the STACY critical experiments had been conducted in 2000 through 2003 at Nuclear Science Research Institute of JAEA. Accordingly, the uranyl / plutonium nitrate solution should be reconverted into oxide powder to store the fuel for a long period. For this storage, the moisture content in the oxide powder should be controlled from the viewpoint of criticality safety. The stabilization of uranium / plutonium solution was carried out under a precipitation process using ammonia or oxalic acid solution, and a calcination process using a sintering furnace. As a result of the stabilization operation, recovery rate was 95.6% for uranium and 95.0% for plutonium. Further, the recovered oxide powder was calcined again in nitrogen atmosphere and sealed immediately with a plastic bag to keep its moisture content low and to prevent from reabsorbing atmospheric moisture.

Journal Articles

Formulation of nuclear safety under various induced events, 2; Bases and implementation of countermeasures against external events

Itoi, Tatsuya*; Nakamura, Hideo; Nakanishi, Nobuhiro*

Nihon Genshiryoku Gakkai-Shi ATOMO$$Sigma$$, 58(5), p.318 - 323, 2016/05

no abstracts in English

Journal Articles

Role of van der Waals corrections in first principles simulations of alkali metal ions in aqueous solutions

Ikeda, Takashi; Boero, M.*

Journal of Chemical Physics, 143(19), p.194510_1 - 194510_7, 2015/11

 Times Cited Count:22 Percentile:76.17(Chemistry, Physical)

By resorting to a novel implementation of the first-principles-based van der Waals correction based on maximally localized Wannier functions, we inspect its performance and assess its reliability for aqueous solutions of alkali metal ions. We find that van der Waals interactions, when added to the widely used revPBE gradient corrected functional, influence substantially both structural and dynamical properties of water molecules, with particular emphasis on the hydration shell of the alkali cations. These effects are more evident for strong structure-making and -breaking cationic species. Moreover, self-diffusion coefficients and reorientation correlation times of solvating water molecules change systematically, showing a trend in better agreement with experiments with respect to simulations neglecting the long-range dispersion contributions.

Journal Articles

Mechanisms of oxygen reduction reactions for carbon alloy catalysts via first principles molecular dynamics

Ikeda, Takashi; Hou, Z.*; Chai, G.-L.*; Terakura, Kiyoyuki*

Hyomen Kagaku, 36(7), p.345 - 350, 2015/07

Carbon alloy catalysts (CACs) are one of promising candidates for platinum-substitute cathode catalysts for polymer electrolyte fuel cells. We have investigated possible mechanisms of oxygen reduction reactions (ORRs) for CACs via first-principles-based molecular dynamics simulations. In this contribution, we review possible ORRs at likely catalytic sites of CACs suggested from our simulations.

Journal Articles

Possible oxygen reduction reactions for graphene edges from first principles

Ikeda, Takashi; Hou, Z.*; Chai, G.-L.*; Terakura, Kiyoyuki*

Journal of Physical Chemistry C, 118(31), p.17616 - 17625, 2014/08

 Times Cited Count:41 Percentile:81.59(Chemistry, Physical)

N-doped carbon-based nanomaterials are attracting a great interest as promising Pt-free electrode catalysts for polymer electrolyte fuel cells (PEFCs). In this computational study, we demonstrate that N-doped graphene edges can exhibit enhanced catalytic activity toward oxygen reduction reactions by controlling their electron-donating and -withdrawing abilities, and basicity, resulting in higher selectivity of 4e$$^{-}$$ reduction via inner and outer sphere electron transfer at edges in acidic conditions, respectively. Our simulations also show that 2e$$^{-}$$ reduction occurs selectively in the presence of pyridinic N next to carbonyl O at zigzag edges. This study thus rationalizes the roles of doped N in graphenelike materials for oxygen reduction reactions.

Journal Articles

Infrared absorption and Raman scattering spectra of water under pressure via first principles molecular dynamics

Ikeda, Takashi

Journal of Chemical Physics, 141(4), p.044501_1 - 044501_8, 2014/07

 Times Cited Count:11 Percentile:46.8(Chemistry, Physical)

From both the polarized and depolarized Raman scattering spectra of supercritical water a peak located at around 1600 cm$$^{-1}$$, attributed normally to bending mode of water molecules, was experimentally observed to vanish, whereas the corresponding peak remains clearly visible in the measured infrared (IR) absorption spectrum. In this computational study a theoretical formulation for analyzing the IR and Raman spectra is developed via first principles molecular dynamics combined with the modern polarization theory. We demonstrate that the experimentally observed peculiar behavior of the IR and Raman spectra for water are well reproduced in our computational scheme. We discuss the origins of a feature observed at 1600 cm$$^{-1}$$ in Raman spectra of ambient water.

Journal Articles

NMR chemical shifts of $$^{15}$$N-bearing graphene

Wang, X.*; Hou, Z.*; Ikeda, Takashi; Terakura, Kiyoyuki*

Journal of Physical Chemistry C, 118(25), p.13929 - 13935, 2014/06

 Times Cited Count:8 Percentile:32.69(Chemistry, Physical)

The NMR chemical shifts of possible N-containing moieties at edges and defects of graphene are investigated by using the first-principles method. Our computations show that pyridine-like and graphite-like N are rather easily identifiable using $$^{15}$$N NMR technique, in agreement with experiment. On the other hand, pyridinium-like N is hardly distinguished from pyrrole-like one because these $$^{15}$$N nuclei give nearly overlapping signals. However, our simulations suggest that $$^{1}$$H NMR is useful to discriminate between them; The NMR chemical shift of $$^{1}$$H directly bonded with pyridinium-like and pyrrole-like N is estimated as 0.8 and 10.8 ppm, respectively. The $$^{15}$$N NMR signals for various moieties at edges we considered are found to be similar to the corresponding ones at defects except for pyridine-like nitrogens. Conversely, the $$^{15}$$N NMR chemical shifts are altered sensitively by the degree of aggregation of pyridine-like $$^{15}$$N atoms both along armchair edges and at defect sites.

Journal Articles

Structure of GaAs(001)-c(4$$times$$4); Comparison of X-ray diffraction and first-principles calculation

Takahashi, Masamitsu; Kratzer, P.*; Penev, E.*; Mizuki, Junichiro

Surface Science, 600(18), p.4099 - 4102, 2006/09

 Times Cited Count:1 Percentile:7.01(Chemistry, Physical)

The GaAs(001)-c(4$$times$$4) has been studied by synchrotron surface X-ray diffraction. The atomic coordinates and Debye-Waller factors were determined up to the sixth layer from the surface. The results support the formation of the Ga-As heterodimers. The resultant atomic coordinates were compared with those given by a first-principle calculation. In spite of the theoretical prediction of the stability of the single-heterodimer structure, our data fit best a three-heterodimer model where three heterodimers are present in one unit cell. The preference of the formation of the three heterodimers will be discussed in the relationship with the transition process from the 2$$times$$4 to the c(4$$times$$4) structures.

Journal Articles

Extraction separation of Am(III) and Eu(III) with TPEN isomers and decanoic acid

Matsumura, Tatsuro; Takeshita, Kenji*

ACS Symposium Series, 933, p.261 - 273, 2006/07

Three TPEN isomers with different positon of nitrogen donor in pyridyl groups, t2pen, t3pen and t4pen, were synthesized and the extraction separation of Am(III) and Eu(III) with these ligands and a fatty acid, decanoic acid, was investigated. All isomers were similar in the complexation in the aqueous phase, such as the protonation and the formation of metal complex, however, they showed different extraction behavior of Am and Eu. The synergistic extraction effect for Am was observed for t2pen and the high separation factor about 100 was measured, when 1:2. The value is comparable to that for the extraction system with a famous nitrogen-donor extractant, BTP. On the other hand, the extractability of other isomers was very low and no separation of Am and Eu was observed. Only t2pen, in which nitrogen donor in pyridyl groups is positioned in the vicinity of the skeletal structure (N-C-C-N structure) of ligand, is available for the extraction separation of Am.

Journal Articles

Development of a simple reprocessing process using selective precipitant for uranyl ions; Precipitation behaviors of plutonium and other transuranium elements

Morita, Yasuji; Kawata, Yoshihisa*; Mineo, Hideaki; Koshino, Nobuyoshi*; Asanuma, Noriko*; Ikeda, Yasuhisa*; Yamasaki, Kazuhiko*; Chikazawa, Takahiro*; Tamaki, Yoshihisa*; Kikuchi, Toshiaki*

Proceedings of International Conference on Nuclear Energy System for Future Generation and Global Sustainability (GLOBAL 2005) (CD-ROM), 6 Pages, 2005/10

N-cyclohexyl-2-pyrrolidone (NCP) can selectively precipitate U(VI) ions in aqueous nitric acid solutions. Utilizing this property, we have been developing a simple reprocessing process of spent nuclear fuel based only on precipitation method. In the first precipitation step, only U is separated by precipitation in a yield of about 70%, and in the second precipitation step both U and Pu are recovered and separated from fission products (FP) and other transuranium elements (TRU). In JAERI, precipitation behaviors of Pu and other TRU were examined experimentally, and the results showed the feasibility of the process establishement.

Journal Articles

Development of a simple reprocessing process using selective precipitant for uranyl ions; Engineering studies for precipitating and separating systems

Yamasaki, Kazuhiko*; Chikazawa, Takahiro*; Tamaki, Yoshihisa*; Kikuchi, Toshiaki*; Morita, Yasuji; Kawata, Yoshihisa*; Mineo, Hideaki; Koshino, Nobuyoshi*; Asanuma, Noriko*; Harada, Masayuki*; et al.

Proceedings of International Conference on Nuclear Energy System for Future Generation and Global Sustainability (GLOBAL 2005) (CD-ROM), 4 Pages, 2005/10

N-cyclohexyl-2-pyrrolidone (NCP), can selectively precipitate U(VI) ions in aqueous nitric acid solutions. Utilizing this property, we have been developing a simple reprocessing process of spent nuclear fuel based only on precipitation method. In the first precipitation step, only U is separated by precipitation in a yield of about 70%, and in the second precipitation step both U and Pu are recovered and separated from fission products (FP) and other transuranium elements (TRU). In the present study, a precipitator and a precipitate separator were designed and built up, and were tested with aspets of operationability and system performance.

JAEA Reports

Research and development on partitioning in JAERI; Review of the research activities until the development of 4-group partitioning process

Morita, Yasuji; Kubota, Masumitsu*

JAERI-Review 2005-041, 35 Pages, 2005/09

JAERI-Review-2005-041.pdf:2.24MB

Research and development on Partitioning in JAERI are reviewed in the present report from the beginning to the development of the 4-Group Partitioning Process and its test with real high-level liquid waste (HLLW). In the 3-Group Partitioning Process established in around 1980, elements in HLLW are separated into 3 groups of transuranium element group, Sr-Cs group and the other element group. The 4-Group Partitioning Process subsequently developed contains the separation of Tc-platinum group metals additionally. The process was tested to demonstrate its performance with real concentrated HLLW. Until then, various separation methods for various elements were studied and selection and optimization of the separation methods were carried out to establish the process. Review of the experience, findings and results is very important and valuable for future study on partitioning. The present report is prepared from this point of view.

Journal Articles

Improvement of Worldwide version of System for Prediction of Environmental Emergency Dose Information (WSPEEDI), 2; Evaluation of numerical models by $$^{137}$$Cs deposition due to the Chernobyl nuclear accident

Terada, Hiroaki; Chino, Masamichi

Journal of Nuclear Science and Technology, 42(7), p.651 - 660, 2005/07

 Times Cited Count:14 Percentile:70.37(Nuclear Science & Technology)

The prediction performance of WSPEEDI (Worldwide version of System for Prediction of Environmental Emergency Dose Information), which consists of the atmospheric dynamic model MM5 and the Lagrangian particle dispersion model GEARN-new, is evaluated by measurements of precipitation and surface deposition of $$^{137}$$Cs over Europe during the Chernobyl accident. It is concluded that MM5/GEARN-new can predict $$^{137}$$Cs deposition distribution with good accuracy when accurate precipitation is predicted by using a explicit scheme on cloud microphysics with ice phase processes. High-resolutional calculation is also conducted for the area surrounding Chernobyl by a nesting method. MM5/GEARN-new can predict quite a realistic distribution of $$^{137}$$Cs deposition around Chernobyl which was not calculated by the previous version.

Journal Articles

Formation of Cu precipitates by ion implantation and thermal annealing for the growth of oxide nanorods

Takeyama, Akinori; Yamamoto, Shunya; Ito, Hiroshi; Yoshikawa, Masahito

Nuclear Instruments and Methods in Physics Research B, 232(1-4), p.333 - 337, 2005/05

 Times Cited Count:0 Percentile:0.01(Instruments & Instrumentation)

Cu precipitates were formed on Si(100) by 200 keV Cu ion implantation and subsequent annealing at 773 K. The shape of the Cu precipitates evolved from a large rectangle to a small elongated pyramid with increasing annealing time. This shape evolution seemed to result from the epitaxial formation of Cu precipitates to minimize the interfacial energy between the precipitate and the Cu implanted substrate. The average density of Cu precipitates monotonously increased and the average diameter of Cu precipitates decreased with increasing annealing time up to 1 h. These indicate that the morphology, size and average density of Cu precipitates can be controlled by varying annealing time, and that Cu ion implantation and subsequent annealing were effective in producing a substrate dispersed with catalytic particles for oxide nanorods growth.

Journal Articles

Development of cold isostatic pressing graphite module for a heat-resistant lower hybrid current drive antenna

Maebara, Sunao; Goniche, M.*; Kazarian, F.*; Seki, Masami; Ikeda, Yoshitaka; Imai, Tsuyoshi*; Beaumont, B.*

Review of Scientific Instruments, 76(5), p.053501_1 - 053501_7, 2005/05

 Times Cited Count:1 Percentile:10.49(Instruments & Instrumentation)

Development of a plasma facing module using Cold Isostatic Pressing Graphite (CIPG) had been done for a heat-resistant LHCD antenna. A thin stainless film (10$$mu$$m), molybdenum film (10$$mu$$m) and copper film (50$$mu$$m) are laid to overlap each other on the CIPG materials, the CIPG surfaces were successfully coated with copper layer by diffusion bonding method. This module has four waveguides and a water cooling channel, the length is 206 mm. High power long pulse operation was successfully achieved up to 250 kW (125 MW/m$$^{2}$$)/700s. The module has been successfully tested at a RF power density which is equivalent, in terms of RF electric field (5kV/cm), to the one proposed for the LHCD antenna of ITER-FEAT. The outgassing rate of the copper-coated CIPG is estimated to be 3.2-5.1$$times$$10$$^{-6}$$ Pa.m$$^{3}$$/s.m$$^{2}$$ at 100$$^{circ}$$C, it is assessed that a pumping system is not required to evacuate the pressure in the LHCD antenna.

Journal Articles

Irradiation effects on precipitation in reduced-activation ferritic/martensitic steels

Tanigawa, Hiroyasu; Sakasegawa, Hideo*; Klueh, R. L.*

Materials Transactions, 46(3), p.469 - 474, 2005/03

 Times Cited Count:16 Percentile:71.57(Materials Science, Multidisciplinary)

The effects of irradiation on precipitation of reduced-activation ferritic/martensitic steels (RAFs) were investigated, and its impacts on the Charpy impact properties and tensile properties were discussed. It was previously reported that RAFs (F82H-IEA and its heat treatment variant, ORNL9Cr-2WVTa, JLF-1 and 2%Ni doped F82H) shows variety of changes on its ductile-brittle transition temperature (DBTT) and yield stress after irradiation at 573K up to 5dpa. These differences could not be interpreted as an effect of irradiation hardening caused by dislocation loop formation. The precipitation behavior of the irradiated steels was examined by weight analysis, X-ray diffraction analysis and chemical analysis on extraction residues. These analyses suggested that irradiation caused (1) the increase of the amount of precipitates (mainly M$$_{23}$$C$$_{6}$$), (2) increase of Cr and decrease of W contained in precipitates, (3) disappearance of MX (TaC) in ORNL9Cr and JLF-1.

Journal Articles

Growth of ZnO nanorods on Cu implanted substrates

Takeyama, Akinori; Yamamoto, Shunya; Yoshikawa, Masahito; Ito, Hiroshi

Japanese Journal of Applied Physics, Part 1, 44(1B), p.750 - 753, 2005/01

 Times Cited Count:0 Percentile:0(Physics, Applied)

Pyramid shaped Cu precipitates were formed on Si (100) surface as a result of 200 keV Cu ion implantation and subsequent annealing. Then, ZnO nanorods were successfully synthesized on the Cu implanted substrates by chemical vapor transport (CVT). Hexagonal shaped nanorods with a diameter of 200 nm were grown nearly perpendicular to the Cu implanted substrate and their average density was increased as increasing that of Cu precipitates. The facts strongly indicate the Cu precipitates served as the catalytic particles for the growth of ZnO rods.

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