Novel approach to explore hydrogen trapping sites in aluminum; Integrating Muon spin relaxation with first-principles calculations

Shimizu, Kazuyuki*; Nishimura, Katsuhiko*; Matsuda, Kenji*; Nunomura, Norio*; Namiki, Takahiro*; Tsuchiya, Taiki*; Akamaru, Satoshi*; Lee, S.*; Tsuru, Tomohito; Higemoto, Wataru; et al.

International Journal of Hydrogen Energy, 95, p.292 - 299, 2024/12

https://doi.org/10.1016/j.ijhydene.2024.11.265

Zero-field muon spin relaxation experiments were conducted on Al-0.06%Mn, Al-0.06%Cr, Al-0.02%Fe, and Al-0.02%Ni alloys (at.%) across the temperature ranging from 5 to 300 K. The temperature-dependent variations of the dipole field widths () elucidated four distinct peaks for the prepared alloys. Atomic configurations of the muon trapping sites corresponding to the observed peaks below 200 K were meticulously characterized utilizing first-principles calculations for the trapping energies of hydrogen in proximity to a solute and solute-vacancy pair. This comprehensive analysis facilitated the establishment of a linear correlation between the muon peak temperature and the hydrogen trapping energy. However, significant deviations from this linear relationship were observed for the fourth peaks above 200 K in Al-Mn, Al-Cr, Al-Fe, and Al-Ni alloys. This discrepancy can be interpreted by considering the disparate distribution functions of muon and hydrogen within the tetrahedral site, wherein two of the four Al atoms are substituted by the solute element and vacancy (solute-vacancy pair).

Hydrogen diffusion in cerium oxide thin films fabricated by pulsed laser deposition

Mao, W.*; Fukutani, Katsuyuki; 8 of others*

International Journal of Hydrogen Energy, 50(Part D), p.969 - 978, 2024/01

https://doi.org/10.1016/j.ijhydene.2023.08.264

Numerical interpretation of thermal desorption spectra of hydrogen from high-carbon ferrite-austenite dual-phase steel

Ebihara, Kenichi; Sekine, Daiki*; Sakiyama, Yuji*; Takahashi, Jun*; Takai, Kenichi*; Omura, Tomohiko*

International Journal of Hydrogen Energy, 48(79), p.30949 - 30962, 2023/09

https://doi.org/10.1016/j.ijhydene.2023.04.205

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.

Introduction of loop operating system to improve the stability of continuous hydrogen production for the thermochemical water-splitting iodine-sulfur process

Tanaka, Nobuyuki; Takegami, Hiroaki; Noguchi, Hiroki; Kamiji, Yu; Myagmarjav, O.; Kubo, Shinji

International Journal of Hydrogen Energy, 46(55), p.27891 - 27904, 2021/08

https://doi.org/10.1016/j.ijhydene.2021.06.072

The thermochemical water-splitting iodine-sulfur (IS) process enables producing hydrogen. In a previous operation procedure, after the components of the unit operations were individually started, they were connected at the same time. However, it was challenging to stably interconnect the components. This study introduces a new loop operation, subdividing the process configuration into four sections before transferring the continuous operation. The proposed loop operation was validated analyzing the material and heat balances of each section. The calculated results showed that the material balances of respective loop sections were closed. The loop operation mode would transfer to the continuous operation by connect all sections. Regarding the switching of operation modes, the material and heat balance showed no or little difference, indicating that two operation modes could only be changed by switching the pipelines. Consequently, the loop sections could be individually operated to stabilize the IS process system, and the loop operation could be smoothly transferred to the continuous operation.

Performance tests of catalysts for the safe conversion of hydrogen inside the nuclear waste containers in Fukushima Daiichi

Reinecke, E.-A.*; Takenaka, Keisuke*; Ono, Hitomi*; Kita, Tomoaki*; Taniguchi, Masashi*; Nishihata, Yasuo; Hino, Ryutaro; Tanaka, Hirohisa*

International Journal of Hydrogen Energy, 46(23), p.12511 - 12521, 2021/03

https://doi.org/10.1016/j.ijhydene.2020.08.262

The safe decommissioning as well as decontamination of the radioactive waste resulting from the nuclear accident in Fukushima Daiichi represents a huge task for the next decade. At present, research and development on long-term safe storage containers has become an urgent task with international cooperation in Japan. One challenge is the generation of hydrogen and oxygen in significant amounts by means of radiolysis inside the containers, as the nuclear waste contains a large portion of sea water. The generation of radiolysis gases may lead to a significant pressure build-up inside the containers and to the formation of flammable gases with the risk of ignition and the loss of integrity. In the framework of the project "R&D on technology for reducing concentration of flammable gases generated in long-term waste storage containers" funded by the Japanese Ministry of Education, Culture, Sports, Science and Technology of Japan (MEXT), the potential application of catalytic recombiner devices inside the storage containers is investigated. In this context, a suitable catalyst based on the so-called intelligent automotive catalyst for use in a recombiner is under consideration. The catalyst is originally developed and mass-produced for automotive exhaust gas purification, and is characterized by having a self-healing function of precious metals (Pd, Pt and Rh) dissolved as a solid solution in the perovskite type oxides. The basic features of this catalyst have been tested in an experimental program. The test series in the REKO-4 facility has revealed the basic characteristics of the catalyst required for designing the recombiner system.

Overvoltage reduction in membrane Bunsen reaction for hydrogen production by using a radiation-grafted cation exchange membrane and porous Au anode

Sawada, Shinichi*; Kimura, Takehiro*; Nishijima, Haruyuki*; Kodaira, Takahide*; Tanaka, Nobuyuki; Kubo, Shinji; Imabayashi, Shinichiro*; Nomura, Mikihiro*; Yamaki, Tetsuya*

International Journal of Hydrogen Energy, 45(27), p.13814 - 13820, 2020/05

https://doi.org/10.1016/j.ijhydene.2020.02.229

An electrochemical membrane Bunsen reaction using a cation exchange membrane (CEM) is a key to achieving an iodine-sulfur (IS) thermochemical water splitting process for mass-production of hydrogen. In this study, we prepared both the radiation-grafted CEM with a high ion exchange capacity (IEC) and the highly-porous Au-electroplated anode, and then used them for the membrane Bunsen reaction to reduce the cell overvoltage. The high-IEC grafted CEM exhibited low resistivity for proton transport, while the porous Au anode had a large effective surface area for anodic SO oxidation reaction. As a result, the cell overvoltage for the membrane Bunsen reaction was significantly reduced to 0.21 V at 200 mA/cm, which was only one-third of that of the previous test using the commercial CEM and non-porous anode. From the analysis of the current-voltage characteristics, employment of the grafted CEM was found to be more effective for the overvoltage reduction compared to the porous Au anode.

Comparison of experimental and simulation results on catalytic HI decomposition in a silica-based ceramic membrane reactor

Myagmarjav, O.; Tanaka, Nobuyuki; Nomura, Mikihiro*; Kubo, Shinji

International Journal of Hydrogen Energy, 44(59), p.30832 - 30839, 2019/11

https://doi.org/10.1016/j.ijhydene.2019.09.132

R&D status of hydrogen production test using IS process test facility made of industrial structural material in JAEA

Noguchi, Hiroki; Takegami, Hiroaki; Kamiji, Yu; Tanaka, Nobuyuki; Iwatsuki, Jin; Kasahara, Seiji; Kubo, Shinji

International Journal of Hydrogen Energy, 44(25), p.12583 - 12592, 2019/05

https://doi.org/10.1016/j.ijhydene.2018.11.121

JAEA has been conducting R&D on thermochemical water-splitting hydrogen production IS process to develop one of heat applications of high-temperature gas-cooled reactor. A test facility was constructed using corrosion-resistant industrial materials to verify integrity of the IS process components and to demonstrate continuous and stable hydrogen production. The performance of components installed in each section was confirmed. Subsequently, a trial operation of integration of the processing sections was successfully carried out for 8 hours with hydrogen production rate of approximately 10 NL/h. After that, hydrogen production operation was extended to 31 hours (approximately hydrogen production rate of 20 NL/h) by introducing a corrosion-resistance pump system with a developed shaft seal technology.

Hydrogen production tests by hydrogen iodide decomposition membrane reactor equipped with silica-based ceramics membrane

Myagmarjav, O.; Tanaka, Nobuyuki; Nomura, Mikihiro*; Kubo, Shinji

International Journal of Hydrogen Energy, 42(49), p.29091 - 29100, 2017/12

https://doi.org/10.1016/j.ijhydene.2017.10.043

The catalytic decomposition of hydrogen iodide in a membrane reactor using silica membranes derived from hexyltrimethoxysilane (HTMOS) was investigated for the production of hydrogen in the thermochemical water splitting iodine-sulfur process. The silica membranes were prepared by counter-diffusion chemical vapor deposition using porous alumina support tubes in both the absence and presence of a -alumina layer. The silica membranes formed on -alumina-coated -alumina tubes displayed a higher H permeance than that formed directly on an -alumina tube. A silica membrane based on a 1.5 m-thick -alumina layer fabricated under deposition conditions of 450C, 1200 s, and a N carrier gas velocity of 0.044 m s exhibited a high H permeance of 9.4 10 mol Pa m s while maintaining an H/N selectivity of over 80.0. The performance of a membrane reactor based on an HTMOS-derived silica membrane was evaluated at 400C by measuring the HI conversion and H flow rates. The conversion was approximately 0.48 when the HI flow rate was 9.7 mL min.

X-ray absorption spectroscopy study on water formation reaction of palladium metal nanoparticle catalysts

Matsumura, Daiju; Taniguchi, Masashi*; Tanaka, Hirohisa*; Nishihata, Yasuo

International Journal of Hydrogen Energy, 42(11), p.7749 - 7754, 2017/03

https://doi.org/10.1016/j.ijhydene.2016.08.189