Changes in molecular conformation and electronic structure of DNA under C ions based on first-principles calculations

Sekikawa, Takuya; Matsuya, Yusuke; Hwang, B.*; Ishizaka, Masato*; Kawai, Hiroyuki*; Ono, Yoshiaki*; Sato, Tatsuhiko; Kai, Takeshi

Nuclear Instruments and Methods in Physics Research B, 548, p.165231_1 - 165231_6, 2024/03

https://doi.org/10.1016/j.nimb.2023.165231

One of the main causes of radiation effects on the human body is thought to be damage to DNA, which carries genetic information. However, it is not fully understood what kind of molecular structural changes DNA undergoes upon radiation damage. Since it has been reported that various types of DNA damage are formed when DNA is irradiated, our group has investigated the relationship between DNA damage and various patterns of radiation-induced ionization induced by radiation. Although we have so far analyzed DNA damage in a simple system using a rigid body model of DNA, more detailed calculations are required to analyze the molecular structural changes in DNA, which are considered to be important in considering the effects on the human body. In this study, we attempted to clarify the molecular conformational changes of DNA using OpenMX, a first-principles calculation software that can discuss electronic states based on molecular structures. Specifically, we calculated the most stable structure, band dispersion, and wave function of DNA under the assumption that one and two electrons are ionized by various radiation. In the presentation, we will discuss the relationship between the energy dependence of each incident radiation type and the molecular conformational change of DNA. In addition, the radiation-induced changes in the basic physical properties of DNA (corresponding to the initial stage of DNA damage) will be discussed from the viewpoints of both radiation physics and solid state physics.

Development of a numerical simulation method for air cooling of fuel debris by JUPITER

Yamashita, Susumu; Uesawa, Shinichiro; Ono, Ayako; Yoshida, Hiroyuki

Mechanical Engineering Journal (Internet), 10(4), p.22-00485_1 - 22-00485_25, 2023/08

https://doi.org/10.1299/mej.22-00485

A detailed evaluation for air cooling of fuel debris in actual reactors will be essential in fuel debris retrieval under dry conditions. To understand the heat transfer in and around fuel debris, which is assumed as a porous medium in the primary containment vessel (PCV) mechanistically, we newly applied the porous medium model to the multiphase and multicomponent computational fluid dynamics code named JUPITER (JAEA Utility Program for Interdisciplinary Thermal-hydraulics Engineering and Research). We applied the Darcy-Brinkman model as for the porous medium model. This model has high compatibility with JUPITER because it can treat both a pure fluid and a porous medium phase simultaneously in the same manner as the one-fluid model in multiphase flow simulation. We addressed the case of natural convection with a high-velocity flow standing out nonlinear effects by implementing the Forchheimer model, including the term of the square of the velocity as a nonlinear effect to the momentum transport equation of JUPITER. We performed some simple verification and validation simulations, such as the natural convection simulation in a square cavity and the natural convective heat transfer experiment with the porous medium, to confirm the validity of the implemented model. We confirmed that the result of JUPITER agreed well with these simulations and experiments. In addition, as an application of the updated JUPITER, we performed the preliminary simulation of air cooling of fuel debris in the condition of the Fukushima Daiichi Nuclear Power Station unit 2 including the actual core materials. As a result, JUPITER calculated the temperature and velocity field stably in and around the fuel debris inside the PCV. Therefore, JUPITER has the potential to estimate the detailed and accurate thermal-hydraulics behaviors of fuel debris.

A Numerical simulation method to evaluate heat transfer of fuel debris in air cooling by JUPITER, 1; Project overview and the applicability to the actual reactor system

Yamashita, Susumu; Uesawa, Shinichiro; Ono, Ayako; Yoshida, Hiroyuki

Proceedings of 12th Japan-Korea Symposium on Nuclear Thermal Hydraulics and Safety (NTHAS12) (Internet), 8 Pages, 2022/10

no abstracts in English

Design and actual performance of J-PARC 3 GeV rapid cycling synchrotron for high-intensity operation

Yamamoto, Kazami; Kinsho, Michikazu; Hayashi, Naoki; Saha, P. K.; Tamura, Fumihiko; Yamamoto, Masanobu; Tani, Norio; Takayanagi, Tomohiro; Kamiya, Junichiro; Shobuda, Yoshihiro; et al.

Journal of Nuclear Science and Technology, 59(9), p.1174 - 1205, 2022/09

https://doi.org/10.1080/00223131.2022.2038301

In the Japan Proton Accelerator Research Complex, the purpose of the 3 GeV rapid cycling synchrotron (RCS) is to accelerate a 1 MW, high-intensity proton beam. To achieve beam operation at a repetition rate of 25 Hz at high intensities, the RCS was elaborately designed. After starting the RCS operation, we carefully verified the validity of its design and made certain improvements to establish a reliable operation at higher power as possible. Consequently, we demonstrated beam operation at a high power, namely, 1 MW. We then summarized the design, actual performance, and improvements of the RCS to achieve a 1 MW beam.

Development of the simplified boiling model applied to the large-scale detailed simulation

Ono, Ayako; Yamashita, Susumu; Sakashita, Hiroto*; Suzuki, Takayuki*; Yoshida, Hiroyuki

Proceedings of 13th International Topical Meeting on Nuclear Reactor Thermal-Hydraulics, Operation and Safety (NUTHOS-13) (Internet), 12 Pages, 2022/09

Japan Atomic Energy Agency is developing the computational fluid dynamics code, JUPITER, based on the volume of fluid (VOF) method to analyze detailed thermal-hydraulics in a reactor. The detailed numerical simulation of boiling from a heating surface needs a substantial computational cost to resolve the microscale thermal-hydraulic phenomena such as the bubble generation from a cavity and evaporation of a micro-layer. This study developed the simplified boiling model from the heating surface to reduce the computational cost, which will apply to the detailed simulation code based on the surface tracking method such as JUPITER. We applied the simplified boiling model to JUPITER, and compared the simulation results with the experimental data of the vertical heating surface in the forced convection. We confirmed the degree of their reproducibility, and the issues to be modified were extracted.

Development of the simplified boiling model applied for the large scale simulation by the detailed two-phase flow analysis based on the surface tracking

Ono, Ayako; Yamashita, Susumu; Sakashita, Hiroto*; Suzuki, Takayuki*; Yoshida, Hiroyuki

Dai-26-Kai Doryoku, Enerugi Gijutsu Shimpojiumu Koen Rombunshu (Internet), 4 Pages, 2022/07

https://doi.org/10.1299/jsmepes.2022.26.B211

JAEA is implementing a simulation of a two-phase flow in the reactor core by TPFIT and JUPITER which are developed by JAEA based on the surface tracking method. However, it is impossible to simulate a boiling on the heating surface in the large-scale domain by this type of simulation method since the simulation of boiling based on the surface tracking method needs the fine mesh which sufficiently resolves the initiation of boiling. Therefore, JAEA started to develop the simplified boiling model applied for the two-phase flow in the fuel assemblies. In this study, the simulation results of the convection boiling on a vertical heating surface and the comparison between the simulation results and experimental results are shown.

Numerical simulation of two-phase flow in fuel assemblies with a spacer grid using a mechanistically based method

Ono, Ayako; Yamashita, Susumu; Suzuki, Takayuki*; Yoshida, Hiroyuki

Proceedings of 19th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-19) (Internet), 16 Pages, 2022/03

JAEA is developing the methodology to predict the critical heat flux based on a mechanism in order to reduce the cost for full mock-up test. The evaluation method based on a mechanism is expected to be able to predict in the wide range of parameter under the unexpected conditions including the severe accident. In this study, the JUPITER code developed by JAEA is examined to apply for the two-phase flow simulation of LWR fuel assembly with the spacer grid. The benchmark data of single-phase flow in the bundle with the spacers by KAERI were used to validate the simulation result by JUPITER. Moreover, the single-phase flow simulation was conducted by another simulation method, STAR-CCM+, as a supplemental analysis to consider the effect of the different simulation methods. Finally, the two-phase flow simulation for the bundle with the spacer was conducted by JUPITER. The effect of the spacer with a vane on the bubble behavior is discussed.

Analysis of the radioactivity concentrations in radioactive waste generated from JPDR Facility

Tobita, Minoru*; Haraga, Tomoko; Endo, Tsubasa*; Omori, Hiroyuki*; Mitsukai, Akina; Aono, Ryuji; Ueno, Takashi; Ishimori, Kenichiro; Kameo, Yutaka

JAEA-Data/Code 2021-013, 30 Pages, 2021/12

JAEA-Data-Code-2021-013.pdf:1.47MB

Radioactive wastes generated from nuclear research facilities in Japan Atomic Energy Agency are planning to be buried in the near surface disposal field. Therefore, it is required to establish the method to evaluate the radioactivity concentrations of radioactive wastes until the beginning of disposal. In order to contribute to this work, we collected and analyzed concrete samples generated from JPDR facility. In this report, we summarized the radioactivity concentrations of 21 radionuclides (H, C, Cl, Ca, Co, Ni, Sr, Nb, Ag, Cs, Eu, Eu, Ho, U, U, Pu, Pu, Pu, Am, Am, Cm) which were obtained from radiochemical analysis of the samples in fiscal year 2018-2019.

Impact assessment for internal flooding in HTTR (High temperature engineering test reactor)

Tochio, Daisuke; Nagasumi, Satoru; Inoi, Hiroyuki; Hamamoto, Shimpei; Ono, Masato; Kobayashi, Shoichi; Uesaka, Takahiro; Watanabe, Shuji; Saito, Kenji

JAEA-Technology 2021-014, 80 Pages, 2021/09

JAEA-Technology-2021-014.pdf:5.87MB

In response to the new regulatory standards established in response to the accident at TEPCO's Fukushima Daiichi Nuclear Power Station in March 2011, measures and impact assessments related to internal flooding at HTTR were carried out. In assessing the impact, considering the characteristics of the high-temperature gas-cooled reactor, flooding due to assumed damage to piping and equipment, flooding due to water discharge from the system installed to prevent the spread of fire, and flooding due to damage to piping and equipment due to an earthquake. The effects of submersion, flooding, and flooding due to steam were evaluated for each of them. The impact of the overflow of liquids containing radioactive materials outside the radiation-controlled area was also evaluated. As a result, it was confirmed that flooding generated at HTTR does not affect the safety function of the reactor facility by taking measures.

Interim activity status report of "the group for investigation of reasonable safety assurance based on graded approach" (from September, 2019 to September, 2020)

Yonomoto, Taisuke; Nakashima, Hiroshi*; Sono, Hiroki; Kishimoto, Katsumi; Izawa, Kazuhiko; Kinase, Masami; Osa, Akihiko; Ogawa, Kazuhiko; Horiguchi, Hironori; Inoi, Hiroyuki; et al.

JAEA-Review 2020-056, 51 Pages, 2021/03

JAEA-Review-2020-056.pdf:3.26MB

A group named as "The group for investigation of reasonable safety assurance based on graded approach", which consists of about 10 staffs from Sector of Nuclear Science Research, Safety and Nuclear Security Administration Department, departments for management of nuclear facility, Sector of Nuclear Safety Research and Emergency Preparedness, aims to realize effective graded approach (GA) about management of facilities and regulatory compliance of JAEA. The group started its activities in September, 2019 and has had discussions through 10 meetings and email communications. In the meetings, basic ideas of GA, status of compliance with new regulatory standards at each facility, new inspection system, etc were discussed, while individual investigation at each facility were shared among the members. This report is compiled with expectation that it will help promote rational and effective safety management based on GA by sharing contents of the activity widely inside and outside JAEA.