Scenario analysis of future nuclear energy use in Japan, 1; Methodology of nuclear fuel cycle simulator: NMB4.0

阿部 拓海; 大泉 昭人; 西原 健司; 中瀬 正彦*; 朝野 英一*; 竹下 健二*

Progress in Nuclear Science and Technology (Internet), 7, p.299 - 304, 2025/05

https://doi.org/10.15669/pnst.7.299

現在、脱炭素化および持続可能な社会の実現にむけて、二酸化炭素を排出しない安定したエネルギー源の研究が続けられている。原子力エネルギーもそのひとつであり、様々な新型炉や再処理技術の開発が進んでいる。これらを活用した核燃料サイクルを社会実装するうえでは、核燃料物質の物流や廃棄物発生量の規模といった諸量を、多様な視点から定量的に評価できる核燃料サイクルシミュレータが必要となる。そこで、東京工業大学と原子力機構の共同研究により、NMB4.0が開発された。これはフロントエンドからバックエンドまでにおけるアクチノイドおよびFPを含めた179核種の物質収支を計算し、核燃料サイクルを統合的にシミュレーションするコードである。他の核燃料サイクルシミュレータと異なり、様々な原子力シナリオにおける放射性廃棄物の数や最終処分場規模といったバックエンド解析を精密に行えるほか、Microsoft Excel上で動作するオープンソースのコードであることが特徴である。そのため、様々なステークホルダーを交えた原子力利用戦略の定量的な検討が可能である。本発表ではNMB4.0内にて用いられる方法論の紹介を行う。

試験研究用原子炉から発生する解体廃棄物に対するSCALE6.2.4付属のORIGENを用いた放射能評価手法の検討

富岡 大; 河内山 真美; 小曽根 健嗣; 仲田 久和; 坂井 章浩

JAEA-Technology 2024-023, 38 Pages, 2025/03

JAEA-Technology-2024-023.pdf:1.54MB

日本原子力研究開発機構は、我が国の研究施設等から発生する低レベル放射性廃棄物の浅地中埋設事業の実施主体である。これらの放射性廃棄物の放射能濃度に関する情報は、埋設事業の許可申請及びその適合性審査に向けた廃棄物埋設施設の設計や安全評価に不可欠である。このため、埋設事業センターでは、埋設対象廃棄物のうち試験研究用原子炉から発生する解体廃棄物について、放射化計算に基づく解体廃棄物の放射能評価手順の改良を進めている。今回、多群中性子スペクトルを用いてより精度の高い放射化計算が可能なORIGENコード(SCALE6.2.4に付属)の適用性を検討するため、これまで使用実績が多いORIGEN-Sコード(SCALE6.0に付属)との比較検証を行った。この検証では、炉心周辺の原子炉構造材の放射能分析データを取りまとめている立教大学研究炉の解体廃棄物を対象として両コードにより放射化計算を行った。その結果、ORIGENコードとORIGEN-Sコードの計算時間の差異はほとんどないこと、放射能濃度の評価値として前者は後者の0.81.0倍の範囲となり、放射化学分析による放射能濃度と概ね0.53.0倍の範囲でよく一致した結果から、ORIGENコードの適用性を確認した。さらに、原子炉構造材に含まれる微量元素の放射化を想定してORIGENコード及びORIGEN-Sコードによる放射化計算を行い、比較を行った。また、浅地中処分における被ばく線量評価上重要な170核種のうち大きな差が見られたものに対してその原因を核種毎に調べた。

Development of a theoretical scaling factor method for the inventory estimation of difficult-to-measure nuclide Cs-135 in fuel debris and radioactive wastes

坂本 雅洋; 奥村 啓介; 神野 郁夫; 松村 太伊知; 寺島 顕一; Riyana E. S.; 金子 純一*; 溝上 暢人*; 溝上 伸也*

Journal of Nuclear Science and Technology, 10 Pages, 2025/00

https://doi.org/10.1080/00223131.2025.2478926

In this paper, we propose a new nuclide inventory estimation method based on computational methods, called a "theoretical scaling factor method" for difficult-to-measure (DTM) nuclides in fuel debris and radioactive wastes. The theoretical scaling factor method provides a method similar to a conventional scaling factor method. The theoretical scaling factor method, however, does not require performing many measurements to obtain correlations between a key nuclide which is easy-to-measure and a DTM nuclide. Instead of actual analytical measurements, the results of theoretical calculations are used. A correlation equation between the key nuclide and the DTM nuclide is created based on the results of theoretical calculations, and the DTM nuclide is deterministically estimated using the measurement value of the key nuclide only. In this paper, we selected Cs-135 as the DTM nuclide and Cs-137 as the key nuclide. Cs-135 has a long half-life of 2.310 years and is one of the important fission products in the safety evaluation for the geological disposal of high-level radioactive waste, because it dissolves and migrates in groundwater easily. We confirmed the validity of the proposed method using measured data of Cs-137 and Cs-135 on radioactive wastes from the Fukushima Daiichi Nuclear Power Station (1F) accident obtained by many researchers. It can be used as a rational and efficient technology to reduce the analysis costs of various types of fuel debris and radioactive waste present at 1F.

Quantifying uncertainty induced by scattering angle distribution using maximum entropy method

丸山 修平; 山本 章夫*; 遠藤 知弘*

Annals of Nuclear Energy, 205, p.110591_1 - 110591_13, 2024/09

https://doi.org/10.1016/j.anucene.2024.110591

This study developed a new method for evaluating the uncertainty in reactor core/shielding characteristics attributable to the scattering angle distribution, employing a random sampling (RS) technique integrated with continuous energy Monte Carlo (CEMC) calculations. The impact of neutron scattering angle is not negligible in the analysis of fast reactor cores and shielding. Recent advancements have enabled the high-accuracy assessment of nuclear data-induced uncertainty by merging CEMC calculations and the RS technique. Nonetheless, a method to quantify uncertainty due to scattering angle distribution remains unestablished. This study introduces a new approach for uncertainty quantification related to scattering angle distribution in CEMC-RS, utilizing the maximum entropy method. The effectiveness of this method was verified through comparison with results from the classical deterministic uncertainty quantification approach based on generalized perturbation theory. Overall, this method offers a more accurate tool for nuclear engineers and researchers in evaluating and managing uncertainties in reactor design and safety analysis.

Preliminary study of the criticality monitoring method based on the simulation for the activity ratio of short half-life noble-gas fission products from fuel debris

Riyana, E. S.; 奥村 啓介; 坂本 雅洋; 松村 太伊知; 寺島 顕一; 神野 郁夫

Journal of Nuclear Science and Technology, 61(2), p.269 - 276, 2024/02

https://doi.org/10.1080/00223131.2023.2300773

We investigated the possibility of estimating the effective neutron multiplication factor () of the fuel debris inside the canister and primary containment vessel (PCV) of Unit 2 of the Fukushima Daiichi Nuclear Power Station (1F) using remote gas-radioactivity measurement via simulation-based calculations. Our results demonstrate an almost linear correlation between and the Kr-to-Xe activity ratio with respect to various fuel debris compositions. This correlation is maintained regardless of geometries such as the fuel debris canister and the PCV.

Understanding muon diffusion in perovskite oxides below room temperature based on harmonic transition state theory

伊藤 孝; 髭本 亘; 下村 浩一郎*

Physical Review B, 108(22), p.224301_1 - 224301_11, 2023/12

https://doi.org/10.1103/PhysRevB.108.224301

In positive muon spin rotation and relaxation (SR) spectroscopy, positive muons () implanted into solid oxides are conventionally treated as immobile spin-probes at interstitial sites below room temperature. This is because each is thought to be tightly bound to an oxygen atom in the host lattice to form a muonic analogue of the hydroxy group. On the basis of this concept, anomalies in SR spectra observed in oxides have been attributed in most cases to the intrinsic properties of host materials. On the other hand, global diffusion with an activation energy of 0.1~eV has been reported in some chemically-substituted perovskite oxides at cryogenic temperatures, although the reason for the small activation energy despite the formation of the strong O bond has not yet been quantitatively understood. In this study, we investigated interstitial diffusion in the perovskite oxide lattice using KTaO cubic perovskite as a model system. We used the SR method and density functional theory calculations along with the harmonic transition state theory to study this phenomenon both experimentally and theoretically. Experimental activation energies for global diffusion obtained below room temperature were less than a quarter of the calculated classical potential barrier height for a bottleneck transfer path. The reduction in the effective barrier height could be explained by the harmonic transition state theory with a zero-point energy correction; a significant difference in zero-point energies for at the positions in the O bonding equilibrium state and a bond-breaking transition state was the primary cause of the reduction. This suggests that the assumption of immobile in solid oxides is not always satisfied since such a significant decrease in diffusion barrier height can also occur in other oxides.

Local electronic structure of interstitial hydrogen in MgH inferred from muon study

門野 良典*; 平石 雅俊*; 岡部 博孝*; 幸田 章宏*; 伊藤 孝

Journal of Physics; Condensed Matter, 35(28), p.285503_1 - 285503_13, 2023/07

https://doi.org/10.1088/1361-648X/acccc7

Magnesium hydride has great potential as a solid hydrogen (H) storage material because of its high H storage capacity of 7.6 wt%. However, its slow hydrogenation and dehydrogenation kinetics and the high temperature of 300 C required for decomposition are major obstacles to small-scale applications such as automobiles. The local electronic structure of interstitial H in MgH is an important fundamental knowledge in solving this problem, which has been studied mainly based on density functional theory (DFT). However, few experimental studies have been performed to assess the results of DFT calculations. We have therefore introduced muon (Mu) as pseudo-H into MgH and investigated the corresponding interstitial H states by analyzing their electronic and dynamical properties in detail. As a result, we observed multiple Mu states similar to those observed in wide-gap oxides, and found that their electronic states can be attributed to relaxed-excited states associated with donor/acceptor levels predicted by the recently proposed ambipolarity model. This provides an indirect support for the DFT calculations on which the model is based via the donor/acceptor levels. An important implication of the muon results for improved hydrogen kinetics is that dehydrogenation, serving as a reduction for hydrides, stabilises the interstitial H state.

Conformation, hydration, and ligand exchange process of ruthenium nitrosyl complexes in aqueous solution; Free-energy calculations by a combination of molecular-orbital theories and different solvent models

城戸 健太朗; 金子 政志

Journal of Computational Chemistry, 44(4), p.546 - 558, 2023/02

AA2022-0469.pdf:1.33MB

https://doi.org/10.1002/jcc.27021

Distribution of solvent molecules near transition-metal complex is key information to comprehend the functionality, reactivity and so on. However, polarizable continuum solvent models still are the standard and conventional partner of molecular-orbital (MO) calculations in the solution system including transition-metal complex. In this study, we investigate the conformation, hydration structure and ligand substitution reaction between NO and HO in aqueous solution for [Ru(NO)(OH)(NO)] (), [Ru(NO)(OH)(NO)(ONO)] () and [Ru(NO)(OH)(NO)(HO)] () using a combination method of MO theories and a state-of-the-art molecular solvation technique (NI-MC-MOZ-SCF). In the complexes, the treatment is essentially required because except for nitrosyl ligand, a strong hydrogen bond is formed between the ligand and solvent water. These results are complementary to the data previously obtained by N NMR experiment. A dominant species is found in the complex conformers and, as expected, different between the solvent models, which reveals that molecular solvation beyond continuum media treatment are required for a reliable description of solvation near transition-metal complex. In the stability constant evaluation of ligand substitution reaction, similar to the previous reports, an assumption that considers the direct association between the dissociated nitrite anion and complex is useful to obtain a reliable stability constant.

Sensitivity coefficient evaluation of an accelerator-driven system using ROM-Lasso method

方野 量太; 山本 章夫*; 遠藤 知弘*

Nuclear Science and Engineering, 196(10), p.1194 - 1208, 2022/10

https://doi.org/10.1080/00295639.2022.2067447

本研究では、炉心核特性の核反応断面積に対する感度係数を効率的に行うROM-Lasso法を提案した。本手法は、求めたい感度係数ベクトルを、Reduced Order Modeling (ROM)の考えた方に基づき、Active Subspace (AS)と呼ばれる部分空間基底で展開する。その後、各展開係数をランダムサンプリングにより得られる多数の微視的多群断面積摂動セットと炉心核特性を用いたLasso線形回帰によって求める。本手法はForward計算のみ実施するためAdjoint法の適用が困難な場合でも適用が可能である。さらに、ASは感度係数ベクトルをより少ない次元数で再現する実効的な部分空間であり、元の次元数(入力パラメータ数)より大幅に未知数を削減することから、ASを用いないLasso推定と比較し劇的に計算コストを改善する。本論文では検証計算としてADS燃焼計算における感度係数評価を行い、ASを求める具体的な処方を示し、提案手法の適用性を示した。

HTTRの核的パラメータの計算; 2021年度夏期休暇実習報告

五十川 浩希*; 直井 基将*; 山崎 誠司*; Ho, H. Q.; 片山 一成*; 松浦 秀明*; 藤本 望*; 石塚 悦男

JAEA-Technology 2022-015, 18 Pages, 2022/07

JAEA-Technology-2022-015.pdf:1.37MB

2021年度の夏期休暇実習において、HTTRの約10年の長期停止が臨界制御棒位置に与える影響及びMVPによるVHTRC-1炉心の遅発中性子割合の計算について検討した。この結果、長期停止が臨界制御棒位置に与える影響については、燃料内のPu、Am、Pm、Sm、Gdの密度変化が影響して制御棒が4.00.8cm引抜かれること、この計算値が測定値である3.9cmと近い値になることが明らかとなった。また、MVPによる遅発中性子割合の計算精度を確認するためVHTRC-1炉心について計算した結果、測定値を約10%過小評価することが明らかとなった。