Fundamental Study for Suppresion of Corrosion and Recontamination in Reactor Cooling System by Multiscale Computational Chemistry Based on Quantum Theory
Project/Area Number |
17H03516
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Research Category |
Grant-in-Aid for Scientific Research (B)
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Allocation Type | Single-year Grants |
Section | 一般 |
Research Field |
Nuclear engineering
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Research Institution | Tohoku University |
Principal Investigator |
Hatakeyama Nozomu 東北大学, 未来科学技術共同研究センター, 准教授 (50312666)
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Co-Investigator(Kenkyū-buntansha) |
宮本 明 東北大学, 未来科学技術共同研究センター, 名誉教授 (50093076)
宮本 直人 東北大学, 未来科学技術共同研究センター, 准教授 (60400462)
三浦 隆治 東北大学, 未来科学技術共同研究センター, 助教 (00570897)
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Project Period (FY) |
2017-04-01 – 2020-03-31
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Project Status |
Completed (Fiscal Year 2019)
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Budget Amount *help |
¥16,640,000 (Direct Cost: ¥12,800,000、Indirect Cost: ¥3,840,000)
Fiscal Year 2019: ¥3,900,000 (Direct Cost: ¥3,000,000、Indirect Cost: ¥900,000)
Fiscal Year 2018: ¥4,680,000 (Direct Cost: ¥3,600,000、Indirect Cost: ¥1,080,000)
Fiscal Year 2017: ¥8,060,000 (Direct Cost: ¥6,200,000、Indirect Cost: ¥1,860,000)
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Keywords | 防災 / 原子力エネルギー / シミュレーション工学 / 触媒・化学プロセス / 原子エネルギー |
Outline of Final Research Achievements |
A theoretical study was conducted on the coating technology of platinum nano particles on the surface of a cooling water piping in a nuclear reactor to mitigate corrosion and lower recontamination by radioactive elements. Based on the ultra-accelerated quantum molecular dynamics method that enables finite temperature dynamics calculation, a macroscale electrochemical simulator for calculating anodic polarization curves under the reactor operating condition and a mesoscale modeling of oxide film were developed, therefore a theoretical model was established as a basis for suppressing the corrosion recontamination of the reactor cooling water system by multiscale computational chemistry.
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Academic Significance and Societal Importance of the Research Achievements |
腐食をメソスケールの孔食構造まで考慮しつつ,実測と比較しうるアノード分極曲線を電気化学的にシミュレーションする研究は,現在のところ他に例を見ない.また,量子分子動力学法により,有限温度下でのダイナミックスを扱った例も極めて少ない.そのような各スケールに適した計算手法のシミュレータを繋ぐマルチスケール計算化学によって,原子炉冷却系における腐食再汚染抑止に資する独自のシミュレーション基盤を確立することができた.
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Report
(4 results)
Research Products
(36 results)
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[Journal Article] Validation of Wearable Kinematic GNSS Receiver for Cross-Country Skiing2019
Author(s)
Naoto Miyamoto, Masaki Takeda, Thomas Stoggle, Olli Ohtonen, Vesa Linnamo, Tatsuo Morimoto, Ryuji Miura, Nozomu Hatakeyama, Akira Miyamoto, Masanori Hariyama, Stefan Lindinger
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Journal Title
8th International Congress on Science and Skiing (ICSS 2019)
Volume: -
Related Report
Peer Reviewed / Int'l Joint Research
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[Journal Article] Graphene-basd ordered framework with a diverse range of carbon polygons formed in zeolite nanochannels2017
Author(s)
Hirotomo Nishihara, Hiroyuki Fujimoto, Hiroyuki Ito, Keita Nomura, Hideki Tanaka, Minoru T. Miyahara, Patrick A. Bonnaud, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto, Kazutaka Ikeda, Toshiya Otomo, Takashi Kyotani
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Journal Title
Carbon
Volume: 129
Pages: 854-862
DOI
Related Report
Peer Reviewed / Open Access / Int'l Joint Research
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[Presentation] Validation of Wearable Kinematic GNSS Receiver for Cross-Country Skiing2019
Author(s)
Naoto Miyamoto, Masaki Takeda, Thomas Stoggle, Olli Ohtonen, Vesa Linnamo, Tatsuo Morimoto, Ryuji Miura, Nozomu Hatakeyama, Akira Miyamoto, Masanori Hariyama, Stefan Lindinger
Organizer
8th International Congress on Science and Skiing (ICSS 2019)
Related Report
Int'l Joint Research
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[Presentation] Molecular Simulation Analysis for Adhesion Mechanisms Involved in Polyethylene Processed by Cold Spray2017
Author(s)
Yukie Ishizawa, Kenji Inaba, Ryuji Miura, Ai Suzuki, Naoto Miyamoto, Nozomu Hatakeyama, Akira Miyamoto, Kazuhiro Ogawa, Chrystelle Bernard, Jean-Yves Cavaille, Olivier Lame, Kesavan Ravi
Organizer
Fourteenth International Conference on Flow Dynamics
Related Report
Int'l Joint Research
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