List of Research Output | FY 2023

Papers, peer-reviewed conference proceedings etc.

【Computer Science Research and Development Office】

＜Research papers＞

Idomura Yasuhiro, Dif-Pradalier Guillhem, Garbet Xavier, Sarazin Yanick, Tore Supra Teams, "Full-f gyrokinetic simulations of ohmic L-mode plasmas in linear and saturated ohmic confinement regimes", Physics of Plasmas, Vol.30, No.4, pp.042508_1-042508_18 (2023).
Watanabe Seiya, Kawahara Jun, Aoki Takayuki, Sugihara Kenta, Takase Shinsuke, Moriguchi Shuji, Hashimoto Hirotada, "Free-surface flow simulations with floating objects using lattice Boltzmann method", Engineering Applications of Computational Fluid Mechanics, Vol.17, No.1, pp.2211143_1-2211143_23 (2023).
Kawamura Takuma, Hasegawa Yuta, Idomura Yasuhiro, "Interactive steering on in situ particle-based volume rendering framework", Journal of Visualization, pp.19 (2023).
Hasegawa Yuta, Onodera Naoyuki, Asahi Yuichi, Ina Takuya, Imamura Toshiyuki, Idomura Yasuhiro, "Continuous data assimilation of large eddy simulation by lattice Boltzmann method and local ensemble transform Kalman filter (LBM-LETKF)", Fluid Dynamics Research, Vol.55, No.6, pp.065501_1-065501_25 (2023).

【Simulation Technology Research and Development Office】

＜Research papers＞

Suzudo Tomoaki, Ebihara Kenichi, Tsuru Tomohito, Mori Hideki, "Emergence of crack tip plasticity in semi-brittle α-Fe", Journal of Applied Physics, Vol.135, No.7, pp.075102_1-075102_7 (2024).
Nagai Yuki, Tanaka Akinori, Tomiya Akio, "Self-learning Monte Carlo for non-Abelian gauge theory with dynamical fermions", Physical Review D, Vol.107, No.5, pp.054501_1-054501_16 (2023).
Ebihara Kenichi, Sekine Daiki, Sakiyama Yuji, Takahashi Jun, Takai Kenichi, Omura Tomohiko, "Numerical interpretation of thermal desorption spectra of hydrogen from high-carbon ferrite-austenite dual-phase steel", International Journal of Hydrogen Energy, pp.1-14 (2023).
Shi Wei, Machida Masahiko, Yamada Susumu, Yoshida Toru, Hasegawa Yukihiro, Okamoto Koji, "LASSO reconstruction scheme for radioactive source distributions inside reactor building rooms with spectral information and multi-radionuclide contaminated situations", Annals of Nuclear Energy, Vol.184, pp.109686_1-109686_12 (2023).
Shimizu Kazuyuki, Toda Hiroyuki, Fujihara Hiro, Yamaguchi Masatake, Uesugi Masayuki, Takeuchi Akihisa, Nishijima Masahiko, Kamada Yasuhiro, "Hydrogen embrittlement and its prevention in 7XXX aluminum alloys with high Zn concentrations", Corrosion, Vol.79, No.8, pp.818-830 (2023).
Shi Wei, Machida Masahiko, Yamada Susumu, Yoshida Toru, Hasegawa Yukihiro, Okamoto Koji, "Inverse estimation scheme of radioactive source distributions inside building rooms based on monitoring air dose rates using LASSO; Theory and demonstration", Progress in Nuclear Energy, Vol.162, pp.104792_1-104792_19 (2023).
Yamaguchi Masatake, Ebihara Kenichi, Tsuru Tomohito, Itakura Mitsuhiro, "First-principles calculations of hydrogen trapping energy on incoherent interfaces of aluminum alloys", Materials Transactions, Vol.64, No.11, pp.2553-2559 (2023).
Tang Jianwei, Wang Yofei, Fujihara Hiro, Shimizu Kazuyuki, Hirayama Kyosuke, Ebihara Kenichi, Takeuchi Akihisa, Uesugi Masayuki, Toda Hiroyuki, "Stress corrosion cracking induced by the combination of external and internal hydrogen in Al-Zn-Mg-Cu alloy", Scripta Materialia, Vol.239, pp.115804_1-115804_5 (2024).
Kobayashi Keita, Okumura Masahiko, Nakamura Hiroki, Itakura Mitsuhiro, Machida Masahiko, Urata Shingo, Suzuya Kentaro, "Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses", Scientific Reports (Internet), Vol.13, pp.18721_1-18721_12 (2023).
Ito Yuto, Egusa Daisuke, Yamaguchi Masatake, Abe Eiji, "Non-stoichiometric fcc-base GdOx precipitations in a Mg-Zn-Gd alloy", Materials Transactions, Vol.64, No.8, pp.2022-2025 (2023).
Moriyama Junichiro, Takakuwa Osamu, Yamaguchi Masatake, Ogawa Yuhei, Tsuzaki Kaneaki, "The Contribution of Cr and Ni to hydrogen absorption energy in Fe-Cr-Ni austenitic systems; A First-principles study", Computational Materials Science, Vol.232, pp.112650_1-112650_11 (2024).
Shiga Motoyuki, Thomsen Bo, Kimizuka Hajime, "Inelastic neutron scattering of hydrogen in palladium studied by semiclassical dynamics", Physical Review B, Vol.109, No.5, pp.054303_1-054303_12 (2024).
Urakawa Yutaka, Egusa Daisuke, Itakura Mitsuhiro, Abe Eiji, "Anomalous local lattice softening around kink boundaries in a mille-feuille structured dilute Mg-Zn-Y Alloy", Materials Transactions, Vol.64, No.5, pp.1065-1071 (2023).
Itakura Mitsuhiro, Yamaguchi Masatake, Egusa Daisuke, Abe Eiji, "DFT calculation of high-angle kink boundary in 18R-LPSO alloy", Materials Transactions, Vol.64, No.4, pp.813-816 (2023).
Kwon Hyukjoon, Shiga Motoyuki, Kimizuka Hajime, Oda Takuji, "Accurate description of hydrogen diffusivity in bcc metals using machine-learning moment tensor potentials and path-integral methods", Acta Materialia, Vol.247, pp.118739_1-118739_11 (2023).
Yamaguchi Akiko, Kurihara Yuichi, Nagata Kojiro, Tanaka Kazuya, Higaki Shogo, Kobayashi Toru, Tanida Hajime, Ohara Yoshiyuki, Yokoyama Keiichi, Yaita Tsuyoshi, Yoshimura Takashi, Okumura Masahiko, Takahashi Yoshio, "Molecular geochemistry of radium; A key to understanding cation adsorption reaction on clay minerals", Journal of Colloid and Interface Science, Vol.661, pp.317-332 (2024).
Miyazaki Hidetoshi, Akatsuka Tatsuyoshi, Kimura Koji, Egusa Daisuke, Sato Yohei, Itakura Mitsuhiro, Takagi Yasumasa, Yasui Akira, Ozawa Kenichi, Mase Kazuhiko, Tokunaga Toko, Hayashi Koichi, Hagihara Koji, Abe Eiji, "Investigation of the electronic structure of the Mg99.2Zn0.2Y0.6 alloy using X-ray photoelectron spectroscopy", Materials Transactions, Vol.64, No.6, pp.1194-1198 (2023).
Sato Yohei, Egusa Daisuke, Miyazaki Hidetoshi, Kimura Koji, Itakura Mitsuhiro, Terauchi Masami, Abe Eiji, "STEM-EELS/EDS chemical analysis of solute clusters in a dilute mille-feuille-type Mg-Zn-Y alloy", Materials Transactions, Vol.64, No.5, pp.950-954 (2023).

＜Peer-reviewed conference proceedings＞

Shi Wei, Machida Masahiko, Yamada Susumu, Yoshida Toru, Hasegawa Yukihiro, Okamoto Koji, "LASSO reconstruction scheme to predict radioactive source distributions inside reactor building rooms; Theory & demonstration", Proceedings of Waste Management Symposia 2023 (WM2023) (Internet), "Waste Management Symposia 2 023 (WM2023)", pp.8 (2023).

【Center】

＜Peer-reviewed conference proceedings＞

Machida Masahiko, Shi Wei, Yamada Susumu, Miyamura Hiroko, Yoshida Toru, Hasegawa Yukihiro, Oka moto Koji, Aoki Yuto, Ito Rintaro, Yamaguchi Takashi, Suzuki Masahiro, "LASSO reconstruction scheme to predict radioactive source distributions inside reactor building rooms; Practical applications", Proceedings of Waste Management Symposia 2023 (WM2023) (Internet), "Waste Management Symposia 2023 (WM2023)", pp.11 (2023).

Talks at international and Japanese conferences

【Computer Science Research and Development Office】

＜Talks＞

Asahi Yuichi, Hasegawa Yuta, Onodera Naoyuki, Shimokawabe Takashi, Shiba Hayato, Idomura Yasuhiro, "Generating observation guided ensembles for data assimilation with denosing diffusion probabilistic model", 40th International Conference on Machine Learning (ICML 2023), (Honolulu, U.S.A., Jul. 21-27, 2023).
Hasegawa Yuta, "Panel on high performance computing; Exascale CFD plan in JAEA-CCSE: Towards digital twin of urban wind environment", 20th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-20), (Washington, D.C., U.S.A., Aug. 20-25, 2023).
Asahi Yuichi, Hasegawa Yuta, Padioleau Thomas, Millan Aymeric, Bigot Julien, Grandgirard Virginie, Obrejan Kevin, "Performance portability of Ensemble Kalman Filter using C++ senders/receivers", 2023 Open Accelerated Computing Summit (OACS), (online, Oct. 4, 2023).
Ina Takuya, Idomura Yasuhiro, Imamura Toshiyuki, "Performance evaluation of multi-precision conjugate gradient method in CPU/GPU environment using SYCL", 6th R-CCS International Symposium (RCCS-IS6), (Kobe, Japan, Jan. 29-30, 2024).

【Simulation Technology Research and Development Office】

＜Talks＞

Okumura Masahiko, "Machine learning molecular dynamics; A Fast and highly accurate simulation method for materials", 4th International Conference on Data-Driven Plasma Science (ICDDPS-4), (Onna, Japan, Apr. 16-21, 2023).
Shiga Motoyuki, "Probing quantum effects in materials by ab initio path integral simulations", CECAM Flagship School on Path Integral Quantum Mechanics, (Tel Aviv, Israel, Jun. 4-8, 2023).
Yamaguchi Akiko, Okumura Masahiko, Takahashi Yoshio, "Investigation of factors controlling adsorption structures of cations on clay minerals based on EXAFS, HERFD-XANES, and ab initiocalculation", 33rd Goldschmidt Conference (Goldschmidt 2023), (Lyon, France, Jul. 9-14, 2023).
Okumura Masahiko, Kobayashi Keita, Yamaguchi Akiko, "Super-hydrated kaolinite under high pressure; A Machine learning molecular dynamics study", 33rd Goldschmidt Conference (Goldschmidt 2023), (Lyon, France, Jul. 9-14, 2023).
Yamaguchi Akiko, Okumura Masahiko, Takahashi Yoshio, "Factors controlling adsorption structures of cations on clay minerals investigated by EXAFS measurement and ab initio calculation", Water-Rock Interaction (WRI-17)/ Applied Isotope Geochemistry (AIG-14), (Sendai, Japan, Aug. 18-22, 2023).
Takahashi Yoshio, Yamaguchi Akiko, Yomogida Takumi, "Molecular geochemistry; Systematic understanding of geochemical behaviors of various elements based on XAFS", Water-Rock Interaction (WRI-17)/ Applied Isotope Geochemistry (AIG-14), (Sendai, Japan, Aug. 18-22, 2023).
Shiga Motoyuki, "Path integral Brownian chain molecular dynamics; A Semiclassical approach for vibrational spectra", 34th IUPAP Conference on Computational Physics (CCP2023), (Kobe, Japan, Aug. 4-8, 2023).
Nagai Yuki, Okumura Masahiko, Kobayashi Keita, Shiga Motoyuki, "Self-learning hybrid Monte Carlo method; A First-principles approach", 34th IUPAP Conference on Computational Physics (CCP2023), (Kobe, Japan, Aug. 4-8, 2023).
Shiga Motoyuki, "Brownian chain molecular dynamics; A Path integral approach for vibrational spectra", 5th Conference of Theory and Applications of Computational Chemistry (TACC2023), (Sapporo, Japan, Sep. 4-9, 2023).
Thomsen Bo, Shiga Motoyuki, "Telling hydrogen isotopologues in bulk water apart using path integral molecular dynamics and machine learning potentials", 5th Conference of Theory and Applications of Computational Chemistry (TACC2023), (Sapporo, Japan, Sep. 4-9, 2023).
Nagai Yuki, Iwasaki Yutaka, Takagiwa Yoshiki, Kitahara Koichi, Kimura Kaoru, Shiga Motoyuki, "Atomic diffusion due to hyperatomic fluctuation for quasicrystals and their approximants", International Conference on Complex Orders in Condensed Matter; Aperiodic Order, Local Order, Electronic Order, Hidden Order, (Evian, France, Sep. 24-29, 2023).
Ebihara Kenichi, Fujihara Hiro, Shimizu Kazuyuki, Yamaguchi Masatake, Toda Hiroyuki, "Numerical simulation of hydrogen entering a second phase particle in aluminum", International Hydrogen Conference 2023 (IHC2023), (Park City, U.S.A., Sep. 17-21, 2023).
Shiga Motoyuki, "Brownian chain molecular dynamics; A Semiclassical path integral approach", 6th International Conference on Molecular Simulation (ICMS 2023), (Taipei, Taiwan, Oct. 6-9, 2023).
Thomsen Bo, Shiga Motoyuki, "Machine learning potentials and path integral molecular dynamics for modelling water and its isotopologues", Hieracghical Structure and Machine Learning (HISML) 2023, (Kashiwa, Japan, Oct. 2-13, 2023).
Nagai Yuki, "Self-learning Monte Carlo method for electrons, atoms, and quarks and gluons", East Asia Joint Seminars On Statistical Physics 2023, (Yokohama, Japan, Oct. 11-13, 2023).
Nagai Yuki, Tomiya Akio, "Self-learning Monte Carlo method with equivariant Transformer", Large-scale lattice QCD simulation and application of machine learning, (Tsukuba, Japan, Nov. 23-25, 2023).
Yamaguchi Masatake, Tsuru Tomohito, Ebihara Kenichi, Itakura Mitsuhiro, "First-principles calculations of hydrogen trapping energy on incoherent interfaces in aluminum alloys", Advanced Materials Research Grand Meeting (MRM2023/IUMRS-ICA2023), (Kyoto, Japan, Dec. 11-16, 2023).
Nagai Yuki, "The Self-learning Monte Carlo method; Accelerating simulations with machine learning", 7th Model Calculation Seminars, (Kashiwa, Japan, Dec. 26, 2023).
Okumura Masahiko, "Machine learning molecular dynamics simulations of materials with complex structures", 7th International Symposium on Frontiers in Materials Science (FMS 2024), (Hsinchu, Taiwan, Jan. 21-24, 2024).
Yamada Susumu, Machida Masahiko, "Inverse estimation of radiation source distribution from air dose rates; Introduction of Digital Platform 3D-ADRES-Indoor", 6th R-CCS International Symposium (RCCS-IS6), (Kobe, Japan, Jan.29-30, 2024).

【Center】

＜Talks＞

Idomura Yasuhiro, "Full-f gyrokinetic simulations of LOC-SOC transition using GT5D on Fugaku", US-Japan Joint Institute Fusion Theory (JIFT) Collaboration Meeting on Exascale Computing, (Toki, Japan, Nov. 12-17, 2023).