List of Research Output | FY 2019

Papers, peer-reviewed conference proceedings etc.

【Computer Science Research and Development Office】

＜Research papers＞

Asahi Yuichi, Grandgirard V., Sarazin Y., Donnel P., Garbet X., Idomura Yasuhiro, Dif-Pradalier G., Latu G.

"Synergy of turbulent and neoclassical transport through poloidal convective cells"

Plasma Physics and Controlled Fusion, Vol.61, No.6, pp.065015_1-065015_15 (2019)

Idomura Yasuhiro

"Isotope and Plasma Size Scaling in Ion Temperature Gradient Driven Turbulence"

Phys. Plasmas, Vol.26, No.12, pp.120703_1-120703_5 (2019)

＜Peer-reviewed conference proceedings＞

Watanabe Tadashi

"Numerical simulation of oscillating-rotating liquid droplet"

Proceedings of 3rd IASME/WSEAS International Conference on Continuum Mechanics (CM '08), pp.30-35 (2008)

Onodera Naoyuki, Idomura Yasuhiro, Kawamura Takuma, Uesawa Shinichiro, Yamashita Susumu, Yoshida Hiroyuki

"Fuel debris' air cooling analysis using a lattice Boltzmann method"

Proceedings of 27th International Conference on Nuclear Engineering (ICONE-27) (Internet) (2019)

Ali Y., Onodera N., Idomura Y., Ina T., Imamura T.

"GPU Acceleration of Communication Avoiding Chebyshev Basis Conjugate Gradient Solver for Multiphase CFD Simulations"

2019 IEEE/ACM 10th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA), Denver, CO, USA, pp.1-8 (2019)

【Simulation Technology Research and Development Office】

＜Research papers＞

Fedkin M. V., Shin Y. K., Dasgupta N., Yeon J., Zhang W., van Duin D., Van Duin A. C. T., Mori Kento, Fujiwara Atsushi, Machida Masahiko, Nakamura Hiroki, Okumura Masahiko

"Development of the ReaxFF methodology for electrolyte-water systems"

Journal of Physical Chemistry A, Vol.123, No.10, pp.2125-2141 (2019)

Shiga Motoyuki

"Path integral simulations"

Reference Module in Chemistry, Molecular Sciences and Chemical Engineering (Internet), pp.22 (2018)

Nagai Yuki, Shinaoka Hiroshi

"Smooth self-energy in the exact-diagonalization-based dynamical mean-field theory; Intermediate-representation filtering approach"

Journal of the Physical Society of Japan, Vol.88, No. 6, pp.064004_1-064004_5 (2019)

Nagai Yuki, Kato Yusuke

"Quasiparticle bound states around fractional vortices in s-wave superconductor"

Journal of the Physical Society of Japan, Vol.88, No. 5, pp.054707_1-054707_8 (2019)

Liu X., Machida Masahiko, Kurikami Hiroshi, Kitamura Akihiro

"Long-term simulations of radiocesium discharge in watershed with improved radiocesium wash-off model; Applying the model to Abukuma River basin of Fukushima"

Journal of Environmental Radioactivity, Vol.203, pp.135-146 (2019)

Suno Hiroya, Machida Masahiko

"Quantum chemical calculations for the norbadione A complexes with Cs⁺, K⁺, and Na⁺ in gas and aqueous phases"

Chemical Physics Letters, Vol. 730, pp.26-31 (2019)

Hayakawa Sho, Doihara Kohei, Okita Taira, Itakura Mitsuhiro, Aichi Masaatsu, Suzuki Katsuyuki

"Screw dislocation-spherical void interactions in fcc metals and their dependence on stacking fault energy"

Journal of Materials Science, Vol. 54, No. 17, pp.11509-11525 (2019)

Hayakawa Sho, Okita Taira, Itakura Mitsuhiro, Kawabata Tomoya, Suzuki Katsuyuki

"Atomistic simulations for the effects of stacking fault energy on defect formations by displacement cascades in FCC metals under Poisson's deformation"

Journal of Materials Science, Vol. 54, No. 16, pp.11096-11110 (2019)

Itakura Mitsuhiro, Nakamura Hiroki, Kitagaki Toru, Hoshino Takanori, Machida Masahiko

"First-principles calculation of mechanical properties of simulated debris Zr_xU_1-xO₂"

Journal of Nuclear Science and Technology, Vol. 56, No. 2019/09/10, pp.915-921 (2019)

Kimizuka Hajime, Ogata Shigenobu, Shiga Motoyuki

"Unraveling anomalous isotope effect on hydrogen diffusivities in fcc metals from first principles including nuclear quantum effects"

Physical Review B, Vol.100, No.2, pp. 024104_1-024104_9 (2019)

Chang Y. L., Sasaki Takehiko, Ribas-Ariño, J., Machida, Masahiko, Shiga, Motoyuki

"Understanding competition of polyalcohol dehydration reactions in hot water"

Journal of Physical Chemistry B, Vol.123, No.7, pp.1662-1671 (2019)

Kim M., Malins A., Yoshimura Kazuya, Sakuma Kazuyuki, Kurikami Hiroshi, Kitamura Akihiro, Machida Masahiko, Hasegawa Yukihiro, Yanagi Hideaki

"Simulation study of the effects of buildings, trees and paved surfaces on ambient dose equivalent rates outdoors at three suburban sites near Fukushima Dai-ichi"

Journal of Environmental Radioactivity, Vol. 210, pp.105803_1-105803_10 (2019)

Matsushita Taiki, Nagai Yuki, Fujimoto Satoshi

"Disorder-induced exceptional and hybrid point rings in Weyl/Dirac semimetals"

Physical Review B, Vol.100, No.24, pp.245205_1-245205_9 (2019)

Malins A., Machida Masahiko, Vu T. D., Aizawa Kazuya, Ishida Takekazu

"Monte Carlo radiation transport modelling of the current-biased kinetic inductance detector"

Nuclear Instruments and Methods in Physics Research A, Vol.953, pp.163130_1-163130_7 (2020)

Nakamura Hiroki, Machida Masahiko

"First-principles calculation study on phonon thermal conductivity of thorium and plutonium dioxides: Intrinsic anharmonic phonon-phonon and extrinsic grain-boundary-phonon scattering effects"

Journal of Nuclear Materials, Vol.519, pp.45-51 (2019)

Osawa Kazuhito, Toyama Takeshi, Hatano Yuji, Yamaguchi Masatake, Watanabe Hideo

"Stable structure of hydrogen atoms trapped in tungsten divacancy"

Journal of Nuclear Materials, Vol.527, pp.151825_1-151825_7 (2019)

Bendo A., Maeda Tomoyoshi, Matsuda Kenji, Lervik A., Holmestad R., Marioara C. D., Nishimura Katsuhiko, Nunomura Norio, Toda Hiroyuki, Yamaguchi Masatake, Ikeda Kenichi, Homma Tomoyuki

"Characterisation of structural similarities of precipitates in Mg-Zn and Al-Zn-Mg alloys systems"

Philosophical Magazine, Vol.99, No.21, pp.2619-2635 (2019)

＜Peer-reviewed conference proceedings＞

Suzudo Tomoaki, Onitsuka Takashi, Fukumoto Kenichi

"Analyzing the cross slip motion of screw dislocations at finite temperatures in body-centered-cubic metals; Molecular statics and dynamics studies"

Modelling and Simulation in Materials Science and Engineering, "9th International Conference on Multiscale Materials Modeling (MMM 2018)", Vol.27, No.6, pp.064001_1-064001_15 (2019)

Talks at international and Japanese conferences

【Computer Science Research and Development Office】

＜Talks＞

Idomura Yasuhiro

"Gyrokinetic simulation of fusion plasma"

9th East-Asia School and Workshop on Laboratory, Space, and Astrophysical Plasmas, (Nagoya, Japan, July 29-August 2, 2019)

Idomura Yasuhiro, Yussuf A., Onodera Naoyuki, Hasegawa Yuta, Ina Takuya

"Performance portability of large scale distributed Krylov solvers with OpenACC and CUDA"

OpenACC Annual Meeting 2019, (Kobe, Japan, September 2, 2019)

Kawamura Takuma

"In-situ visualization based on particle based volume rendering"

1st CEA-JAEA Collaboration Workshop on Computational Nuclear Engineering, (Kashiwa, Japan, October 2, 2019)

Idomura Yasuhiro

"Computational nuclear engineering at JAEA and Post-K project"

1st CEA-JAEA Collaboration Workshop on Computational Nuclear Engineering, (Kashiwa, Japan, October 2, 2019)

Onodera Naoyuki

"GPU accelerated real-time plume dispersion analysis based on Lattice Boltzmann Method"

1st CEA-JAEA Collaboration Workshop on Computational Nuclear Engineering, (Kashiwa, Japan, October 2, 2019)

Obrejan K., Idomura Yasuhiro, Honda Mitsuru

"Influence of the normalised gyroradius on neoclassical transport in global gyrokinetic simulations using the code GT5D"

18th European Fusion Theory Conference (EFTC 2019), (Ghent, Belgium, October 7-10, 2019)

Yussuf A., Onodera Naoyuki, Idomura Yasuhiro, Ina Takuya, Imamura Toshiyuki

"GPU optimization of matrix solvers"

Joint US-Japan Workshop on PostK-ECP Collaboration and JIFT Exascale Computing Collaboration, (Kobe, Japan, October 28, 2019)

Idomura Yasuhiro

"Status of GT5D"

Joint US-Japan Workshop on PostK-ECP Collaboration and JIFT Exascale Computing Collaboration, (Kobe, Japan, October 28, 2019)

Idomura Yasuhiro

"Communication-avoiding sparse matrix solvers for extreme scale nuclear CFD simulations"

Asian Pacific Congress on Computational Mechanics (APCOM 2019), (Taipei, Taiwan, December 18-21, 2019)

Onodera Naoyuki

"Real-time wind simulation using locally mesh-refined lattice Boltzmann method"

GPU Computing Workshop for Advanced Manufacturing 2019 (GPU 2019), (東京, 日本, 2019年12月6日)

Kawamura Takuma, Idomura Yasuhiro, Onodera Naoyuki

"Interactive in-situ visualization of GPU-accelerated simulations using particle-based volume rendering"

International Conference on High Performance Computing in Asia-Pacific Region (HPC Asia 2020), (Fukuoka, Japan, Jan. 15-17, 2020)

Idomura Yasuhiro, Ali Y., Ina Takuya, Imamura Toshiyuki

"Optimization of Fusion Plasma Turbulence Code GT5D on FUGAKU and SUMMIT"

The 2nd R-CCS International Symposium, (Kobe, Japan, Feb. 17-18, 2020)

【Simulation Technology Research and Development Office】

＜Talks＞

Yamada Susumu, Machida Masahiko

"Studies for environmental impact of released radioactive materials under their mitigation measures in both inside and outside FDNPP harbor area using a nested CFD simulation code"

European Geosciences Union General Assembly 2019, (Vienna, Austria, April 7-12, 2019)

Liu X, Machida Masahiko, Saito Kimiaki, Tanimura Naoki

"A Study of KURAMA measurement data by sparse modeling"

International Topical Workshop on Fukushima Decommissioning Research (FDR 2019), (Naraha, Japan, May 24-26, 2019)

Thomsen B., Shiga Motoyuki

"Understanding the broadening of the H₉O₄⁺ Infra-Red spectrum through clustering of path integral molecular dynamics trajectories"

15th International Workshop on Quantum Reactive Scattering (QRS 2019), (Saitama, Japan, July 1-5, 2019)

Ebihara Kenichi, Suzudo Tomoaki, Yamaguchi Masatake

"Rate theory model of phosphorus grain boundary segregation considering atomistic processes"

5th International Workshop on Structural Materials for Innovative Nuclear Systems (SMINS-5), (Kyoto, Japan, July 8-11, 2019)

Itakura Mitsuhiro

"First-principles calculation of mechanical properties of simulated debris Zr_xU_1-xO₂"

Fukushima Research Conference on Materials Science for Severe Accident and Fukushima Daiichi Decommissioning Workshop 2019, (Naraha, Japan, July 10-12, 2019)

Yamada Susumu, Machida Masahiko, Imamura Toshiyuki

"Tuning strategy of solving the Hubbard model by LOBPCG method on CUDA GPU",

15th U.S. National Congress on Computational Mechanics (USNCCM-15), (Austin, U. S. A., July 28-August 1, 2019)

Takahashi Yoshio, Tsuboi Hiroyuki, Yamaguchi Akiko

"Molecular geochemistry of interactions of various hard cations and phyllosilicates related to their environmental behaviors and isotope fractionation"

29th Goldschmidt Conference (Goldschmidt 2019), (Barcelona, Spain, August 18-23, 2019)

Nagai Yuki, Qi Y., Isobe Hiroki, Kozii, V., Fu, L.

"Bulk topological Fermi arcs in heavy fermion systems; Non-Hermitian topology meets DMFT"

International Workshop on Quantum Criticality and Topology in Correlated Electron Systems, (Dresden, Germany, August 5-9, 2019)

Nagai Yuki, Okumura Masahiko, Tanaka Akinori

"Self-learning Monte Carlo method; Speedup of the Markov chain Monte Carlo with machine learning"

Quantum Engineering meets Harmonic Analysis, (Saskatoon, Canada, August 12-16, 2019)

Yamaguchi Akiko, Kuribara Yuichi, Okumura Masahiko, Takahashi Yoshio

"Fixation of radium by adsorption on clay minerals based on analyses of core samples around Ningyo-toge uranium mine"

17th International Conference on the Chemistry and Migration Behavior of Actinides and Fission Products in the Geosphere (Migration 2019), (Uji, Japan, September 15-20, 2019)

Suno Hiroya, Machida Masahiko, Dohi Terumi, Omura Yoshihito, Sasaki Yoshito

"Computational molecular study of predominant organic molecules in forest ecosystems concerning cesium accumulation and transport"

17th International Conference on the Chemistry and Migration Behavior of Actinides and Fission Products in the Geosphere (Migration 2019), (Uji, Japan, September 15-20, 2019)

Okumura Masahiko, Kerisit S., Bourg I., Lammers L., Ikeda Takashi, Sassi M., Rosso K., Machida Masahiko

"Addressing radiocesium contamination in Fukushima waste soil through the lens of systematic numerical simulations"

17th International Conference on the Chemistry and Migration Behavior of Actinides and Fission Products in the Geosphere (Migration 2019), (Uji, Japan, September 15-20, 2019)

Nagai Yuki

"Non hermitian physics in strongly electron systems"

3rd EPiQS-TMS alliance workshop on Topological Phenomena in Quantum Materials (TPQM 2019), (Santa Barbara, U. S. A., October 21-25, 2019)

Nagai Yuki, Okumura Masahiko, Kobayashi Keita, Shiga Motoyuki

"Self-learning Hybrid Monte Carlo for first-principles molecular simulations"

Deep Learning and Physics 2019 (DLAP 2019), (Kyoto, Japan, October 31- November 2, 2019)

Koshiro Hidehiko, Nagai Yuki

"Self-learning Monte Carlo simulation in the semiclassical site-diluted double-exchange model"

Workshop on Tensor Network States; Algorithms and Applications 2019-2020 (TNSAA 2019-2020), (Taipei, Taiwan, December 4-6, 2019)

Nagai Yuki, Qi Y., Isobe Hiroki, Kozii V., Fu L.

"Non-Hermitian effective Hamiltonian for low-energy quasiparticles"

International Conference on Topological Materials Science 2019 (TopoMat2019), (Kyoto, Japan, December 3-7, 2019)

Suzudo Tomoaki, Tsuru Tomohito

"First principles modeling on radiation defects in W and W-based alloys"

4th International Workshop on Models and Data for Plasma-Material Interaction in Fusion Devices (MoD-PMI 2019), (Toki, Japan, June 18-20, 2019)

Thomsen B., Shiga Motoyuki

"Calculating the pK_w of subcritical and critical H₂O and D₂O"

1st International Symposium "Hydrogenomics" combined with 14th International Symposium Hydrogen & Energy, (Sapporo, Japan, Jan. 14, 2020)

Nagai Yuki

"Self-learning Monte Carlo; Machine learning speeds up the Markov chain Monte Carlo"

TPI Seminars in University of Alberta, (Edmonton, Canada, Feb. 27, 2020)

Suzudo Tomoaki, Toyama Takeshi, Nagai Yasuyoshi

"Origin of hardening in spinodally-decomposed Fe-Cr binary alloys"

149th Annual Meeting & Exhibition (TMS 2020), (San Diego, U. S. A., Feb. 23-27, 2020)

Yoshida Kenta, Du Y., Shimada Yusuke, Suzudo Tomoaki, Toyama Takeshi, Inoue Koji, Arakawa Kazuto, Milan K. J., Gerard R., Nagai Yasuyoshi

"In-situ weak-beam scanning transmission electron microscopy for quantitative dislocation analysis in nuclear materials during post-irradiation annealing"

12th Asia-Pacific Microscopy Conference (APMC 2020), (Hyderabad, India, Feb. 3-7, 2020)