List of Research Output | FY 2018

Papers, peer-reviewed conference proceedings etc.

【Computer Science Research and Development Office】

＜Research papers＞

Inagaki Atsushi, Kanda Manabu, Ahmad N. H., Yagi Ayako, Onodera Naoyuki, Aoki Takayuki “A Numerical study of turbulence statistics and the structure of a spatially-developing boundary layer over a realistic urban geometry” Boundary-Layer Meteorology, Vol.164, No.2, pp.161-181 (2017)
Matsuoka Seikichi, Idomura Yasuhiro, Satake Shinsuke “Neoclassical transport benchmark of global full-f gyrokinetic simulation in stellarator configurations” Physics of Plasmas, Vol.25, No.2, pp.022510_1- 022510_10 (2018)
Wainwright H. M., Seki Akiyuki, Mikami Satoshi, Saito Kimiaki “Characterizing regional-scale temporal evolution of air dose rates after the Fukushima Daiichi Nuclear Power Plant accident” Journal of Environmental Radioactivity, Vol.189, pp.213-220 (2018)
Maeyama Shinya, Watanabe Tomohiko, Idomura Yasuhiro, Nakata Motoki, Nunami Masanori “Implementation of a gyrokinetic collision operator with an implicit time integration scheme and its computational performance” Computer Physics Communications, Vol.235, pp.9-15 (2019)

＜Peer-reviewed conference proceedings＞

Shimokawabe Takashi, Endo Toshio, Onodera Naoyuki, Aoki Takayuki “A Stencil framework to realize large-scale computations beyond device memory capacity on GPU supercomputers” Proceedings of 2017 IEEE International Conference on Cluster Computing (IEEE Cluster 2017) (Internet), pp.525-529 (2017)
Onodera Naoyuki, Idomura Yasuhiro “Acceleration of wind simulation using locally mesh-refined Lattice Boltzmann Method on GPU-Rich supercomputers” Lecture Notes in Computer Science 10776 (Proceedings of 4th Asian Conference on Supercomputing Frontiers), pp.128-145 (2018)
Idomura Yasuhiro, Ina Takuya, Mayumi Akie, Yamada Susumu, Imamura Toshiyuki “Application of a preconditioned Chebyshev basis communication-avoiding conjugate gradient method to a multiphase thermal-hydraulic CFD code” Lecture Notes in Computer Science 10776 (Proceedings of 4th Asian Conference on Supercomputing Frontiers), pp.257-273 (2018)
Onodera Naoyuki, Idomura Yasuhiro “Acceleration of plume dispersion simulation using locally mesh-refined lattice Boltzmann method” Proceedings of 26th International Conference on Nuclear Engineering (ICONE-26) (Internet), p.7 (2018)
Onodera Naoyuki, Idomura Yasuhiro, Yussuf A., Shimokawabe Takashi “Communication Reduced Multi-time-step Algorithm for Real-time Wind Simulation on GPU-based Supercomputers” Proceedings of 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA 2018) (Internet), pp.9-16 (2018)
Idomura Yasuhiro, Ina Takuya, Yamashita Susumu, Onodera Naoyuki, Yamada Susumu, Imamura Toshiyuki “Communication avoiding multigrid preconditioned conjugate gradient method for extreme scale multiphase CFD simulations” Proceedings of 9th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA 2018) (Internet), pp.17-24 (2018)

【Simulation Technology Research and Development Office】

＜Research papers＞

Nagai Yuki, Ota Yukihiro, Machida Masahiko “Topological s-wave pairing superconductivity with spatial inhomogeneity; Midgap-state appearance and robustness of superconductivity” Journal of the Physical Society of Japan, Vol.84, No.3, pp.034711_1-034711_8 (2015)
Honda Tomohiro, Minoshima Yusuke, Yokoi Yuki, Takayanagi Toshiyuki, Shiga Motoyuki “Semiclassical dynamics of electron attachment to guanine-cytosine base pair” Chemical Physics Letters, Vol.625, pp.174-178 (2015)
Okumura Masahiko, Kerisit S., Bourg, I. C., Lammers L. N., Ikeda Takashi, Sassi M., Rosso, K. M., Machida Masahiko “Radiocesium interaction with clay minerals; Theory and simulation advances Post-Fukushima” Journal of Environmental Radioactivity, Vol.189, pp.135-145 (2018)
Doihara Kohei, Okita Taira, Itakura Mitsuhiro, Aichi Masaatsu, Suzuki Katsuyuki “Atomic simulations to evaluate effects of stacking fault energy on interactions between edge dislocation and spherical void in face-centred cubic metals” Philosophical Magazine, Vol.98, No.22, pp.2061-2076 (2018)
Suzudo Tomoaki, Tsuru Tomohito, Hasegawa Akira “First-principles study of solvent-solute mixed dumbbells in body-centered-cubic tungsten crystals” Journal of Nuclear Materials, Vol.505, pp.15-21 (2018)
Ebihara Kenichi, Suzudo Tomoaki “Atomistic simulation of phosphorus segregation to Σ3(111) symmetrical tilt grain boundary in α-iron” Modelling and Simulation in Materials Science and Engineering, Vol.26, No.6, pp. 065005_1-065005_10 (2018)
Nordlund K., Zinkle S. J., Sand A. E., Granberg F., Averback R. S., Stoller R., Suzudo Tomoaki, Malerba L., Banhart F., Weber W. J., Willaime F., Dudarev S. L., Simeone D. “Improving atomic displacement and replacement calculations with physically realistic damage models” Nature Communications, Vol.9, pp. 1084_1-1084_8 (2018)
Yamaguchi Masatake, Ebihara Kenichi, Itakura Mitsuhiro, Tsuru Tomohito, Matsuda Kenji, Toda Hiroyuki “First-principles calculation of multiple hydrogen segregation along aluminum grain boundaries” Computational Materials Science, Vol.156, pp.368-375 (2019)
Ikeda Shugo, Tsuchiya Yu, Zhang X.-W., Kishimoto Shunji, Kikegawa Takumi, Yoda Yoshitaka, Nakamura Hiroki, Machida Masahiko, Glasbrenner J., Kobayashi Hisao “New antiferromagnetic order with pressure-induced superconductivity in EuFe₂As₂” Physical Review B, Vol.98, No.10, pp.100502_1-100502_6 (2018)
Ozama Eiki, Adachi Sadia, Takayanagi Toshiyuki, Shiga Motoyuki “Quantum simulation verifies the stability of an 18-coordinated actinium-helium complex” Chemistry; A European Journal, Vol.24, No.48, pp.12716-12721 (2018)
Nakanishi Daiki, Kawabata Tomoya, Doihara Kohei, Okita Taira, Itakura Mitsuhiro, Suzuki Katsuyuki “Effects of stacking fault energies on formation of irradiation-induced defects at various temperatures in face-centred cubic metals” Philosophical Magazine, Vol.98, No.33, pp.3034-3047 (2018)
Hayakawa Sho, Okita Taira, Itakura Mitsuhiro, Aichi Masaatsu, Suzuki Katsuyuki “Interactions between clusters of self-interstitial atoms via a conservative climb in BCC-Fe” Philosophical Magazine, Vol.98, No.25, pp.2311-2325 (2018)
Nordlund K., Zinkle S. J., Sand A. E., Granberg F., Averback R. S., Stoller R. E., Suzudo Tomoaki, Malerba L., Banhart F., Weber W. J., Willaime F., Dudarev S. L., Simeone D. “Primary radiation damage; A Review of current understanding and models” Journal of Nuclear Materials, Vol.512, pp.450-479 (2018)
Malins A., Kurikami Hiroshi, Kitamura Akihiro, Machida Masahiko “Modelling the effect of mechanical remediation on dose rates above radiocesium contaminated land” Remediation Measures for Radioactively Contaminated Areas, pp.259-272 (2019)
Nishimura Katsuhiko, Matsuda Kenji, Lee S., Nunomura Norio, Shimano Tomoki, Bendo A., Watanabe Katsumi, Tsuchiya Taiki, Namiki Takahiro, Toda Hiroyuki, Yamaguchi Masatake “Abnormally enhanced diamagnetism in Al-Zn-Mg alloys” Journal of Alloys and Compounds, Vol.774, pp.405-409 (2019)
Asari Keisuke, Hetland O. S., Fujita Satoshi, Itakura Mitsuhiro, Okita Taira “The effect of stacking fault energy on interactions between an edge dislocation and a spherical void by molecular dynamics simulations” Journal of Nuclear Materials, Vol.442, No.1, pp.360-364 (2013)
Bendo A., Matsuda Kenji, Lee S., Nishimura Katsuhiko, Toda Hiroyuki, Shimizu Kazuyuki, Tsuru Tomohito, Yamaguchi Masatake “Microstructure evolution in a hydrogen charged and aged Al-Zn-Mg alloy” Materialia, Vol.3, pp.50-56 (2018)
Shiga Motoyuki, Tuckerman M. E. “Finding free-energy landmarks of chemical reactions” Journal of Physical Chemistry Letters, Vol.9, No.21, pp.6207-6214 (2018)
Suzuki Kento, Miyazaki Takaaki, Takayanagi Toshiyuki, Shiga Motoyuki “Nuclear quantum effects in the direct ionization process of pure helium clusters; Path-integral and ring-polymer molecular dynamics simulations on the diatomics-in-molecule potential energy surfaces” Physical Chemistry Chemical Physics, Vol.20, No.41, pp.26489-26499 (2018)

＜Peer-reviewed conference proceedings＞

Higashi Yoichi, Nagai Yuki, Yoshida Tomohiro, Kato Masaru, Yanase Yoichi “Excitation spectra and wave functions of quasiparticle bound states in bilayer Rashba superconductors” Physica C (Proceedings of 27th International Symposium on Superconductivity), Vol.518, pp.1-4 (2015)
Yamada Susumu, Imamura Toshiyuki, Machida Masahiko “Communication avoiding Neumann expansion preconditioner for LOBPCG method; Convergence property of exact diagonalization method for Hubbard model” Parallel Computing is Everywhere (Proceedings of International Conference on Parallel Computing), pp.27-36 (2018)
Yamada Susumu, Imamura Toshiyuki, Machida Masahiko “High performance LOBPCG method for solving multiple eigenvalues of Hubbard model; Efficiency of communication avoiding Neumann expansion preconditioner” Lecture Notes in Computer Science 10776 (Proceedings of 4th Asian Conference on Supercomputing Frontiers), pp.243-256 (2018)
Nagai Yuki, Ota Yukihiro, Tanaka Kaori “Time-reversal symmetry breaking phase and gapped surface states in d-wave nanoscale superconductors” Journal of Physics; Conference Series, Nol.969, pp.012039_1-012039_6 (2018)

Talks at international and Japanese conferences

【Computer Science Research and Development Office】

＜Talks＞

Seki Akiyuki “Progress report of data integration of time-series environmental monitoring data” JAEA-LBNL Collaboration Meeting (Berkeley, U.S.A., March 7-9, 2018)
Seki Akiyuki, Suzuki Kenta, Akazaki Tomohiko, Tamori Kiyomi, Kitamura Tomoko, Sugiyama Noriko, Saito Kimiaki, Takemiya Hiroshi “Development of information systems for understanding environmental monitoring data on the Fukushima Daiichi Nuclear Power Plant accident” 5th European IRPA Congress (IRPA 2018) (Hague, Netherlands, June 4-8, 2018)
Idomura Yasuhiro “Computational challenges towards exa-scale fusion plasma turbulence simulations” 13th World Congress in Computational Mechanics (WCCM 2018) (New York, U.S.A., July 22-27, 2018)
Idomura Yasuhiro “Status of GT5D” 4th US-Japan Joint Institute for Fusion Theory (JIFT) Workshop on Innovations and Co-Designs of Fusion Simulations towards Extreme Scale Computing (Princeton, U.S.A., July 30-31, 2018)
Matsuoka Seikichi, Idomura Yasuhiro, Satake Shinsuke, Honda Mitsuru, Suzuki Yasuhiro “Development of GT5D for stellarator configurations” 4th US-Japan Joint Institute for Fusion Theory (JIFT) Workshop on Innovations and Co-Designs of Fusion Simulations towards Extreme Scale Computing (Princeton, U.S.A., July 30-31, 2018)
Imamura Toshiyuki, Idomura Yasuhiro, Ina Takuya, Yamashita Susumu, Onodera Naoyuki, Yussuf, A., Yamada Susumu “Development of exascale matrix solvers based on communication avoiding algorithms” 4th US-Japan Joint Institute for Fusion Theory (JIFT) Workshop on Innovations and Co-Designs of Fusion Simulations towards Extreme Scale Computing (Princeton, U.S.A.,July 30-31, 2018)
Onodera, Naoyuki “Large-scale wind simulation using lattice Boltzmann method on GPU-Rich supercomputer” 26th International Conference on Nuclear Engineering (ICONE-26) (London, U.K., July 22-26, 2018)
Yussuf A., Ina Takuya, Onodera Naoyuki, Idomura Yasuhiro “Porting a state-of-the-art communication avoiding Krylov subspace solver on P100 GPUs” GTC Japan 2018 (Tokyo, Japan, September 13-14, 2018）
Obrejan K., Idomura Yasuhiro, Honda Mitsuru “Introduction of a multi-species collision operator in GT5D and its application to heavy impurity transport” Numerical Methods for the Kinetic Equations of Plasma Physics (NumKin2018) (Garching, Germany, October 22-25, 2018)
Onodera Naoyuki, Idomura Yasuhiro, Yussuf A., Shimokawabe Takashi “Communication reduced multi-time-step algorithm for the AMR-based lattice Boltzmann method on GPU-rich supercomputers” The 1st R-CCS International Symposium (Kobe, Japan, February 18-19, 2019)
Idomura Yasuhiro, Ina Takuya, Obrejan K., Asahi Yuichi, Matsuoka Seikichi, Imamura Toshiyuki “Development of exascale fusion plasma turbulence simulations for post-K” The 1st R-CCS International Symposium (Kobe, Japan, February 18-19, 2019)
Obrejan K., Idomura Yasuhiro, Honda Mitsuru “Numerical study of neoclassical impurity transport using the code GT5D” 2019 US-EU Transport Task Force Workshop (TTF 2019) (Austin, U.S.A., March, 18-21, 2019)

【Simulation Technology Research and Development Office】

＜Talks＞

Suzudo Tomoaki “Modeling of solute effects on radiation damage in W-based alloys” 14th International Conference on Computer Simulation of Radiation Effects in Solids (COSIRES 2018) (Shanghai, China, June 18-22, 2018)
Nagai Yuki, Qi Y., Isobe Hiroki, Kozii V., Fu L. “Bulk Fermi arcs in heavy fermion systems” International Workshop on Symmetry & Topology in condensed-matter physics (Tokyo, Japan, June19-21, 2018)
Nagai Yuki, Qi Y., Isobe Hiroki, Kozii V., Fu L. “Bulk Topological Fermi arcs in heavy fermion systems” 4th Conference on Condensed Matter Physics (CCMP 2018) (Shanghai, China, July 5-8, 2018)
Nagai Yuki, Qi Y., Isobe Hiroki, Kozii V., Fu L. “Bulk Fermi arcs in heavy fermion systems” New Trends in Topological Insulators (NTTI 2018) and 18th International Conference on Narrow Gap Systems (NGS-18) (Luxembourg, July 16-19, 2018)
Nagai Yuki, Ota Yukihiro, Tanaka Kaori “Time-reversal and/or translational symmetry breaking in d-wave nano-superconductors” 12th International Conference on Materials and Mechanisms of Superconductivity (M2S 2018) (Beijing, China, August 19-24, 2018)
Nagai Yuki, Okumura Masahiko, Tanaka Akinori “Self-learning Monte Carlo method with neural networks inspired by machine-learning molecular dynamics” Mini-workshop on Machine Learning in Physics (Tokyo, Japan, September 13 2018)
Nakamura Hiroki, Machida Masahiko “A First-principles study on the mechanical properties of (Th,Pu)O₂” Nuclear Materials Conference 2018 (NuMat 2018) (Seattle, U.S.A, October 14-18 2018)
Yamaguchi Masatake “Combined analysis of first-principles calculations and fracture mechanics experiments on intergranular embrittlement of a Ni-Cr steel” Nuclear Materials Conference 2018 (NuMat 2018) (Seattle, U.S.A, October 14-18 2018)
Ebihara Kenichi, Suzudo Tomoaki, Yamaguchi Masatake “Simulation of irradiation-induced grain boundary phosphorus segregation by first-principles-based rate theory model including trapping and detrapping processes” Nuclear Materials Conference 2018 (NuMat 2018) (Seattle, U.S.A, October 14-18 2018)
Suzudo Tomoaki, Nagai Yasuyoshi, Toyama Takeshi, Takamizawa Hisashi, Nishiyama Yutaka, Caro A. “Atomistic modeling of hardening in thermally-aged Fe-Cr binary alloys” Nuclear Materials Conference 2018 (NuMat 2018) (Seattle, U.S.A, October 14-18 2018)
Itakura Mitsuhiro, Yamaguchi Masatake, Tsuru, Tomohito “First-principles calculation of interactions between edge/screw dislocations and carbon/nitrogen atoms in alpha iron” International Symposium on Atomistic Processes of Crystal Plasticity (APCP 2018) (Tokyo, Japan, October 25-27 2018)
Suzudo Tomoaki, Onitsuka Takashi, Fukumoto Kenichi “Scrutinizing screw dislocation glide initiation at finite temperature in BCC metals” 9th International Conference on Multiscale Materials Modeling (MMM 2018) (Osaka, Japan, October 28-November 2 2018)
Ebihara Kenichi, Suzudo, Tomoaki “Computational study of phosphorus migration to grain boundary in α-iron” 9th International Conference on Multiscale Materials Modeling (MMM 2018) (Osaka, Japan, October 28-November 2 2018)
Yamaguchi Masatake “Combined analysis of first-principles calculations and fracture mechanics experiments on intergranular embrittlement of a Ni-Cr steel” 9th International Conference on Multiscale Materials Modeling (MMM 2018) (Osaka, Japan, October 28-November 2 2018)
Suzudo Tomoaki “Computational study of solute effects in tungsten under irradiation” 14th International Workshop on Spallation Materials Technology (IWSMT-14) (Fukushima, Japan, November 11-17 2018)
Yamada Susumu, Onodera Naoyuki, Ina Takuya, Yamashita Susumu, Idomura Yasuhiro, Imamura Toshiyuki “Communication avoiding multigrid preconditioned conjugate gradient method for extreme scale multiphase CFD simulations” The 1st R-CCS International Symposium (Kobe, Japan, February 18-19, 2019)
Suzudo Tomoaki “Atomistic modeling study of fusion materials” Plasma Conference 2017 (PLASMA 2017) (Himeji, Japan, Nobemver 20-24, 2017)
Nagai Yuki, Qi Y., Isobe Hiroki, Kozii V., Fu L. “Bulk topological Fermi arcs in heavy fermion systems” American Physical Society March Meeting 2019 (Boston, U.S.A., March 4-8, 2019)

Research reports, technical reports and periodical articles

Suzuki Yoshio, Iigaki Kazuhiko “Error estimation in observed acceleration data toward V&V of a seismic simulation” JAEA-Data/Code 2018-009 (2018), 41p