List of Research Output | FY 2016

Papers, peer-reviewed conference proceedings etc.

【CCSE】

＜Peer-reviewed conference proceedings＞

Machida Masahiko, Okumura Masahiko, Nakamura Hiroki, Sakuramoto Kazuhiro “First-principles calculation studies on cesium in environmental situations; Hydration structures and adsorption on clay minerals” Proceedings of Joint International Conference on Mathematics and Computation, Supercomputing in Nuclear Applications and the Monte Carlo Method (M&C + SNA + MC 2015) (CD-ROM), 12pages (2015)

【Computer Science Research and Development Office】

＜Research papers＞

Seki Akiyuki, Saito Osamu, Nago Harutaka, Suzuki Kenta, Tomishima Katsuya, Saito Kimiaki, Takemiya Hiroshi “Development of a software platform for providing environmental monitoring data for the Fukushima Daiichi nuclear accident” Radiation Protection Dosimetry, Vol.164, No.1-2, pp.97-102 (2015)
Kawamura Takuma, Idomura Yasuhiro, Miyamura Hiroko, Takemiya Hiroshi “Algebraic design of multi-dimensional transfer function using transfer function synthesizer” Journal of Visualization, pp.1-12 (2016)
Suzuki Yoshio, Kawakami Yoshiaki, Nakajima Norihiro “Investigation of error estimation method of observational data and comparison method between numerical and observational results toward V&V of seismic simulation” Mechanical Engineering Reviews, Vol.4, No.1, pp.1-18 (2017)
Kanno Ryutaro, Nunami Masanori, Satake Shinsuke, Matsuoka Seikichi, Takamaru Hisanori “Development of a drift-kinetic simulation code for estimating collisional transport affected by RMPs and radial electric field” Contributions to Plasma Physics, pp.1-11 (2016)
Sugama Hideo, Matsuoka Seikichi, Satake Shinsuke, Kanno Ryutaro “Radially local approximation of the drift kinetic equation” Physics of Plasmas, pp.592-597 (2016)
Idomura Yasuhiro “A new hybrid kinetic electron model for full- f gyrokinetic simulations” Journal of Computational Physics, Vol. 313, pp.511-531 (2016)
Wu H.-Y., Takahashi Shigeo, Miyamura Hiroko, Ozahata Satoshi, Nakao Akihiro “Inferring partial orders of nodes for hierarchical network layout” Journal of Imaging Science and Technology, Vol.60, No.6, pp.060407_1-060407_13, (2016)

＜Peer-reviewed conference proceedings＞

Wu H.-Y., Takahashi Shigeo, Miyamura Hiroko, Ozahata Satoshi, Nakao Akihiro “Inferring partial orders of nodes for hierarchical network layout” Electronic Imaging, Vol.2017, No.1, pp.118-130, (2017)
Kawamura Takuma, Idomura Yasuhiro, Miyamura Hiroko, Takemiya Hiroshi “Hands-on seminar of remote visualization system PBVR” Proceedings of Siggraph Asia 2015 (2015)
Kawamura Takuma, Idomura Yasuhiro, Miyamura Hiroko, Takemiya Hiroshi “Multivariate volume rendering using transfer function synthesizer implemented in remote visualization system PBVR” ACM Digital Library (2015)
Choi B., Nishida Akemi, Nakajima Norihiro “A Parametric study for the seismic response analysis of a nuclear reactor building by using a three-dimensional finite element model” Proceedings of 24th International Conference on Nuclear Engineering (ICONE-24) (DVD-ROM), pp.1-7 (2016)
Choi B., Nishida Akemi, Itoi Tatsuya, Takada Tsuyoshi, Furuya Osamu, Muta Hitoshi, Muramatsu Ken “Reliability enhancement of seismic risk assessment of NPP as risk management fundamentals; Quantifying epistemic uncertainty in fragility assessment using expert opinions and sensitivity analysis” Proceedings of 13th Probabilistic Safety Assessment and Management Conference (PSAM-13) (USB Flash Drive), pp.1-8 (2016)
Kawamura Takuma, Noda Tomoyuki, Idomura Yasuhiro “In-situ visual exploration of multivariate volume data based on particle based volume rendering” Proceedings of International Conference on High Performance Computing, Networking, Storage, and Analysis (SC 2016), pp.18-22 (2016)
Mayumi Akie, Idomura Yasuhiro, Ina Takuya, Yamada Susumu, Imamura Toshiyuki “Left-preconditioned communication-avoiding conjugate gradient methods for multiphase CFD simulations on the K computer” Proceedings of International Conference on High Performance Computing, Networking, Storage, and Analysis (SC 2016), pp.17-24 (2016)
Matsuoka Seikichi, Satake Shinsuke, Idomura Yasuhiro, Imamura Toshiyuki “Quality and performance of a pseudo-random number generator in massively parallel plasma particle simulations” Proceedings of Joint International Conference on Mathematics and Computation, Supercomputing in Nuclear Applications and the Monte Carlo Method (M&C+SNA+MC 2015) (CD-ROM), 13 pages (2015)

【Simulation Technology Research and Development Office】

＜Research papers＞

Ruiz-Barragan S., Ishimura Kazuya, Shiga Motoyuki “On the hierarchical parallelization of ab initio simulations” Chemical Physics Letters, Vol.646, pp.130-135 (2016)
Minoshima Yusuke, Seki Yusuke, Takayanagi Toshiyuki, Shiga Motoyuki “Effects of temperature and isotopic substitution on electron attachment dynamics of guanine-cytosine base pair; Ring-polymer and classical molecular dynamics simulations” Chemical Physics, Vol.472, pp.1-8 (2016)
Nakamura Hiroki, Machida Masahiko “High-temperature properties of thorium dioxide; A First-principles molecular dynamics study” Journal of Nuclear Materials, Vol.478, pp.56-60 (2016)
Noguchi Yoshifumi, Hiyama Miyabi, Shiga Motoyuki, Sugino Osamu, Akiyama Hidefumi “Reverse stability of oxyluciferin isomers in aqueous solutions” Journal of Physical Chemistry B, Vol.120, No.34, pp.8776-8783 (2016)
Lammers L., Bourg I. C., Okumura Masahiko, Kolluri K., Sposito G., Machida Masahiko “Molecular dynamics simulations of cesium adsorption on illite nanoparticles” Journal of Colloid and Interface Science, Vol.490, pp.608-620 (2017)
Kerisit S., Okumura Masahiko, Rosso K. M., Machida Masahiko “Molecular simulation of cesium adsorption at the basal surface of phyllosilicate minerals” Clays and Clay Minerals, Vol.64, No.4, pp.389-400 (2016)
Ruiz-Barragan S., Ribas Ariño J., Shiga Motoyuki “The Reaction mechanism of polyalcohol dehydration in hot pressurized water” Physical Chemistry Chemical Physics, Vol.18, No.47, pp.32438-32447 (2016)
Sasa Narimasa, Yamada Susumu, Machida Masahiko, Imamura Toshiyuki “Accumulated error in iterative use of FFT” Nonlinear Theory and Its Applications, IEICE (Internet), Vol.7, No.3, pp.354-361 (2016)
Ebihara Kenichi, Suzudo Tomoaki, Yamaguchi Masatake “Modeling of Phosphorus Transport by Interstitial Dumbbell in α-Iron Using First-Principles-Based Kinetic Monte Carlo” Materials Transactions, Vol.58, No.1, pp.26-32 (2017)
Malins A., Kurikami Hiroshi, Kitamura Akihiro, Machida Masahiko “Effect of remediation parameters on in-air ambient dose equivalent rates when remediating open sites with radiocesium-contaminated soil” Health Physics, Vol.111, No.4, pp.357-366 (2016)
Higashi Yoichi, Nagai Yuki, Yoshida Tomohiro, Masaki Yusuke, Yanase Yoichi “Robust zero-energy bound states around a pair-density-wave vortex core in locally noncentrosymmetric superconductors” Physical Review B, Vol.93, No.10, pp.104529_1-104529_10 (2016)
Itakura Mitsuhiro, Kaburaki Hideo, Yamaguchi Masatake, Tsuru Tomohito “Novel cross-slip mechanism of pyramidal screw dislocations in magnesium” Physical Review Letters, Vol.116, No.22, pp.225501_1-225501_5 (2016)
Shitade Atsuo, Nagai Yuki “Orbital angular momentum in a topological superconductor with Chern number higher than 1” Physical Review B, Vol.93, No.17, pp.174517_1-174517_9 (2016)
Nagai Yuki, Nakamura Hiroki “Multi-band Eilenberger theory of superconductivity; Systematic low-energy projection” Journal of the Physical Society of Japan, Vol.85, No.7, pp.074707_1-074707_18 (2016)
Nagai Yuki, Hoshino Shintaro, Ota Yukihiro “Critical temperature enhancement of topological superconductors; A Dynamical mean-field study” Physical Review B, Vol.93, No.22, pp.220505_1-220505_5 (2016)
Smith E. D. B., Tanaka Kaori, Nagai Yuki “Manifestation of chirality in the vortex lattice in a two-dimensional topological superconductor” Physical Review B, Vol.94, No.6, pp.064515_1-064515_13 (2016)
Kim H., Lin S.-Z., Graf M., Miyata Yoshinori, Nagai Yuki, Kato Takeo, Hasegawa Yukio “Electrical conductivity through a single atomic step measured with the proximity-induced superconducting pair correlation” Physical Review Letters, Vol.117, No.11, pp.116802_1-116802_5 (2016)
Nagai Yuki, Ota Yukihiro “Nuclear magnetic relaxation rates of unconventional superconductivity in doped topological insulators” Physical Review B, Vol.94, No.13, pp.134516_1-134516_8 (2016)
Sassi M., Rosso K. M., Okumura Masahiko, Machida Masahiko “Radiation-damage resistance in phyllosilicate minerals from first principles and implications for radiocesium and strontium retention in soils” Clays and Clay Minerals, Vol.64, No.2, pp.108-114 (2016)
Kobayashi Keita, Okumura Masahiko, Yamada Susumu, Machida Masahiko, Aoki Hideo “Superconductivity in repulsively interacting fermions on a diamond chain; Flat-band-induced pairing” Physical Review B, Vol.94, No.21, pp.214501_1-214501_7 (2016)
Suzudo Tomoaki, Yamaguchi Masatake, Hasegawa Akira “Migration of rhenium and osmium interstitials in tungsten” Journal of Nuclear Materials, Vol.467, Part 1, pp.418-423 (2015)
Suzudo Tomoaki, Hasegawa Akira “Suppression of radiation-induced point defects by rhenium and osmium interstitials in tungsten” Scientific Reports (Internet), Vol.6, pp.36738_1-36738_6 (2016)
Nagai Yuki, Shinohara Yasushi, Futamura Yasunori, Sakurai Tetsuya “Reduced-shifted conjugate-gradient method for a Green's function; Efficient numerical approach in a nano-structured superconductor” Journal of the Physical Society of Japan, Vol.86, pp.014708_1-014708_9 (2017)
Ota Yukihiro, Ruiz-Barragan S., Machida Masahiko, Shiga Motoyuki “A Screened automated structural search with semiempirical methods” Chemical Physics Letters, Vol.648, pp.119-123 (2016)
Yonezawa Shingo, Tajiri Kengo, Nakata Suguru, Nagai Yuki, Wang Z., Segawa Koji, Ando Yoichi, Maeno Yoshiteru “Thermodynamic evidence for nematic superconductivity in Cu_xBi₂Se₃” Nature Physics, Advance Online Publication 10 October 2016 (*advance online publication articles have not yet been published in a journal issue)

＜Peer-reviewed conference proceedings＞

Malins A., Okumura Masahiko, Machida Masahiko, Takemiya Hiroshi, Saito Kimiaki “Fields of view for environmental radioactivity” Proceedings of International Symposium on Radiological Issues for Fukushima's Revitalized Future, pp.28-34 (2015)
Yamada Susumu, Imamura Toshiyuki, Machida Masahiko “High performance eigenvalue solver in exact-diagonalization method for Hubbard model on CUDA GPU” Parallel Computing: On the Road to Exascale; Advances in Parallel Computing, Vol.27, pp.361-369 (2016)

Talks at international and Japanese conferences

【CCSE】

＜Talks＞

Machida Masahiko, Nakamura Hiroki “First-principles molecular dynamics study of high-temperature properties of thorium dioxide” Nuclear Materials Conference 2016 (NuMat 2016), (Montpellier, France, November 7-10, 2016)

【Computer Science Research and Development Office】

＜Talks＞

Nishida Akemi, Choi B., Guo Z., Takada Tsuyoshi “Finite orbit width effect on the neoclassical toroidal viscosity in the superbanana-plateau regime” 7th Asia Pacific Transport Working Group International Conference (APTWG 2017), (Nagoya, Japan, June 5-8, 2017)
Idomura Yasuhiro “Development of gyrokinetic toroidal 5D full-f Eulerian code GT5D on Helios and K-computer” 5th IFERC-CSC Review Meeting, (Rokkasho, Japan, March, 2017)
Mayumi Akie, Idomura Yasuhiro, Ina Takuya, Yamada Susumu, Imamura Toshiyuki “Left-preconditioned communication avoiding CG solver for multiphase CFD code JUPITER” 7th AICS International Symposium, (Kobe, Japan, February 23-24, 2017)
Idomura Yasuhiro “Progress of full-f gyrokinetic simulations including kinetic electrons” 13th Asia Pacific Physics Conference and 22nd Australian Institute of Physics Congress, (Brisbane, Australia, December 4-8, 2016)
Asahi Yuichi, Latu G., Ina Takuya, Idomura Yasuhiro, Grandgirard V., Garbet X. “Acceleration of stencil-based fusion kernels” Accelerators for Fusion Workshop, (Saclay, France, November, 2016)
Idomura Yasuhiro “Full-f gyrokinetic simulations on rotation changes induced by electron heating modulation” 17th ITPA Transport and Confinement Topical Group Meeting, (Naka, Japan, October 24-27, 2016)
Matsuoka Seikichi, Idomura Yasuhiro, Satake Shinsuke “Global kinetic effect on the collisionality dependence of the neoclassical toroidal viscosity in the superbanana-plateau regime” 26th IAEA Fusion Energy Conference, (Kyoto, Japan, October 17–22, 2016)
Idomura Yasuhiro, Asahi Yuichi, Hayashi Nobuhiko, Urano Hajime “Full-f gyrokinetic simulation including kinetic electrons” 26th IAEA Fusion Energy Conference, (Kyoto, Japan, October 17–22, 2016)
Asahi Yuichi, Garbet X., Idomura Yasuhiro, Grandgirard V., Latu G., Sarazin Y., Dif-Pradalier G., Donnel P., Ehrlacher C., Passeron Ch. “Benchmarking of global full-f gyrokinetic codes”/p> NUMKIN 2016: International Workshop on Numerical Methods for Kinetic Equations, (Strasbourg, France, October 17–21, 2016)
Idomura Yasuhiro “Full-f gyrokinetic simulations on rotation changes induced by electron heating modulation” 21st EU-US Transport Task Force Meeting, (Leysin, Switzerland, September 5-8, 2016)
Matsuoka Seikichi, Idomura Yasuhiro “Full-f gyrokinetic simulations in three-dimensional plasma equilibrium” 21st EU-US Transport Task Force Meeting, (Leysin, Switzerland, September 5-8, 2016)
Idomura Yasuhiro “Progress of full-f gyrokinetic simulations including a new hybrid kinetic electron model” US-Japan Joint Institute for Fusion Theory Workshop on Innovations and co-designs of fusion simulations towards extreme scale computing, (Oak Ridge, US, August 16-20, 2016)

【Simulation Technology Research and Development Office】

＜Talks＞

Suzudo Tomoaki, Nagai Yasuyoshi, Alfredo Caro “Atomistic modeling of hardening in thermally-aged Fe-Cr binary alloys” TMS2017 146th Annual Meeting & Exhibition, (San Diego, USA, February 26 – March 2, 2017)
Ebihara Kenichi, Suzudo Tomoaki, Yamaguchi Masatake “Numerical Estimation of Phosphorus Transport for Different Migration Modes in α-iron” TMS2017 146th Annual Meeting & Exhibition, (San Diego, USA, February 26 – March 2, 2017)
Okumura Masahiko, Nakamura Hiroki, Machida Masahiko “Numerical studies of radiocesium adsorption to micaceous clay minerals; Basal surfaces, edges, frayed edges, and interlayer sites” REIMEI International Workshop; Radionuclides Remediation and Clean-Up, (Nantes, France, February 9-10, 2017)
Itakura Mitsuhiro, Okita Taira “First-Principles Calculation of Hydrogen Absorption to a Planar Vacancy Cluster in Zirconium” MRS 2016 fall meeting, (Boston, USA, November 27- December 2, 2016)
Okumura Masahiko, Nakamura Hiroki, Machida Masahiko, Shimoyama Iwao “Density functional theory study of cesium adsorption to micaceous clay minerals” 3rd Asian Clay Conference 2016 (ACC 2016), (Guangzhou, China, November 17-20, 2016)
Nakamura Hiroki, Machida Masahiko “A First-principles study on thermal conductivity of actinide dioxides” Nuclear Materials Conference 2016 (NuMat 2016), (Montpellier, France, November 7-10, 2016)
Shiga Motoyuki “A QM/MM method for open boundary systems” 4th International Conference on Molecular Simulation (ICMS 2016), (Shanghai, China, October23-26, 2016)
Shiga Motoyuki “Exploration of Rare Events Based on Ab Initio Simulations” 2016 International Workshop on Frontiers in Molecular Biophysics, (Shanghai, China, July 23-25, 2016)
Malins A., Kurikami Hiroshi, Nakama Shigeo, Machida Masahiko, Kitamura Akihiro “Open Sites with Radiocesium Contaminated Soil: Evaluating Dose Rates and Remediation Strategies” 61st Annual Health Physics Society Meeting, (Spokane, USA, July 17-21, 2016)
Okumura Masahiko, Nakamura Hiroki, Machida Masahiko “Numerical studies of effects of microscopic structure on affinity of clay minerals to cesium ion” Goldschmidt 2016, (Yokohama, Japan, June 26-July 1, 2016)
Malins A., Sakuma Kazuyuki, Nakanishi Takahiro, Machida Masahiko, Kitamura Akihiro “The Effect of 2015 Typhoon Etau on Radiation Dose Rates in River Basins Surrounding Fukushima Daiichi” Goldschmidt 2016, (Yokohama, Japan, June 26-July 1, 2016)
Suzudo Tomoaki, Tsuru Tomohito, Hasegawa Akira “Effect of Re and Os in W under irradiation: comparison between numerical and experimental results” MoD-PMI 2016, (Loughborough, United Kingdom, June 22-24 2016)
Hirota Yusuke, Yamada Susumu, Imamura Toshiyuki, Sasa Narimasa, Machida Masahiko “Performance of Quadruple Precision Eigenvalue Solver Libraries QPEigenK and QPEigenG on the K Computer” ISC High Performance Conference 2016 (ISC 2016) (Frankfurt, Germany, June 19-23, 2016)
Shiga Motoyuki “A Theoretical Study of Hexanediol Dehydration Reaction” 32nd Symposium on Chemical Kinetics and Dynamics,（Saitama, Japan, June 1-3, 2016）
Malins, A. “Calculating Dose Rates in Various Settings after the Fukushima Nuclear Disaster” Scottish Universities Environmental Research Centre Seminar Series, (East Kilbride, United Kingdom, May 3, 2016)
Yamada Susumu, Imamura Toshiyuki, Machida Masahiko “High performance eigenvalue solver for Hubbard model on CPU-GPU hybrid platform” 17th SIAM Conference on Parallel Processing for Scientific Computing (PP16), (Paris, France, April 12-15, 2016)
Yamada Susumu, Idomura Yasuhiro, Imamura Toshiyuki, Sasa Narimasa, Machida Masahiko “Quadrature Precision Basic Linear Algebra Subprograms with FMA Instruction” 17th SIAM Conference on Parallel Processing for Scientific Computing (PP16), (Paris, France, April 12-15, 2016)
Suzudo Tomoaki “Migration behaviors of rhenium and osmium interstitials in tungsten; Ab initio informed kinetic Monte Carlo study” 17th International Conference on Fusion Reactor Materials (ICFRM-17), (Aachen, Germany, October 11-16, 2015)