List of Research Output | FY 2012

Papers, peer-reviewed conference proceedings etc.

【Computer Science Research and Development Office】

＜Research papers＞

Hiroko Nakamura Miyamura, Masatoshi Kureta, Mariko Segawa, Jun Kubo, Takafumi Saito, Yoshio Suzuki, Hiroshi Takemiya “Visualization of blurry images of liquid by multi-scale analysis” Visualization of Mechanical Processes(Internet), Vol.1, No.4 (2011)
Ken Uzawa and Tadashi Watanabe “Effect of turbulent dissipation on the dynamics of dam break flow” Journal of Power and Energy Systems(Internet), Vol.6, No.2, pp.229-240 (2012)
Yasuhiro Idomura “Accuracy of momentum transport calculations in full-f gyrokinetic simulations” Computational Science&Discovery, Vol.5, pp.014018_1-014018_12 (2012)

＜Peer-reviewed conference proceedings＞

Yoshio Suzuki, Hiroko Miyamura and Norihiro Nakajima “R&D of validity evaluation system for seismic simulation of entire nuclear plant” Proceedings of 20th International Conference on Nuclear Engineering and the ASME2012 Power Conference (ICONE-20 & POWER2012)(DVD-ROM)(2012)
Yoshio Suzuki, Yoshiyuki Hoshi, Kensaku Sakamoto, Norihiro Nakajima “R&D of a zooming analysis to verify a seismic simulation of an entire nuclear plant” Proceedings of 4th International Conference on Computational Methods (ICCM2012)(USB Flash Drive)(2012)
Noriyuki Kushida, Hiroshi Takemiya “Implementation of plasma stability code on a Cell cluster system for constant plasma monitoring” World Academy of Science, Engineering and Technology, Vol.64, pp.319-327 (2012)

【Simulation Technology Research and Development Office】

＜Research papers＞

Motoyuki Shiga and Hiroshi Fujisaki “A Quantum generalization of intrinsic reaction coordinate using path integral centroid coordinates” Journal of Chemical Physics, Vol.136, No.18, pp.184103_1-184103_11 (2012)
Mitsuhiro Itakura, Hideo Kaburaki and Masatake Yamaguchi “First-principles study on the mobility of screw dislocations in bcc iron” Acta Materialia, Vol.60, No.1, pp.3698-3710 (2012)
Hiroaki Ikeda, Michito Suzuki, Ryotaro Arita, Tetsuya Takimoto, Takasada Shibauchi and Yuji Matsuda “Emergent rank-5nematic order in URu₂Si₂” Nature Physics, Vol.8, No.7, pp.528-533 (2012)
Yuki Nagai, Noriyuki Nakai, and Masahiko Machida “Direct numerical demonstration of sign-preserving quasiparticle interference via an impurity inside a vortex core in an unconventional superconductor” Physical Review B, Vol.85, No.9, pp.092505_1-092505_4 (2012)
Yuki Nagai and Kazuhiko Kuroki “Q-scan analysis of the neutron scattering in iron-based superconductors” Physical Review B, Vol.85, No.13, pp.134521_1-134521_7 (2012)
Takehiro Yoshikawa, Shuichi Sugawara, Toshiyuki Takayanagi, Motoyuki Shiga, Masanori Tachikawa “Quantum tautomerization in porphycene and its isotopomers; Path-integral molecular dynamics simulations” Chemical Physics, Vol.394, No.1, pp.46-51 (2012)
Yuki Nagai, Hiroki Nakamura and Masahiko Machida “Rotational isotropy breaking as proof for spin-polarized cooper pair in topological superconductor Cu_xBi₂Se₃” Physical Review B, Vol.86, No.9, pp.094507_1-094507_5 (2012)
Yuki Nagai, Kaori Tanaka and Nobuhiko Hayashi “Quasiclassical numerical method for mesoscopic superconductors; Bound states in a circular d-wave island with a single vortex” Physical Review B, Vol.86, No.9, pp.094526_1-094526_9 (2012)
Hironobu Fujishima, Masahiko Okumura, Makoto Mine and Tetsu Yajima “Interference pattern formation between bound solitons and radiation in momentum space; Possible detection of radiation from bound solitons with Bose-Einstein condensate of neutral atoms” Journal of the Physical Society of Japan, Vol.81, No.10, pp.104003_1-104003_7 (2012)
Takatoshi Fujita, Shigenori Tanaka, Takayuki Fujiwara, Masaaki Kusa, Yuji Mochizuki, Motoyuki Shiga “Ab initio path integral Monte Carlo simulations for water trimer with electron correlation effects” Computational and Theoretical Chemistry, Vol.997, pp.7-13 (2012)
Takehiro Yoshikawa, Toshiyuki Takayanagi, Hajime Kimizuka, Motoyuki Shiga “Quantum-thermal crossover of hydrogen and tritium diffusion in α-iron” Journal of Physical Chemistry C, Vol.116, No.43, pp.23113-23119 (2012)
Keita Kobayashi, Masahiko Okumura, Yukihiro Ota, Susumu Yamada and Masahiko Machida “Nontrivial Haldane phase of an atomic two-component Fermi gas trapped in a 1D optical lattice” Physical Review Letters, Vol.109, No.23, pp.235302_1-235302_5 (2012)
Hiroki Nakamura, Masahiko Okumura and Masahiko Machida “First-principles calculation study of mechanism of cation adsorption selectivity of zeolites; A Guideline for effective removal of radioactive cesium” Journal of the Physical Society of Japan, Vol.82, No.2, pp.023801_1-023801_4 (2012)
Hisao Kobayashi, Shugo Ikeda, Yui Sakaguchi, Yoshitaka Yoda, Hiroki Nakamura and Masahiko Machida “Observation of a pressure-induced As-As hybridization associated with a change in the electronic state of Fe in the tetragonal phase of EuFe₂As₂” Journal of Physics; Condensed Matter, Vol.25, No.2, pp.022201_1-022201_6 (2013)
Masahiko Okumura, Hiroki Nakamura and Masahiko Machida “Mechanism of strong affinity of clay minerals to radioactive cesium; First-principles calculation study for adsorption of cesium at frayed edge sites in muscovite” Journal of the Physical Society of Japan, Vol.82, No.3, pp.033802_1-033802_5 (2013)
Hiroki NAKAMURA, Masahiko MACHIDA and Masato KATO “LDA+U study on plutonium dioxide with spin-orbit couplings” Progress in Nuclear Science and Technology(Internet), Vol.2, pp.16-19 (2011)
Masatake Yamaguchi, Jun Kameda, Ken-Ichi Ebihara, Mitsuhiro Itakura and Hideo Kaburaki “Mobile effect of hydrogen on intergranular decohesion of iron; First-principles calculations” Philosophical Magazine, Vol.92, No.11, pp.1349-1368 (2012)

＜Peer-reviewed conference proceedings＞

Yukihiro Ota, Masahiko Machida, Tomio Koyama “Theory of phase dynamics in intrinsic Josephson junctions with multigap superconducting layers” Physica C, Vol.471, No.21-22, pp.760-762 (2011)
Masahiko Machida and Hiroki Nakamura “Low-magnetic moment and strong anisotropy in non-doped iron-based superconductors” Physica C, Vol.471, No.21-22, pp.659-661 (2011)
Masahiko Machida and Hiroki Nakamura “Orbital ordering in low-moment ground-state of parent compounds in iron-based superconductors” Journal of the Physical Society of Japan, Vol.80, Suppl.B, pp.SB022_1-SB022_4 (2011)
Yuki Nagai, Yukihiro Ota, Masahiko Machida “Spectral-density polynomial expansion for two-particle Green's function in BdG framework” Physics Procedia, Vol.27, pp.72-75 (2012)
Yuki Nagai, Hiroki Nakamura and Masahiko Machida “Andreev bound-states of vortices and surfaces in topological superconductors” Journal of Physics; Conference Series, Vol.393, pp.012017_1-012017_8 (2012)
Masahiko Machida, Yukihiro Ota, Tomio Koyama and Hideki Matsumoto “Electromagnetic wave emission from intrinsic Josephson junction stacks; A Review of theory and simulation” Journal of Physics; Conference Series, Vol.393, pp.012013_1-012013_8 (2012)
Takehide Koyama, Ozaki Yutaka, Ko-ichi Ueda, Takeshi Mito, Takao Kohara, Takeshi Waki, Yoshikazu Tabata, Chishiro Michioka, Kazuyoshi Yoshimura, Michito Suzuki and Hiroyuki Nakamura “Observation of the partial Fermi surface quenching in the noncentrosymetric superconductor Mo₃Al₂C” Journal of the Physical Society of Japan, Vol.81, Suppl.B, pp.SB008_1-SB008_5 (2012)
Yoichi Higashi, Yuki Nagai, Masahiko Machida and Nobuhiko Hayashi “Phase-sensitive flux-flow resistivity in unconventional superconductors” Journal of Physics; Conference Series, Vol.400, No.2, pp.022025_1-022025_4 (2012)

Talks at international and Japanese conferences

【CCSE】

＜Talks＞

Norihiro Nakajima “Industrial innovation (monozukuri) with "K computer"” International Conference for High Performance Computing, Networking, Storage and Analysis (SC2012)

【Computer Science Research and Development Office】

＜Non peer-reviewed articles＞

Ken Uzawa “Effect of turbulence on nonlinear sloshing in a rectangular pool” Proceedings of 9th International Conference on Flow Dynamics (ICFD2012)(USB FlashDrive), pp.392-393 (2012)
P.E.B.Quinay, Tsuyoshi Ichimura, Muneo Hori, Akemi Nishida and Shinobu Yoshimura “An Integrated geologic-and engineering-length scale forward modeling for response estimation of nuclear power plant due to the rupture of a nearby fault” Proceedings of 15th World Conference on Earthquake Engineering (WCEE-15)(USB FlashDrive), pp.8 (2012)

＜Talks＞

Yoshio Suzuki, Ken Uzawa, Akemi Nishida and Norihiro Nakajima “R&D of three-dimensional vibration simulator for an entire nuclear plant” ASME 2012 Verification & Validation Symposium (Las Vegas, NV, USA, May 2-4, 2012)
Akiyuki Seki et.al “Development of Radioactive Databases and Contamination Map System” 13th International Congress of the International Radiation Protection Association (IRPA13) (Glasgow, Scotland, May 13-18, 2012)
Akemi Nishida “Wave Propagation Analysis of a Cooling Piping Structure of a Model Plant” ASME 2012 Pressure Vessel and Piping Conference (Toronto, Ontario, Canada July 18, 2012)
Y.Idomura, M.Nakata, S.Yamada, T.Imamuara, et.al “Comunication Overlap Techniques for Improved Strong Scaling of Gyrokinetic Eulerian Code Beyond 100k Cores on K-Computer” SC12 (Salt Lake City, Utah, USA, November 10-16, 2012)
Y.Idomura “Computational challenges in Peta-scale fusion plasma turbulence simulations” Conference on Computational Physics (CCP2012) (Kobe, Japan, Oct 15-18, 2012)
Y.Idomura “Convergence of momentum transport in 3rd order gyrokinetics” US-Japan Joint Institute for Fusion Theory Workshop on Neoclassical and Turbulent Flow Generation and Associated Transport (Kyoto, Japan, November, 2012)
Takuma Kawamura, Yasuhiro Idomura, Hiroko Miyamura, Hiroshi Takemiya “Remote Visualization for Large-scale Simulation using Particle-based Volume Rendering” SC12 (Salt Lake City, Utah, USA, November 10-16, 2012)
Takuma Kawamura, Yasuhiro Idomura “Particle-based volume rendering for large-scale simulation results on parallel computer” Vis Workshop (Kobe, Japan, October, 2012)
Seki et.al “Construction of the database and map systems on the distribution of radioactive material” Mini-Symposium in International Conference for High Performance Computing, Networking, Storageand Analysis (SC2012) (SaltLakeCity, Utah, USA, November 10-16, 2012)
Takuma Kawamura, Yasuhiro Idomura, Hiroko Miyamura, Hiroshi Takemiya “Acceleration of Particle Generation of Particle-based Volume Rendering for Client-Server Visualization System” The 3rd AICS International Symposium (Kobe, Japan, February 28-March 1, 2013)

【Simulation Technology Research and Development Office】

＜Talks＞

M.Itakura et.al “Development of an EAM Potential for Fe-Cr-Ni Alloys” 10th World Congress on Computational Mechanics (São Paulo, Brazil, July 8-13, 2012)
S.Yamada et.al “High performance Krylov subspace method for asymetric linear system on fusion plasma simulation code GT5D” 7th International Workshop on Parallel Matrix Algorithms and Applications (PMA2012) (London, UK, June 28-30, 2012)
Y.Nagai et.al “Andreev Bound-states in topological superconductors” M2S 2012 Materials and Mechanisms of Superconductivity (Washington D.C., USA, July 29–August 3, 2012)
S.Yamada et.al “Convergence property of Krylov subspace methods for asymetric linear system on fusion plasma simulation code GT5D” 31st JSST Annual Conference; International Conference on Simulation Technology (JSST2012) (Kobe, Japan, September 27-28)
H.Nakamura and M.Machida “A First-Principles Study on Heat Capacity of Plutonium Dioxides” Nuclear Materials Conference 2012 (NuMat2012)(Osaka, Japan, October 22-25, 2012)
S.Yamada et.al “Parallelization Scheme of Exact Diagonalization for Multi-band Hubbard Cluster Models” Mini-Symposium in International Conference for High Performance Computing, Networking, Storage and Analysis(SC2012)(Salt Lake City, USA, November 10-16, 2012)
H.Nakamura “Large-scale Computations for Materials Science; Nuclear Fuels and Environmental Radionuclides” Mini-Symposium in International Conference for High Performance Computing, Networking, Storage and Analysis(SC2012)(Salt Lake City, USA, November 10-16, 2012)
M.Itakura et.al “First-Priciples Study of the Prismatic Dislocation Motion in Mg” Materials Research Society 2012 Fall Meeting (Boston, USA, November 25-30, 2012)
H.Kaburaki et.al “A Molecular dynamics study on the fracture process of metals” Conference on Computational Physics(CCP2012) (Kobe, Japan, Oct.15-18, 2012)
H.Kaburaki “A Molecular dynamics study of thermal conductivity for the Lennard-Jones system in the harmonic and anharmonic approximation” 3rd workshop on computational and statistical physics(CSP-3) (Kyoto, Japan, Oct.19-20, 2012)
M.Itakura et.al “An Atomistic study on the interaction of hydrogen atoms and a screw dislocation in BCC iron” International Union of Materials Research Societies; International Conference on Electronic Materials 2012(IUMRS-ICEM2012) (Yokohama, Japan, Sep.23-28, 2012)
H.Kaburaki et.al “Dislocation motion on the prismatic plane in magnesium; Molecular dynamics simulations” Materials Research Society 2012 Fall Meeting (Boston, USA, November 25-30, 2012)
M.Yamaguchi et.al “First-principles study on the Grain Boundary Decohesion of Iron by Solute segregation:Temper and Hydrogen-Induced Embrittlement” NIMS Conference 2012 (Tsukuba, Japan, June 4-6, 2012)
K.Ebihara et.al “Simulation of Irradiation-induced Grain-boundary Phosphorus Segregation by First-principles-based Rate Theory Model including Vacancy Drag Effect” NuMat2012：the Nuclear Materials Conference (Osaka, Japan, October 22-25, 2012)
M.Yamaguchi et.al “First-principles calculations on the LPSO structure: gama-surface etc.” International Symposium on Long-Period Stacking Ordered Structure and Its Related Materials 2012 (Sapporo, Japan, October 1-3, 2012)
T.Suzudo et.al “Atomistic Modeling of He Embrittlement at Various Grain Boundaries of α-Fe” TMS Annual Meeting (SanAntonio, USA, March 3-7, 2013)
T.Suzudo et.al “A Kinetic Monte-Carlo Study of Self-Interstitial Atom Behavior near Edge Dislocation in a Metallic Crystal” TMS Annual Meeting 2013 (SanAntonio, USA, March 3-7, 2013)
M.Yamaguchi et.al “First-principles study on the intergranular decohesion in iron by solute segregation: temper and hydrogen-induced embrittlement” TMS Annual Meeting 2013 (San Antonio, USA, March 3-7, 2013)