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Journal Articles

A Numerical investigation on the heat transfer and turbulence production characteristics induced by a swirl spacer in a single-tube geometry under single-phase flow condition

Abe, Satoshi; Okagaki, Yuria; Satou, Akira; Shibamoto, Yasuteru

Annals of Nuclear Energy, 159, p.108321_1 - 108321_12, 2021/09

 Times Cited Count:0 Percentile:0.02(Nuclear Science & Technology)

Journal Articles

Practical tests of neutron transmission imaging with a superconducting kinetic-inductance sensor

Vu, TheDang; Shishido, Hiroaki*; Aizawa, Kazuya; Kojima, Kenji M*; Koyama, Tomio*; Oikawa, Kenichi; Harada, Masahide; Oku, Takayuki; Soyama, Kazuhiko; Miyajima, Shigeyuki*; et al.

Nuclear Instruments and Methods in Physics Research A, 1006, p.165411_1 - 165411_8, 2021/08

 Times Cited Count:0 Percentile:0.03(Instruments & Instrumentation)

Journal Articles

Self-learning hybrid Monte Carlo method for isothermal-isobaric ensemble; Application to liquid silica

Kobayashi, Keita; Nagai, Yuki; Itakura, Mitsuhiro; Shiga, Motoyuki

Journal of Chemical Physics, 155(3), p.034106_1 - 034106_9, 2021/07

 Times Cited Count:0 Percentile:0.01(Chemistry, Physical)

no abstracts in English

Journal Articles

Investigation of Cu diffusivity in Fe by a combination of atom probe experiments and kinetic Monte Carlo simulation

Zhao, C.*; Suzudo, Tomoaki; Toyama, Takeshi*; Nishitani, Shigeto*; Inoue, Koji*; Nagai, Yasuyoshi*

Materials Transactions, 62(7), p.929 - 934, 2021/07

 Times Cited Count:0 Percentile:0.01(Materials Science, Multidisciplinary)

We succeeded in measuring the diffusion coefficient of Cu in Fe in a low temperature range that had not been measured so far. Since the diffusion couple, which is a general method for measuring the diffusion coefficient, can be applied only at high temperature, atom probe tomography and Cu precipitation rate theory were used in this study. The estimated diffusion coefficient was found to be more reliable than that obtained in previous studies. Therefore, it is considered that the estimation by the atom probe provided higher accuracy. Furthermore, the kinetic Monte Carlo simulation revealed that the diffusion coefficient estimated by this method tends to be slightly overestimated as the temperature decreases.

Journal Articles

Inclination of self-interstitial dumbbells in molybdenum and tungsten; A First-principles study

Suzudo, Tomoaki; Tsuru, Tomohito

AIP Advances (Internet), 11(6), p.065012_1 - 065012_7, 2021/06

In the current study, we analyzed the self-interstitial atoms (SIAs) in BCC molybdenum (Mo) and tungsten (W) in comparison with other BCC transition metals utilizing first-principles method; particularly, we focused on uncommon dumbbells, whose direction are inclined from $$<$$111$$>$$ toward $$<$$110$$>$$ on the {110} plane. Such a direction is not stable neither in the group 5 BCC metals (i.e., vanadium, niobium, and tantalum) nor in $$alpha$$-iron. Our first-principles relaxation simulations indicated that inclined dumbbells were more energetically-favored than common $$<$$111$$>$$ dumbbells in Mo, while this is not necessarily the case for W. However, under a certain degree of lattice strain, such as shear or expansive strain, could make inclined dumbbells more favored also in W, suggesting that the lattice strain can substantially influence the migration barrier of SIAs in these metals because inclined dumbbells generally have a larger migration barrier than $$<$$111$$>$$ dumbbells.

Journal Articles

Neoclassical transport simulations with an improved model collision operator

Matsuoka, Seikichi*; Sugama, Hideo*; Idomura, Yasuhiro

Physics of Plasmas, 28(6), p.064501_1 - 064501_5, 2021/06

 Times Cited Count:0

The improved model collision operator proposed by Sugama et al., which can recover the friction-flow relation of the linearized Landau collision operator, is newly implemented in a global full- f gyrokinetic simulation code, GT5D, and collisional transport simulations of a single ion species plasma in a tokamak are performed over the wide collisionality regime. The improved operator is verified to reproduce the theoretical collisional thermal diffusivity precisely in the high collisionality regime, where the friction-flow relation of higher accuracy is required than in the lower collisional regime. In addition, it is found in all collisionality regimes that the higher accuracy of the collisional thermal diffusivity and the parallel flow coefficient is obtained by the improved operator, demonstrating that collisional processes described by the linearized Landau collision operator is correctly retained.

Journal Articles

Real-time tracer dispersion simulations in Oklahoma City using the locally mesh-refined lattice Boltzmann method

Onodera, Naoyuki; Idomura, Yasuhiro; Hasegawa, Yuta; Nakayama, Hiromasa; Shimokawabe, Takashi*; Aoki, Takayuki*

Boundary-Layer Meteorology, 179(2), p.187 - 208, 2021/05

 Times Cited Count:2 Percentile:89.67(Meteorology & Atmospheric Sciences)

A plume dispersion simulation code named CityLBM enables a real time simulation for ~several km by applying adaptive mesh refinement (AMR) method on GPU supercomputers. We assess plume dispersion problems in the complex urban environment of Oklahoma City (JU2003). Realistic mesoscale wind boundary conditions of JU2003 produced by a Weather Research and Forecasting Model (WRF), building structures, and a plant canopy model are introduced to CityLBM. Ensemble calculations are performed to reduce turbulence uncertainties. The statistics of the plume dispersion field, mean and max concentrations show that ensemble calculations improve the accuracy of the estimation, and the ensemble-averaged concentration values in the simulations over 4 km areas with 2-m resolution satisfied factor 2 agreements for 70% of 24 target measurement points and periods in JU2003.

Journal Articles

Improved domain partitioning on tree-based mesh-refined lattice Boltzmann method

Hasegawa, Yuta; Aoki, Takayuki*; Kobayashi, Hiromichi*; Idomura, Yasuhiro; Onodera, Naoyuki

Keisan Kogaku Koenkai Rombunshu (CD-ROM), 26, 6 Pages, 2021/05

We introduce an improved domain partitioning method called "tree cutting approach" for the aerodynamics simulation code based on the lattice Boltzmann method (LBM) with the forest-of-octrees-based local mesh refinement (LMR). The conventional domain partitioning algorithm based on the space-filling curve (SFC), which is widely used in LMR, caused a costly halo data communication which became a bottleneck of our aerodynamics simulation on the GPU-based supercomputers. Our tree cutting approach adopts a hybrid domain partitioning with the coarse structured block decomposition and the SFC partitioning in each block. This hybrid approach improved the locality and the topology of the partitioned sub-domains and reduced the amount of the halo communication to one-third of the original SFC approach. The code achieved $$times 1.23$$ speedup on 8 GPUs, and achieved $$times 1.82$$ speedup at the performance of 2207 MLUPS (mega-lattice update per second) on 128 GPUs with strong scaling test.

Journal Articles

Acceleration of locally mesh allocated Poisson solver using mixed precision

Onodera, Naoyuki; Idomura, Yasuhiro; Hasegawa, Yuta; Shimokawabe, Takashi*; Aoki, Takayuki*

Keisan Kogaku Koenkai Rombunshu (CD-ROM), 26, 3 Pages, 2021/05

We develop a mixed-precision preconditioner for the pressure Poisson equation in a two-phase flow CFD code JUPITER-AMR. The multi-grid (MG) preconditioner is constructed based on the geometric MG method with a three- stage V-cycle, and a cache-reuse SOR (CR-SOR) method at each stage. The numerical experiments are conducted for two-phase flows in a fuel bundle of a nuclear reactor. The MG-CG solver in single-precision shows the same convergence histories as double-precision, which is about 75% of the computational time in double-precision. In the strong scaling test, the MG-CG solver in single-precision is accelerated by 1.88 times between 32 and 96 GPUs.

Journal Articles

Computational study of solute effects in tungsten under irradiation

Suzudo, Tomoaki

Materials Science Forum, 1024, p.87 - 94, 2021/03

Tungsten (W) is suitable for solid targets of spallation neutron source due to its high neutron yield. The prediction of radiation effects of W is, therefore, of importance; especially, the influence of solute elements are complex and are not clearly known to date. We discuss here the solute effects using the first principles and kinetic Monte Carlo calculations and show that rhenium (Re) and osmium (Os), which are nuclear transmutation products of W, can largely change the stability and mobility of radiation defects. Such influences of the solute elements seem to explain the unsolved mechanism of the microstructural evolution of W-based materials under irradiation.

Journal Articles

Three-dimensional modeling for deformation and movement of siltfence in water; Coupled simulation of water flow and siltfence

Yamada, Susumu; Machida, Masahiko; Tanaka, Minori*; Seki, Katsumi*; Arikawa, Taro*

Nihon Oyo Suri Gakkai Rombunshi, 31(1), p.20 - 43, 2021/03

no abstracts in English

JAEA Reports

Summaries of research and development activities by using supercomputer system of JAEA in FY2019 (April 1, 2019 - March 31, 2020)

HPC Technology Promotion Office

JAEA-Review 2020-021, 215 Pages, 2021/02

JAEA-Review-2020-021.pdf:13.11MB

Japan Atomic Energy Agency (JAEA) conducts research and development (R&D) in various fields related to nuclear power as a comprehensive institution of nuclear energy R&Ds, and utilizes computational science and technology in many activities. As shown in the fact that about 20 percent of papers published by JAEA are concerned with R&D using computational science, the supercomputer system of JAEA has become an important infrastructure to support computational science and technology. In FY2019, the system was used for R&D aiming to restore Fukushima (environmental recovery and nuclear installation decommissioning) as a priority issue, as well as for JAEA's major projects such as research and development of fast reactor cycle technology, research for safety improvement in the field of nuclear energy, and basic nuclear science and engineering research. This report presents a great number of R&D results accomplished by using the system in FY2019, as well as user support, operational records and overviews of the system, and so on.

Journal Articles

Machine learning potentials for tobermorite minerals

Kobayashi, Keita; Nakamura, Hiroki; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Okumura, Masahiko

Computational Materials Science, 188, p.110173_1 - 110173_14, 2021/02

 Times Cited Count:0 Percentile:0(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

Density functional theory study of solute cluster growth processes in Mg-Y-Zn LPSO alloys

Itakura, Mitsuhiro; Yamaguchi, Masatake; Egusa, Daisuke*; Abe, Eiji*

Acta Materialia, 203, p.116491_1 - 116491_9, 2021/01

 Times Cited Count:1 Percentile:73.72(Materials Science, Multidisciplinary)

Solute cluster in LPSO alloys plays a key role in their idiosyncratic plastic behavior such as kink formation and kink strengthening. Identifying the atomistic details of the cluster structure is a prerequisite for any atomistic modeling of LPSO alloys aiming for their improved strength and ductility, but there have been uncertainty about interstitial atom in the cluster. While density functional theory calculations have shown that inclusion of interstitial atom is energetically favorable, it has been unclear how the extra atom is provided, how much of the cluster have interstitial atoms, and what kind of element they are. In the present work we use density functional theory calculations to investigate the growth process of the solute cluster, specifically that of Mg-Y-Zn LPSO alloy, to determine the precise atomistic structure of solute cluster. We show that a pair of an interstitial atom and a vacancy is spontaneously created when a certain number of solute atoms are absorbed into the cluster, and all the full-grown cluster should include interstitial atom. We also show that interstitial atom is either Mg or Y atom, while Zn interstitial atom is extremely rare. These knowledge greatly simplifies atomistic modeling of solute clusters in Mg-Y-Zn alloy. Owing to the vacancies emitted from the cluster, vacancy density should be over-saturated in regions where solute clusters are growing, and the increased vacancy density accelerates cluster growth.

Journal Articles

Calculations for ambient dose equivalent rates in nine forests in eastern Japan from $$^{134}$$Cs and $$^{137}$$Cs radioactivity measurements

Malins, A.; Imamura, Naohiro*; Niizato, Tadafumi; Takahashi, Junko*; Kim, M.; Sakuma, Kazuyuki; Shinomiya, Yoshiki*; Miura, Satoru*; Machida, Masahiko

Journal of Environmental Radioactivity, 226, p.106456_1 - 106456_12, 2021/01

 Times Cited Count:0 Percentile:0(Environmental Sciences)

Journal Articles

Sparse modeling of large-scale quantum impurity models with low symmetries

Shinaoka, Hiroshi*; Nagai, Yuki

Physical Review B, 103(4), p.045120_1 - 045120_8, 2021/01

 Times Cited Count:0 Percentile:0(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

GPU acceleration of multigrid preconditioned conjugate gradient solver on block-structured Cartesian grid

Onodera, Naoyuki; Idomura, Yasuhiro; Hasegawa, Yuta; Yamashita, Susumu; Shimokawabe, Takashi*; Aoki, Takayuki*

Proceedings of International Conference on High Performance Computing in Asia-Pacific Region (HPC Asia 2021) (Internet), p.120 - 128, 2021/01

 Times Cited Count:0 Percentile:0.01

We develop a multigrid preconditioned conjugate gradient (MG-CG) solver for the pressure Poisson equation in a two-phase flow CFD code JUPITER. The MG preconditioner is constructed based on the geometric MG method with a three-stage V-cycle, and a RB-SOR smoother and its variant with cache-reuse optimization (CR-SOR) are applied at each stage. The numerical experiments are conducted for two-phase flows in a fuel bundle of a nuclear reactor. The MG-CG solvers with the RB-SOR and CR-SOR smoothers reduce the number of iterations to less than 15% and 9% of the original preconditioned CG method, leading to 3.1- and 5.9-times speedups, respectively. The obtained performance indicates that the MG-CG solver designed for the block-structured grid is highly efficient and enables large-scale simulations of two-phase flows on GPU based supercomputers.

Journal Articles

Homogeneity of neutron transmission imaging over a large sensitive area with a four-channel superconducting detector

Vu, TheDang; Shishido, Hiroaki*; Kojima, Kenji M*; Koyama, Tomio*; Oikawa, Kenichi; Harada, Masahide; Miyajima, Shigeyuki*; Oku, Takayuki; Soyama, Kazuhiko; Aizawa, Kazuya; et al.

Superconductor Science and Technology, 34(1), p.015010_1 - 015010_10, 2021/01

 Times Cited Count:1 Percentile:74.69(Physics, Applied)

JAEA Reports

Review of research on advanced computational science in FY2019

Center for Computational Science & e-Systems

JAEA-Evaluation 2020-002, 37 Pages, 2020/12

JAEA-Evaluation-2020-002.pdf:1.59MB

Research on advanced computational science for nuclear applications, based on "the plan to achieve the mid and long term goal of the Japan Atomic Energy Agency", has been performed at Center for Computational Science & e-Systems (CCSE), Japan Atomic Energy Agency. CCSE established a committee consisting of outside experts and authorities which does research evaluation and advice for the assistance of the future research and development. This report summarizes the results of the R&D performed at CCSE in FY2019 (April 1st, 2019 - March 31st, 2020) and the evaluation by the committee on them.

Journal Articles

Plume dispersion simulation based on ensemble simulation with lattice Boltzmann method

Hasegawa, Yuta; Onodera, Naoyuki; Idomura, Yasuhiro

Dai-34-Kai Suchi Ryutai Rikigaku Shimpojiumu Koen Rombunshu (Internet), 3 Pages, 2020/12

We developed a real-time ensemble simulation code for analyzing urban wind conditions and plume dispersion using a locally mesh-refined lattice Boltzmann method. We validated the developed code against the wind tunnel experiment by AIST, and against the field experiment JU2003 in Oklahoma City. In the case of the wind tunnel experiment, the wind condition showed a good agreement with the experiment, and 61.2% of the tracer gas concentration data observed on the ground satisfied the FACTOR2 condition, that is an accuracy criterion given by the environmental assessment guideline. In the case of the field experiment JU2003, the instantaneous wind speed showed a good agreement with the experiment, while the wind direction showed a difference up to 100$$^{circ}$$. The means of the tracer gas concentration satisfied the FACTOR2 condition at all observation interval. These results demonstrate that the developed code is accurate enough for the environmental assessment.

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