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Journal Articles

Spectrum prediction in X-ray fluorescence analysis using Bayesian estimation

Matsuyama, Tsugufumi*; Nakae, Masanori*; Murakami, Masashi; Yoshida, Yukihiko; Machida, Masahiko; Tsuji, Koichi*

Spectrochimica Acta, Part B, 199, p.106593_1 - 106593_6, 2023/01

 Times Cited Count:0

Journal Articles

Correlations for the specific heat capacity of (U$$_x$$Pu$$_{1-x}$$)$$_{1-y}$$Gd$$_y$$O$$_{2-z}$$ derived from molecular dynamics

Galvin, C. O. T.*; Machida, Masahiko; Nakamura, Hiroki; Andersson, D. A.*; Cooper, M. W. D.*

Journal of Nuclear Materials, 572, p.154028_1 - 154028_8, 2022/12

UO$$_2$$ is the primary conventional fuel used in most nuclear reactors with Gd$$_2$$O$$_3$$ commonly added as a burnable absorber to produce a more level power distribution in the reactor core at the beginning of operation. It can also be mixed with other actinide oxides to produce mixed oxide (MOx) fuel. In this study, molecular dynamics simulations were used to predict the specific heat capacity of Gd-doped PuO$$_2$$, UO$$_2$$ and (U,Pu)O$$_2$$ MOx accommodating Gd$$^{3+}$$ substituted at cation sites via two charge compensation mechanisms - oxygen vacancy formation and the oxidation of U$$^{4+}$$ to U$$^{5+}$$. The specific heat capacity values for PuO$$_2$$ and UO$$_2$$ are in good agreement with other studies showing a distinct peak at high temperatures - above 1800 K. As Gd$$^{3+}$$ is added, the peak height reduces for each composition considered. An analytical fit was applied to the data where Gd$$^{3+}$$ was fully charge compensated by either oxygen vacancies or U$$^{5+}$$. The expression was then validated by predicting the specific heat capacity for three compositions of (U$$_x$$Pu$$_{1-x}$$)$$_{1-y}$$Gd$$_y$$O$$_{2-z}$$ containing both oxygen vacancies and U$$^{5+}$$, and compared to molecular dynamics data.

Journal Articles

Materials science and fuel technologies of uranium and plutonium mixed oxide

Kato, Masato; Machida, Masahiko; Hirooka, Shun; Nakamichi, Shinya; Ikusawa, Yoshihisa; Nakamura, Hiroki; Kobayashi, Keita; Ozawa, Takayuki; Maeda, Koji; Sasaki, Shinji; et al.

Materials Science and Fuel Technologies of Uranium and Plutonium mixed Oxide, 171 Pages, 2022/10

Innovative and advanced nuclear reactors using plutonium fuel has been developed in each country. In order to develop a new nuclear fuel, irradiation tests are indispensable, and it is necessary to demonstrate the performance and safety of nuclear fuels. If we can develop a technology that accurately simulates irradiation behavior as a technology that complements the irradiation test, the cost, time, and labor involved in nuclear fuel research and development will be greatly reduced. And safety and reliability can be significantly improved through simulation of nuclear fuel irradiation behavior. In order to evaluate the performance of nuclear fuel, it is necessary to know the physical and chemical properties of the fuel at high temperatures. And it is indispensable to develop a behavior model that describes various phenomena that occur during irradiation. In previous research and development, empirical methods with fitting parameters have been used in many parts of model development. However, empirical techniques can give very different results in areas where there is no data. Therefore, the purpose of this study is to construct a scientific descriptive model that can extrapolate the basic characteristics of fuel to the composition and temperature, and to develop an irradiation behavior analysis code to which the model is applied.

Journal Articles

Accumulation mechanisms of radiocaesium within lichen thallus tissues determined by means of ${it in situ}$ microscale localisation observation

Dohi, Terumi; Iijima, Kazuki; Machida, Masahiko; Suno, Hiroya*; Omura, Yoshihito*; Fujiwara, Kenso; Kimura, Shigeru*; Kanno, Futoshi*

PLOS ONE (Internet), 17(7), p.e0271035_1 - e0271035_21, 2022/07

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

Journal Articles

Machine learning molecular dynamics simulations toward exploration of high-temperature properties of nuclear fuel materials; Case study of thorium dioxide

Kobayashi, Keita; Okumura, Masahiko; Nakamura, Hiroki; Itakura, Mitsuhiro; Machida, Masahiko; Cooper, M. W. D.*

Scientific Reports (Internet), 12(1), p.9808_1 - 9808_11, 2022/06

 Times Cited Count:1 Percentile:56.41(Multidisciplinary Sciences)

no abstracts in English

Journal Articles

Defect equilibria and thermophysical properties of CeO$$_{2-x}$$ based on experimental data and density functional theory calculation result

Watanabe, Masashi; Nakamura, Hiroki; Suzuki, Kiichi; Machida, Masahiko; Kato, Masato

Journal of the American Ceramic Society, 105(3), p.2248 - 2257, 2022/03

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

Properties of CeO$$_{2}$$ were evaluated by DFT simulation to determine band gap, Frenkel defect formation energy and defect migration energy. Band gap and Frenkel defect formation energy were used to analyze defect equilibria. Oxygen partial pressure dependence of defect equilibria was evaluated based on oxygen potential experimental data and DFT calculation, and a Brouwer diagram was derived. The defect formation energies, including Frenkel defect, electron-hole pair and so on, were determined and used to evaluate the properties, including oxygen diffusion coefficients, electrical conduction, heat capacity and thermal conductivity. Mechanisms of various properties were discussed for a deeper understanding based on defect chemistry, and the relationship among properties were systematically described.

Journal Articles

Estimation of temporal variation of discharged tritium from port of Fukushima Dai-ichi Nuclear Power Plant; Analysis of the temporal variation and comparison with released tritium from Japan and major nuclear facilities worldwide

Machida, Masahiko; Iwata, Ayako; Yamada, Susumu; Otosaka, Shigeyoshi*; Kobayashi, Takuya; Funasaka, Hideyuki*; Morita, Takami*

Nihon Genshiryoku Gakkai Wabun Rombunshi, 21(1), p.33 - 49, 2022/03

We estimate monthly discharge inventory of tritium from the port of Fukushima Daiichi Nuclear Power Plant (1F) from Jun 2013 to Mar 2020 by using the Voronoi tessellation scheme, following that the tritium monitoring inside the port has started since Jun 2013. As for the missing period from the initial month, Apr 2011 to May 2013, we calculate it by utilizing the concentration ratio of tritium to that of $$^{137}$$Cs in stagnant contaminant water during the initial direct discharged period to Jun 2011 and the discharge inventory correlation between tritium and $$^{137}$$Cs for the next-unknown continuously-discharged period up to May 2013. From the all- estimated results over 9 years, we find that the monthly discharge inventory sharply dropped just after closing the sea-side impermeable sea-wall in Oct. 2015 and subsequently coincided well with the sum of those of drainage and subdrain. By comparing the estimated results with those in the normal operation period before the accident, we point out that the discharge inventory from 1F port is not so large compared to those during the normal operation. Even the estimated one in year 2011 is found to be comparable to the maximum of operating pressurized water reactors discharging relatively large inventory in the order. In the nation level, the whole Japan domestic discharge inventory significantly decreased after the accident due to operation shutdown of most plants. Furthermore, 1F and even Japanese total discharge inventory are found to be entirely minor when comparing those of nuclear reprocessing plants and heavy-water reactors in world-wide level. From the above, we suggest that various scenarios can be openly discussed on the management in tritium stored inside 1F with help of the present estimated data and its comparison with the past discharge inventory.

Journal Articles

Development and evaluation of XRF imaging instrument for moving objects

Fuchita, Tomoki*; Urata, Taisei*; Matsuyama, Tsugufumi*; Murakami, Masashi; Yoshida, Yukihiko; Ueda, Akihiko; Machida, Masahiko; Sasaki, Toshiki; Tsuji, Koichi*

X-sen Bunseki No Shimpo, 53, p.77 - 87, 2022/03

X-ray fluorescence (XRF) analysis is an analytical method to obtain elemental information by detecting fluorescence X-rays emitted from a sample irradiated with X-rays. It is possible to obtain two-dimensional elemental distribution images by scanning a sample with micro X-ray beam. In this study, we developed an XRF analytical instrument to rapidly obtain the elemental distributions for moving samples on a belt conveyor by applying the micro XRF technique. X-rays were widely irradiated to the belt conveyor. The elemental distributions were measured by scanning an X-ray detector, crossing above the belt conveyor. A collimator was attached to the top of the detector to limit the analyzing area. Both detection limit and spatial resolutions for moving directions of the detector and the belt conveyor were evaluated. Finally, it was demonstrated that the multi-elemental imaging was possible with the developed XRF instrument.

Journal Articles

A Modeling approach to estimate $$^{3}$$H discharge from rivers; Comparison of discharge from the Fukushima Dai-ichi and inventory in seawater in the Fukushima coastal region

Sakuma, Kazuyuki; Machida, Masahiko; Kurikami, Hiroshi; Iwata, Ayako; Yamada, Susumu; Iijima, Kazuki

Science of the Total Environment, 806(3), p.151344_1 - 151344_8, 2022/02

 Times Cited Count:1 Percentile:14.15(Environmental Sciences)

Journal Articles

Estimation of temporal variation of tritium inventory discharged from the port of Fukushima Dai-ichi Nuclear Power Plant; Analysis of the temporal variation and comparison with released tritium inventories from Japan and world major nuclear facilities

Machida, Masahiko; Iwata, Ayako; Yamada, Susumu; Otosaka, Shigeyoshi*; Kobayashi, Takuya; Funasaka, Hideyuki*; Morita, Takami*

Journal of Nuclear Science and Technology, 19 Pages, 2022/00

 Times Cited Count:0 Percentile:0.01(Nuclear Science & Technology)

We estimate monthly discharge inventory of tritium from the port of Fukushima Dai-ichi Nuclear Power Plant (1F) from Jun. 2013 to Mar. 2020 using the Voronoi tessellation scheme, following the tritium monitoring results inside the port started in Jun. 2013. As for the missing period from the first month of 1F accident, Apr. 2011 to May 2013, we calculate the tritium discharge inventory by utilizing the concentration ratio of tritium to $$^{137}$$Cs in stagnant contaminant water during the initial direct run-off period until Jun. 2011 and the discharge inventory correlation between tritium and $$^{137}$$Cs for the next-unknown continuous-discharge period from Jul. 2011 to May 2013. From all the estimated results over 9 years, we find that the monthly discharge inventory sharply dropped immediately after closing the seaside impermeable wall in Oct. 2015 and consequently coincided well with the sum of input inventories of drainage water and subdrain etc. purified water into the port. By comparing the above estimated results with those in the normal operation period before the accident, we point out that the discharge inventory from 1F port after the accident is not so large. Even the estimation value for the accident year 2011 is found to be comparable to the maximum of operating pressurized water reactors releasing relatively large inventories in the order. At the national level, the total domestic release inventory in Japan significantly decreased after the accident owing to the operational shutdown of most plants. Furthermore, the total Japanese discharge inventory including 1F are found to be minor compared with those of nuclear reprocessing plants and heavy-water reactors on a worldwide level. From the above results, we suggest that various scenarios can be openly discussed regarding the management of tritium stored inside 1F with the help of the present estimated data and its comparison with the past discharge inventory as well as those of other nuclear facilities.

Journal Articles

High performance parallel LOBPCG method for large Hamiltonian derived from Hubbard model on multi-GPU systems

Yamada, Susumu; Imamura, Toshiyuki*; Machida, Masahiko

Supercomputing Frontiers, p.1 - 19, 2022/00

 Times Cited Count:0 Percentile:0

no abstracts in English

Journal Articles

Hydration structures of barium ions; ${it Ab initio}$ molecular dynamics simulations using the SCAN meta-GGA density functional and EXAFS spectroscopy studies

Yamaguchi, Akiko; Kobayashi, Keita; Takahashi, Yoshio*; Machida, Masahiko; Okumura, Masahiko

Chemical Physics Letters, 780, p.138945_1 - 138945_5, 2021/10

 Times Cited Count:4 Percentile:60.18(Chemistry, Physical)

no abstracts in English

Journal Articles

Atomistic origin of selective Cs accumulation in mushrooms; DFT analysis for alkali metal cation complexation selectivity of scissors-like pigments

Suno, Hiroya; Machida, Masahiko

ACS Food Science & Technology (Internet), 1(8), p.1381 - 1391, 2021/09

Generally, fungi accumulate radioactive Cs much more than higher plants. Particularly, some species of fungi have been well-known to selectively accumulate high amounts of radioactive Cs ($$^{134}$$Cs, $$^{137}$$Cs) released by nuclear accidents in their fruiting bodies compared with other species. This is a highly concerned issue in the contaminated forest areas, because consumption of mushrooms is one of the main routes of internal radiation for the residents in addition to consumption of other contaminated forest foods. So far, several investigations have focused on only one pigment molecule, norbadione A, observed mainly inside the mushroom caps, selectively complexing Cs cations, though there exist a huge variety of pigment molecules inside mushrooms. Here, we examine systematically which type of pigment molecules can selectively complex Cs cations, by using a state-of-the-art computational technique. We consequently find that a symmetric scissors-like structure, formed with two equivalent pulvinic acid moieties, is crucial for the Cs complexation selectivity, from comparative analysis among four scissors-like pigments. We thus predict that mushroom species including such symmetric scissors-like pigments can keep high Cs radioactivity.

Journal Articles

Present status and future perspective of R&D for 3D-ADRES (3-Dimensional Air Dose Rate Evaluation System); Evaluation scheme for air dose rate distributions in city and forest areas towards Fukushima's revitalization

Kim, M.; Malins, A.; Machida, Masahiko; Yoshimura, Kazuya; Saito, Kimiaki; Yoshida, Hiroko*; Yanagi, Hideaki*; Yoshida, Toru*; Hasegawa, Yukihiro*

RIST News, (67), p.3 - 15, 2021/09

no abstracts in English

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:0.02(Instruments & Instrumentation)

Journal Articles

Quantum chemical calculation studies toward microscopic understanding of retention mechanism of Cs radioisotopes and other alkali metals in lichens

Suno, Hiroya; Machida, Masahiko; Dohi, Terumi; Omura, Yoshihito*

Scientific Reports (Internet), 11(1), p.8228_1 - 8228_13, 2021/04

 Times Cited Count:5 Percentile:51.33(Multidisciplinary Sciences)

We evaluate stability of caesium (Cs) and other alkali-metal cation complexes of lichen metabolites in both gas and aqueous phases to discuss why lichens can retain radioactive Cs in the thalli over several years. We focus on oxalic acid, (+)-usnic acid, atranorin, lecanoric acid, and protocetraric acid, which are common metabolite substances in various lichens including, e.g., $textit{Flavoparmelia caperata}$ and $textit{Parmotrema tinctorum}$ retaining Cs in Fukushima, Japan. By performing quantum chemical calculations, their gas-phase complexation energies and aqueous-solution complexation free energies with alkali-metal cations are computed for their neutral and deprotonated cases. Consequently, all the molecules are found to energetically favor cation complexations and the preference order is Li$$^+>$$Na$$^+>$$K$$^+>$$Rb$$^+>$$Cs$$^+$$ for all conditions, indicating no specific Cs selectivity but strong binding with all alkali cations. Comparing complexation stabilities among these metabolites, lecanoric and protocetraric acids seen in medullary layer are found to keep higher affinity in their neutral case, while (+)-usnic acid and atranorin in upper cortex exhibit rather strong affinity only in deprotonated cases through forming stable six atoms' ring containing alkali cation chelated by two oxygens. These results suggest that the medullary layer can catch all alkali cations in a wide pH range around the physiological one, while the upper cortex can effectively block penetration of metal ions when the metal stress grows. Such insights highlight a physiological role of metabolites like blocking of metal-cation migrations into intracellular tissues, and explain long-term retention of alkali cations including Cs in lichens containing enough such metabolites to bind them.

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

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:10 Percentile:81.92(Materials Science, Multidisciplinary)

no abstracts in English

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:2 Percentile:28.48(Environmental Sciences)

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:3 Percentile:48.97(Physics, Applied)

701 (Records 1-20 displayed on this page)