Absence of a polar phase in perovskite chromite CrO (=La and Pr)

Yoshii, Kenji; Ikeda, Naoshi*; Shimojo, Yutaka; Ishii, Yoshinobu*

Materials Chemistry and Physics, 190, p.96 - 101, 2017/04

https://doi.org/10.1016/j.matchemphys.2016.12.074

Magnetic and dielectric properties have been studied for LaCrO, PrCrO, and their solid solution LaPrCrO, belonging to a family of ferroelectricorthochromite series CrO (: rare earths). The magnetic measurements confirm that the material shows canted antiferromagnetic ordering at 240-288 K. Neutron diffraction patterns could be fitted with the centrosymmetric , which is different from the non-centrosymmetric structure proposed for the ferroelectric phase of NdCrO. The large dielectric constants are likely due to the hopping of charge carriers as proposed previously for other chromites.

Ionization of protoplanetary disks by galactic cosmic rays, solar protons, and supernova remnants

Kataoka, Ryuho*; Sato, Tatsuhiko

Geoscience Frontiers, 8(2), p.247 - 252, 2017/03

https://doi.org/10.1016/j.gsf.2016.06.010

Estimation of the depth-dose profile of ionization in protoplanetary disks by galactic cosmic rays (GCRs), solar protons, and by supernova remnants is of great importance in the analysis of planet formation. We therefore calculated the profile using Particle and Heavy Ion Transport code System PHITS. The attenuation length of GCR ionization is updated as 118 g cm, which is approximately 20% larger than the popular value. Hard and soft possible spectra of solar protons give 5% larger and 20% smaller attenuation lengths compared with those from standard GCR spectra, respectively. Further, all of the attenuation lengths become 10% larger in the compound gas of cosmic abundance, e.g. 128 g cm for GCRs, which can significantly affect the minimum estimate of the size of dead zones in protoplanetary disks.

Swelling pressure and leaching behaviors of synthetic bituminized waste products with various salt contents under a constant-volume condition

Irisawa, Keita; Meguro, Yoshihiro

Journal of Nuclear Science and Technology, 54(3), p.365 - 372, 2017/03

https://doi.org/10.1080/00223131.2016.1273143

Development of methods for recovering uranium from sludge-like uranium generated in decontamination of metal wastes

Ohashi, Yusuke; Tanaka, Yoshio; Tsunashima, Yasumichi; Ikeda, Yasuhisa*

Journal of Nuclear Science and Technology, 54(3), p.382 - 390, 2017/03

https://doi.org/10.1080/00223131.2016.1260065

Sludge-like uranium wastes (SUWs) have been generated with neutralization of acidic aqueous solutions used for decontamination of metal wastes containing a large amount of iron. We have examined the method for recovering uranium from such SUWs using -2-pyrrolidone (NCP) as a precipitate. As a result, it was found that precipitation ratios (PRs) of uranium in the solutions prepared by dissolving SUWs in HNO is 97.7% at [NCP]/[U(VI)] = 20, and that the PRs of iron, aluminum, fluorine, and sulfate species are less than 1%. This indicates that uranium species are precipitated selectively. The content ratios of U, Fe, Ca, F, and S in the materials after calcining precipitates obtained at [NCP]/[U(VI)] = 20 were in accordance with the conditions of uranium ore concentrate. From these results, it is expected that highly purified uranium can be efficiently recovered from SUWs by using NCP as the precipitant.

Thermodynamic evidence for nematic superconductivity in CuBiSe

Yonezawa, Shingo*; Tajiri, Kengo*; Nakata, Suguru*; Nagai, Yuki; Wang, Z.*; Segawa, Koji*; Ando, Yoichi*; Maeno, Yoshiteru*

Nature Physics, 13(2), p.123 - 126, 2017/02

https://doi.org/10.1038/nphys3907

no abstracts in English

Analysis of Cs, Cs and K in the certified reference material of Brown Rice by -ray spectrometry using a Ge detector, 2; Uncertainty evaluation

Yonezawa, Chushiro*; Shirono, Katsuhiro*; Haraga, Tomoko

Bunseki Kagaku, 66(1), p.27 - 37, 2017/01

https://doi.org/10.2116/bunsekikagaku.66.27

no abstracts in English

Hydrogeomechanical properties of excavation damaged zones along galleries in different depths of the Horonobe underground research laboratory

Aoyagi, Kazuhei; Ishii, Eiichi

Dai-14-Kai Iwa No Rikigaku Kokunai Shimpojiumu Koen Rombunshu (Internet), 6 Pages, 2017/01

The objective of this research is to investigate the hydro-mechanical properties of excavation damaged zones (EDZs) along the galleries excavated in 250 m and 350 m depths. We conducted hydraulic tests, BTV observations and core analyses. As a result, in the 250 m gallery, the extent of the EDZ was 1.0 m into the gallery wall. The hydraulic conductivity was increased by 2 to 3 orders of magnitudes compared with that of intact rock. On the other hand, in the 350 m gallery, the extent of the EDZ was 0.4 m into the gallery wall; the hydraulic conductivity was increased by 5 orders of magnitudes compared with that of intact rock. We investaged the difference of the characteristics of the EDZs on the basis of competence factor and ductility index. As a result, it was estimated that an extent of an EDZ decreases with decrease of competence factor; a hydraulic conductivity in an EDZ increases with decrease of ductility index.

Long-term evaluation of excavation damaged zone by optical measurement in Horonobe Underground Research Laboratory

Hata, Koji*; Niunoya, Sumio*; Aoyagi, Kazuhei

Dai-14-Kai Iwa No Rikigaku Kokunai Shimpojiumu Koen Rombunshu (Internet), 6 Pages, 2017/01

The objective of this research is to investigate the long-term hydro-mechanical behavior of rock mass around the shaft in the Horonobe Underground Research Laboratory (URL). The long-term monitoring has been carried out by optical AE sensors, optical water pressure sensors, and optical temperature sensors below 350m depth of the shaft in the Horonobe URL. From the measurement results, the extent of an excavation damaged zone was 1.5m within the shaft wall. After the excavation, it was observed that the unsaturated zone of the groundwater was spread more than 1.5m within the shaft wall.

Higher harmonic imaging of small defects in ODS steel cladding tubes and characterization of the defects with SEM

Kawashima, Koichiro*; Yano, Yasuhide; Tanno, Takashi; Kaito, Takeji

Dai-24-Kai Choompa Ni Yoru Hihakai Hyoka Shimpojiumu Koen Rombunshu (USB Flash Drive), p.99 - 104, 2017/01

no abstracts in English

Implementation of muon interaction models in PHITS

Abe, Shinichiro; Sato, Tatsuhiko

Journal of Nuclear Science and Technology, 54(1), p.101 - 110, 2017/01

https://doi.org/10.1080/00223131.2016.1210043

There are several researches for application of muons, e.g. the visualization of inner-structure of nuclear reactors by using high-energy cosmic-ray muons, nuclear transmutation of long-lived fission products (LLFPs) and nondestructive elemental analysis by using low-energy negative muon. In this study, we construct models for muon interactions (i.e., bremsstrahlung, electron-positron pair production, muon photonuclear interaction, and negative muon capture reaction) and implement them into PHITS in order to make PHITS available for investigations of muon application. The improved PHITS agrees well with experimental data not only for the vertical intensities of cosmic-ray muons in water and standard rock, but also for neutron production by muon photonuclear interaction and negative muon capture reaction. The improved PHITS can also reproduce the cross-section of radionuclide production by muons passing through a concrete wall very well. These results indicate the applicability of the improved PHITS to the shielding design of muon facilities in which estimations of attenuation length and induced radioactivity are important.

Alloy design and mechanical properties; First-principles calculations of dislocation core

Tsuru, Tomohito

Materia, 56(1), p.5 - 13, 2017/01

http://doi.org/10.2320/materia.56.5

Elements strategy becomes important to investigate alternative materials of rare metals. We have dedicated to establish a new approach based on computational methods. In the present paper, we propose two approaches based on first-principles and theory of dislocations. These methods are introduced to magnesium alloys.

Hydrogenation of iron in the early stage of Earth's evolution

Iizuka, Riko*; Yagi, Takehiko*; Goto, Hirotada*; Okuchi, Takuo*; Hattori, Takanori; Sano, Asami

Nature Communications (Internet), 8, p.14096_1 - 14096_7, 2017/01

AA2016-0524.pdf:0.73MB

https://doi.org/10.1038/ncomms14096

Density of the Earth's core is lower than that of pure iron and the light element(s) in the core is a long-standing problem. Hydrogen is the most abundant element in the solar system and thus one of the important candidates. However, the dissolution process of hydrogen into iron remained unclear. Here we carry out high-pressure and high-temperature in situ neutron diffraction experiments and clarify that when the mixture of iron and hydrous minerals are heated, iron is hydrogenized soon after the hydrous mineral is dehydrated. This implies that early in the Earth's evolution, as the accumulated primordial material became hotter, the dissolution of hydrogen into iron occurred before any other materials melted. This suggests that hydrogen is likely the first light element dissolved into iron during the Earth's evolution and it may affect the behaviour of the other light elements in the later processes.

Development of ion exchange ligands with high separation performance and colorimetric analysis using gold nanoparticles decorated with the functional ligands

Shimojo, Kojiro

Nihon Ion Kokan Gakkai-Shi, 28(1), p.1 - 10, 2017/01

https://doi.org/10.5182/jaie.28.1

Development of metal separating reagents with high selectivity is necessary for efficient separation and recovery of valuable metals contained in industrial wastes, and removal and detection of toxic metals. We have developed novel metal separating ligands with a diglycolamic acid (DGAA) framework. The ligands have a tridentate coordination structure consisting of an amide group and a carboxy group connected by an ether chain and provide a metal separation ability superior to that of commercial ligands. Since the ligands can be synthesized simply in one step, this helps to reduce the production costs of the ligands. In the present review article, we report the extraction characteristics of DGAA-type ligand for 56 kinds of metal ions, extraction separation of rare-earth metal ions, and removal of toxic metal ions. Furthermore, a one-pot biological approach to fabricate DGAA-decorated gold nanoparticles has been developed using the DGAA-type ligand fused to the N-terminus of a gold-binding peptide. It was found that the DGAA-decorated gold nanoparticles can act as a high-sensitive colorimetric sensor for detecting toxic metal ions with color change.

Theoretical elucidation of space charge effects on the coupled-bunch instability at the 3 GeV Rapid Cycling Synchrotron at the Japan Proton Accelerator Research Complex

Shobuda, Yoshihiro; Chin, Y. H.*; Saha, P. K.; Hotchi, Hideaki; Harada, Hiroyuki; Irie, Yoshiro*; Tamura, Fumihiko; Tani, Norio; Toyama, Takeshi*; Watanabe, Yasuhiro; et al.

Progress of Theoretical and Experimental Physics (Internet), 2017(1), p.013G01_1 - 013G01_39, 2017/01

AA2016-0375.pdf:3.07MB

https://doi.org/10.1093/ptep/ptw169

The Rapid Cycling Synchrotron (RCS), whose beam energy ranges from 400 MeV to 3 GeV and which is located in the Japan Proton Accelerator Research Complex, is a kicker-impedance dominant machine, which violates the impedance budget from a classical viewpoint. Contrary to conventional understanding, we have succeeded to accelerate a 1-MW equivalent beam. The machine has some interesting features: for instance, the beam tends to be unstable for the smaller transverse beam size, the beam is stabilized by increasing the peak current . Space charge effects play an important role in the beam instability at the RCS. In this study, a new theory has been developed to calculate the beam growth rate with the head-tail and coupled-bunch modes () while taking space charge effects into account. The theory sufficiently explains the distinctive features of the beam instabilities at the RCS.

Estimation of corrosion mechanisms from the data obtained by the reproduced experiments considering the actual environments; Maritime structures and nuclear facilities

Yamamoto, Masahiro

Zairyo To Kankyo, 66(1), p.3 - 12, 2017/01

https://doi.org/10.3323/jcorr.66.3

The laboratory simulation tests which could be reproduced the corrosion reactions propagating in the actual environments were utilized to analyze the mechanism of corrosion phenomena. In this report, some results are introduced in the cases of maritime structures and nuclear facilities. Experimental apparatus was originally designed to obtain the data in high radioactive condition simulating actual plants. One is a result showing the effect of Np ion to the corrosion of stainless steel in nuclear fuel reprocessing plant. Corrosion mechanism was revealed that Np ion is reduced to Np ion by a corrosion reaction of stainless steel and then re-oxidized to Np ion in the bulk solution. And repetition of this cycle accelerated corrosion of stainless steel by a little amounts of Np addition in nitric acid solution. Another result is introduced that an effect of HO created by radiolysis of cooling water at high radioactive environment in light water reactor.

Temporal variation of dose rate distribution around the Fukushima Daiichi Nuclear Power Station using unmanned helicopter

Sanada, Yukihisa; Orita, Tadashi; Torii, Tatsuo

Applied Radiation and Isotopes, 118, p.308 - 316, 2016/12

https://doi.org/10.1016/j.apradiso.2016.09.008

An unmanned helicopter monitoring system (UHMS) was developed to survey the environmental effect of radioactive cesium scattered as a result of the Fukushima Daiichi Nuclear Power Station accident. The UHMS was mainly used to monitor the area surrounding the Fukushima Daiichi Nuclear Power Station six times from 2012 to 2015. Quantitative changes in the radioactivity distribution trend were revealed from the results of these monitorings runs.

Chemical properties of rutherfordium (Rf) and dubnium (Db) in the aqueous phase

Nagame, Yuichiro; Kratz, J. V.*; Schdel, M.*

EPJ Web of Conferences, 131, p.07007_1 - 07007_8, 2016/12

BB2016-0022.pdf:0.96MB

https://doi.org/10.1051/epjconf/201613107007

Characteristics of micro transfer paths and diffusion phenomena in the matrix of deep crystalline rock

Ishibashi, Masayuki; Sasao, Eiji; Hama, Katsuhiro

Genshiryoku Bakkuendo Kenkyu (CD-ROM), 23(2), p.121 - 130, 2016/12

http://doi.org/10.3327/jnuce.23.2_121

Matrix diffusion is one of the important phenomena for safety assessment of radioactive waste disposal because it has an effect of retarding the mass transport in crystalline rocks. Although there is not enough knowledge on the matrix diffusion in unaltered (intact) rocks around fractures. Intact granitic rocks around fractures are affected by primary alteration related to hydrothermal fluid resulting from crystallization of granitic magma. Therefore, detailed observations were carried out to clarify the effects of primary alteration focused on the intact granite around fractures sampled from the MIU, central Japan. The results of observation provide that the micropores are formed in plagioclases affected by primary alteration and have the potential of acting as matrix diffusion paths. This is indicating the possibility that intact granitic rock around fractures in an orogenic belt such as Japan have also the retardation functions due to matrix diffusion.

Formation of carbon alloys by low-energy ion doping and its application for adsorptive desulfurization

Shimoyama, Iwao

Hoshasen To Sangyo, (141), p.7 - 11, 2016/12

Desulfurization is an indispensable process on hydrogen formation from fossil fuel. Adsorptive desulfurization, alternative to conventional hydrogenation desulfurization, requires development of stable activated carbon adsorbents with high performance. I study dopant dependence on thiophene adsorption for carbon alloys prepared by heteroatom doping using low-energy ion beam. I doped nitrogen and phosphorus as dopants of group 15 elements in graphite surfaces, and clarified that phosphorus is superior in thiophene adsorption to nitrogen, and that the effect of phosphorus is higher with room temperature doping than with high temperature doping by about 10 times. X-ray absorption spectroscopy indicated that local structures around phosphorus sites were different between them. I attribute the high adsorption property to formation of curved phosphorus sites prepared by room temperature doping. Above results suggest that the property of carbon alloy can be controlled by low-energy ion beam.

Contrast variation by dynamic nuclear polarization and time-of-flight small-angle neutron scattering, 1; Application to industrial multi-component nanocomposites

Noda, Yohei*; Koizumi, Satoshi*; Masui, Tomomi*; Mashita, Ryo*; Kishimoto, Hiromichi*; Yamaguchi, Daisuke; Kumada, Takayuki; Takata, Shinichi; Oishi, Kazuki*; Suzuki, Junichi*

Journal of Applied Crystallography, 49(6), p.2036 - 2045, 2016/12

https://doi.org/10.1107/S1600576716016472

The Reaction mechanism of polyalcohol dehydration in hot pressurized water

Ruiz-Barragan, S.*; Ribas Ario, J.*; Shiga, Motoyuki

Physical Chemistry Chemical Physics, 18(47), p.32438 - 32447, 2016/12

https://doi.org/10.1039/C6CP05695D

The use of high-temperature liquid water (HTW) as a reaction medium is a very promising technology in the field of green chemistry. In order to fully exploit this technology, it is crucial to unravel the reaction mechanisms of the processes carried out in HTW. In this work, the reaction mechanism of 2,5-hexanediol dehydration in HTW has been studied by means of three different ab initio simulations: string method, metadynamics and molecular dynamics in real time. It is found that the whole reaction involving the protonation, bond exchange and the deprotonation occurs in a single step without a stable intermediate. The hydrogen bonded network of surrounding water has a vital role in assisting an efficient proton relay at the beginning and at the end of the reaction. It is confirmed that the reaction is energetically most favorable in the SN2 pathway with an estimated barrier of 36 kcal/mol, which explains the high stereo selectivity and the reaction rate observed in experiment.

Novel neutron scattering techniques using neutron transmission spectra

Oba, Yojiro*; Morooka, Satoshi; Sato, Hirotaka*; Sato, Nobuhiro*; Inoue, Rintaro*; Sugiyama, Masaaki*

Hamon, 26(4), p.170 - 173, 2016/11

https://doi.org/10.5611/hamon.26.4_170

Year-round variations in the fluvial transport load of particulate Cs in a forested catchment affected by the Fukushima Daiichi Nuclear Power Plant accident

Matsunaga, Takeshi; Nakanishi, Takahiro; Atarashi-Andoh, Mariko; Takeuchi, Erina; Muto, Kotomi; Tsuzuki, Katsunori; Nishimura, Shusaku; Koarashi, Jun; Otosaka, Shigeyoshi; Sato, Tsutomu*; et al.

Journal of Radioanalytical and Nuclear Chemistry, 310(2), p.679 - 693, 2016/11

AA2015-0821.pdf:3.78MB

https://doi.org/10.1007/s10967-016-4840-3

Particulate Cs in stream water was collected continuously for two years in order to assess the long-term trend of the Cs discharge from the forest environment. Sampling was conducted from December 2011 to December 2013 in a mountainous stream, which received the Cs from the Fukushima Daiichi Nuclear Power Plant accident. A seasonal increase in fluvial transport load of particulate Cs associated with suspended solids (SS) was observed in August and September when rainfall was abundant. The particulate Cs concentration decreased at a faster rate than the rate due to radioactive decay. This decrease might be resulted from redistribution of the easily eroded and polluted soil surface due to heavy rain events such as typhoons. These findings indicate that the particulate Cs load was subject to the inter-annual variations in rainfalls, and decreased gradually over a long period of time due to a decrease in Cs concentration in SS.

Spin transport in half-metallic ferromagnets

Onuma, Yuichi; Matsuo, Mamoru; Maekawa, Sadamichi

Physical Review B, 94(18), p.184405_1 - 184405_5, 2016/11

https://doi.org/10.1103/PhysRevB.94.184405

We theoretically investigate spin transport in half-metallic ferromagnets at finite temperatures. The side-jump and skew-scattering contributions to spin Hall conductivity are derived using the Kubo formula. The electron-magnon interaction causes a finite density of states in the energy gap of the minority-spin band and induces spin Hall conductivity. We show that spin Hall conductivity is proportional to , with being temperature and is sensitive to . We propose that spin Hall conductivity may be a tool to study the minority-spin state.

Analysis with CFD code for THAI test on thermal-hydraulics during PAR activation

Sato, Masatoshi; Matsumoto, Toshinori; Sugiyama, Tomoyuki; Maruyama, Yu

Proceedings of 10th Japan-Korea Symposium on Nuclear Thermal Hydraulics and Safety (NTHAS-10) (USB Flash Drive), 10 Pages, 2016/11

Left-preconditioned communication-avoiding conjugate gradient methods for multiphase CFD simulations on the K computer

Mayumi, Akie; Idomura, Yasuhiro; Ina, Takuya; Yamada, Susumu; Imamura, Toshiyuki*

Proceedings of 7th Workshop on Latest Advances in Scalable Algorithms for Large-Scale Systems (ScalA 2016) (Internet), p.17 - 24, 2016/11

https://doi.org/10.1109/ScalA.2016.007

The left-preconditioned communication avoiding conjugate gradient (LP-CA-CG) method is applied to the pressure Poisson equation in the multiphase CFD code JUPITER. The arithmetic intensity of the LP-CA-CG method is analyzed, and is dramatically improved by loop splitting for inner product operations and for three term recurrence operations. Two LP-CA-CG solvers with block Jacobi preconditioning and with underlap preconditioning are developed. It is shown that on the K computer, the LP-CA-CG solvers with block Jacobi preconditioning is faster, because the performance of local point-to-point communications scales well, and the convergence property becomes worse with underlap preconditioning. The LP-CA-CG solver shows good strong scaling up to 30,000 nodes, where the LP-CA-CG solver achieved higher performance than the original CG solver by reducing the cost of global collective communications by 69%.

IS process hydrogen production test for components and system made of industrial structural material, 1; Bunsen and HI concentration section

Tanaka, Nobuyuki; Takegami, Hiroaki; Noguchi, Hiroki; Kamiji, Yu; Iwatsuki, Jin; Aita, Hideki; Kasahara, Seiji; Kubo, Shinji

Proceedings of 8th International Topical Meeting on High Temperature Reactor Technology (HTR 2016) (CD-ROM), p.1022 - 1028, 2016/11

Japan Atomic Energy Agency (JAEA) has manufactured 100 NL/h-H-scale hydrogen test apparatus. In advance to conduct the continuous operation, we investigated performance of the components in each section of the IS process. In this paper, the results of test of Bunsen and HI concentration sections was shown. In Bunsen reaction, section, we confirmed that outlet gas flow rate included no SO gas, indicating that all the feed SO gas was absorbed to the solution in the Bunsen reactor for the Bunsen reaction. On the basis of these results, we evaluated that Bunsen reactor was workable. In HI concentration section, HI concentration was conducted by EED stack. As a result, it can concentrate HI in HIx solution as theoretically predicted on the basis of the previous paper. Based on the results added to that shown in Series II, we have conducted a trial continuous operation and succeeded it for 8 hours.

Mineralogical characterization of radioactive particles from Fukushima soil using -XRD with synchrotron radiation

Motai, Satoko*; Mukai, Hiroki*; Watanuki, Tetsu; Owada, Kenji; Fukuda, Tatsuo; Machida, Akihiko; Kuramata, Chisaki*; Kikuchi, Ryosuke*; Yaita, Tsuyoshi; Kogure, Toshihiro*

Journal of Mineralogical and Petrological Sciences, 111(5), p.305 - 312, 2016/10

https://doi.org/10.2465/jmps.150722

no abstracts in English

Spontaneous decays of magneto-elastic excitations in non-collinear antiferromagnet (Y,Lu)MnO

Oh, J.*; Le, M. D.*; Nahm, H.-H.*; Sim, H.*; Jeong, J.*; Perring, T. G.*; Woo, H.*; Nakajima, Kenji; Kawamura, Seiko; Yamani, Z.*; et al.

Nature Communications (Internet), 7, p.13146_1 - 13146_6, 2016/10

https://doi.org/10.1038/ncomms13146

Magnons and phonons are fundamental quasiparticles in a solid and can be coupled together to form a hybrid quasi-particle. However, detailed experimental studies on the underlying Hamiltonian of this particle are rare for actual materials. Moreover, the anharmonicity of such magnetoelastic excitations remains largely unexplored, although it is essential for a proper understanding of their diverse thermodynamic behaviour and intrinsic zero-temperature decay. Here we show that in non-collinear antiferromagnets, a strong magnon phonon coupling can significantly enhance the anharmonicity, resulting in the creation of magnetoelastic excitations and their spontaneous decay. By measuring the spin waves over the full Brillouin zone and carrying out anharmonic spin wave calculations using a Hamiltonian with an explicit magnon phonon coupling, we have identified a hybrid magnetoelastic mode in (Y,Lu)MnO and quantified its decay rate and the exchange-striction coupling termrequired to produce it.

Outcome of first containment cooling experiments using CIGMA

Shibamoto, Yasuteru; Yonomoto, Taisuke; Ishigaki, Masahiro; Abe, Satoshi

Proceedings of 11th International Topical Meeting on Nuclear Reactor Thermal Hydraulics, Operation and Safety (NUTHOS-11) (USB Flash Drive), 10 Pages, 2016/10

Measurement of the first ionization potential of lawrencium by surface ionization method

Sato, Tetsuya

Genshikaku Kenkyu, 61(1), p.96 - 106, 2016/09

We successfully determined the first ionization potential of lawrencium (Lr, Z=103). The result experimentally substantiated for the first time that Lr is the last member of the actinide series. Measured ionization potential suggested that Lr atom would have the electronic configuration which is different from the configuration expected based on the Periodic table. For the measurement, we have developed a novel method applied the surface ionization process. Public responses after the publication are also introduced.

Reverse stability of oxyluciferin isomers in aqueous solutions

Noguchi, Yoshifumi*; Hiyama, Miyabi*; Shiga, Motoyuki; Sugino, Osamu*; Akiyama, Hidefumi*

Journal of Physical Chemistry B, 120(34), p.8776 - 8783, 2016/09

https://doi.org/10.1021/acs.jpcb.6b04963

We investigated the stability of oxyluciferin anions (keto, enol, and enolate isomers) in aqueous solution at room temperature by performing a nanosecond time scale first-principles molecular dynamics simulation. In contrast to all previous quantum chemistry calculations, which suggested the keto-type to be the most stable, we show that the enol-type is slightly more stable than the keto-type, in agreement with some recent experimental studies. The simulation highlights the remarkable hydrophobicity of the keto-type by the cavity formed at the oxyluciferin-water interface as well as a reduction in hydrophobicity with the number of hydrating water molecules. It is therefore predicted that the isomeric form in a hydrated cluster is size-dependent.

Behavior of high-burnup advanced LWR fuels under accident conditions

Amaya, Masaki; Udagawa, Yutaka; Narukawa, Takafumi; Mihara, Takeshi; Taniguchi, Yoshinori

Proceedings of Annual Topical Meeting on LWR Fuels with Enhanced Safety and Performance (TopFuel 2016) (USB Flash Drive), p.53 - 62, 2016/09

In order to evaluate adequacy of present safety criteria and safety margins in terms of advanced fuels and provide a database for future regulation on them, JAEA started an extensive research program called ALPS-II program, which has been sponsored by NRA, Japan. This program is primarily composed of tests simulating a RIA and a LOCA on the high-burnup advanced fuels irradiated in commercial PWR or BWR. Recently, the failure limits of the high-burnup advanced fuels under RIA conditions were investigated at NSRR, and post-test examinations on the fuel rods after the pulse irradiation tests are being performed. In terms of the simulated LOCA test, integral thermal shock tests and high temperature oxidation tests were carried out at RFEF, and the fracture limits, high temperature oxidation rate, etc. of the high-burnup advanced fuel cladding were investigated. This paper mainly describes some recent experimental results obtained in this program with respect to RIA and LOCA.

Analyses of SPERT-CDC test 859 by FEMAXI-7 and RANNS codes

Taniguchi, Yoshinori; Udagawa, Yutaka; Amaya, Masaki

Proceedings of Annual Topical Meeting on LWR Fuels with Enhanced Safety and Performance (TopFuel 2016) (USB Flash Drive), p.229 - 238, 2016/09

Prolonged stoppage of research reactors and critical assemblies affects human resource development

Uesaka, Mitsuru*; Mineo, Hideaki

Nihon Genshiryoku Gakkai-Shi ATOMO, 58(8), p.468 - 473, 2016/08

All the research reactors and critical assemblies (hereinafter RRCAs) in Japan are stopped in order to fulfil the new regulatory requirements, which were reinforced after the accident at the Tokyo Electric Power Company's Fukushima Daiichi Nuclear Power Station. These RRCAs have played important roles in the areas of human resource development, academic research, medical and industrial application of nuclear technology. Prolonged stoppage of RRCAs affects adversely those activities. Atomic Energy Society of Japan set up a group to discuss this issue. The group has shown a proposal that the roles of the RRCAs, which are indispensable facilities to nuclear human resource development, should be placed positively in the energy policy and the science and technology policy of the country.

Chiral magnetism in an itinerant helical magnet, MnSi; An Extended Si NMR study

Yasuoka, Hiroshi; Motoya, Kiyoichiro*; Majumder, M.*; Witt, S.*; Kerllner, C.*; Baenitz, M.*

Journal of the Physical Society of Japan, 85(7), p.073701_1 - 073701_4, 2016/07

https://doi.org/10.7566/JPSJ.85.073701

Resonant inelastic X-ray scattering study of entangled spin-orbital excitations in superconducting PrFeAsO

Nomura, Takuji*; Harada, Yoshihisa*; Niwa, Hideharu*; Ishii, Kenji*; Ishikado, Motoyuki*; Shamoto, Shinichi; Jarrige, I.*

Physical Review B, 94(3), p.035134_1 - 035134_9, 2016/07

https://doi.org/10.1103/PhysRevB.94.035134

Low-energy electron excitation spectra were measured on a single crystal of a typical iron-based superconductor PrFeAsO using resonant inelastic X-ray scattering (RIXS) at the Fe- edge.

Effects of temperature and isotopic substitution on electron attachment dynamics of guanine-cytosine base pair; Ring-polymer and classical molecular dynamics simulations

Minoshima, Yusuke*; Seki, Yusuke*; Takayanagi, Toshiyuki*; Shiga, Motoyuki

Chemical Physics, 472, p.1 - 8, 2016/06

https://doi.org/10.1016/j.chemphys.2016.02.019

The dynamical process of electron attachment to a guanine-cytosine pair in the normal (h-GC) and deuterated (d-GC) forms has been studied theoretically by semiclassical ring-polymer molecular dynamics (RPMD) simulations using the empirical valence bond model. The initially formed dipole-bound anion is converted rapidly to the valence-bound anion within about 0.1 ps in both h-GC and d-GC. However, the subsequent proton transfer in h-GC occurs with a rate five times greater than the deuteron transfer in d-GC. The change of rates with isotopic substitution and temperature variation in the RPMD simulations are quantitatively and qualitatively different from those in the classical molecular dynamics (MD) simulations, demonstrating the importance of nuclear quantum effects on the dynamics of this system.

Study of experimental core configuration of the modified STACY for reactivity worth measurement of MCCI products

Gunji, Satoshi; Tonoike, Kotaro; Izawa, Kazuhiko; Sono, Hiroki

Proceedings of International Conference on the Physics of Reactors; Unifying Theory and Experiments in the 21st Century (PHYSOR 2016) (USB Flash Drive), p.3927 - 3936, 2016/05

Criticality safety of fuel debris including MCCI products is one of the major safety is-sues for decommissioning of Fukushima Daiichi Nuclear Power Station. Criticality or subcriticality condition of the fuel debris is still uncertain since its composition, location, neutron moderation, etc. are not confirmed. Also uncertain in criticality control of fuel debris is the effectiveness of neutron poison in cooling water. A database is being built by computation in JAEA, covering a wide range of possible conditions of such composition, neutron moderation, etc., to facilitate assessing criticality characteristics when fuel debris samples are taken and their conditions are known. The computation also has uncertainties to be clarified by critical experiments, which is planned by JAEA to be conducted with the modified STACY and samples simulating fuel debris compositions. This report introduces a study of experimental core configurations for reactivity worth measurements of samples simulating MCCI products. It is concluded that the measurement is feasible in both under- and over-moderated conditions. Additionally, required amount of samples was estimated.

Recent research activities using NSRR on safety related issues

Udagawa, Yutaka; Sugiyama, Tomoyuki; Amaya, Masaki

Proceedings of 2016 International Congress on Advances in Nuclear Power Plants (ICAPP 2016) (CD-ROM), p.1183 - 1189, 2016/04

Partitioning and transmutation by ADS

Oigawa, Hiroyuki

Hoshasei Haikibutsu Genyoka, Yugai Teigen No Gijutsu Kaihatsu, Kakushu Bunri, Tenkan; NSA/Commentaries, No.22, p.38 - 50, 2016/03

http://syskon.jp/NSA%20commentaries%20No22.pdf

An Accelerator-Driven System (ADS) is a hybrid nuclear system coupling a subcritical reactor consisting of minor actinide fuels with a spallation neutron source driven by a high-power proton accelerator, aiming at effective transmutation of MA contained in high-level radioactive wastes. An ADS with thermal power of 800MW can transmute MA produced in 10 light water reactors with electric power of 1GW. To realize ADS, we should solve various technical challenges such as a high-power accelerator, a spallation target, a subcritical reactor, recycle technology of MA fuel, and so on. JAEA is conducting research and development to solve these technical challenges with making use of international collaborations, and planning a new experimental program using J-PARC.

Theory of spin Hall magnetoresistance (SMR) and related phenomena

Chen, Y.-T.*; Takahashi, Saburo*; Nakayama, Hiroyasu*; Althammer, M.*; Goennenwein, S. T. B.*; Saito, Eiji; Bauer, G. E. W.*

Journal of Physics; Condensed Matter, 28(10), p.103004_1 - 103004_15, 2016/03

https://doi.org/10.1088/0953-8984/28/10/103004

We review the so-called spin Hall magnetoresistance (SMR) in bilayers of a magnetic insulator and a metal, in which spin currents are generated in the normal metal by the spin Hall effect. The associated angular momentum transfer to the ferromagnetic layer and thereby the electrical resistance is modulated by the angle between the applied current and the magnetization direction. The SMR provides a convenient tool to non-invasively measure the magnetization direction and spin-transfer torque to an insulator. We introduce the minimal theoretical instruments to calculate the SMR, i.e. spin diffusion theory and quantum mechanical boundary conditions. This leads to a small set of parameters that can be fitted to experiments. We discuss the limitations of the theory as well as alternative mechanisms such as the ferromagnetic proximity effect and Rashba spin-orbit torques, and point out new developments.

The Investigation of the new multipurpose research reactor succeeding to JRR-3

Takino, Kazuo; Arai, Masaji; Murayama, Yoji

Proceedings of International Topical Meeting on Research Reactor Fuel Management and Meeting of the International Group on Reactor Research (RRFM/IGORR 2016) (Internet), p.667 - 676, 2016/03

Our working group has started to investigate basic concepts of the new research reactor which foresaw twenty years later. The aim of this project is to build up the design of new multipurpose research reactor which is constructed instead of JRR-3 for utilization of the neutron beam, irradiation, training and so on.

On the hierarchical parallelization of simulations

Ruiz-Barragan, S.*; Ishimura, Kazuya*; Shiga, Motoyuki

Chemical Physics Letters, 646, p.130 - 135, 2016/02

https://doi.org/10.1016/j.cplett.2016.01.017

A hierarchical parallelization has been implemented in a new unified code PIMD-SMASH for simulation where the replicas and the Born-Oppenheimer forces are parallelized. It is demonstrated that ab initio path integral molecular dynamics simulations can be carried out very efficiently for systems up to a few tens of water molecules. The code was then used to study a Diels-Alder reaction of cyclopentadiene and butenone by ab initio string method. A reduction in the reaction energy barrier is found in the presence of hydrogen-bonded water, in accordance with experiment.