A Coupled modeling simulator for near-field processes in cement engineered barrier systems for radioactive waste disposal

Benbow, S. J.*; Kawama, Daisuke*; Takase, Hiroyasu*; Shimizu, Hiroyuki*; Oda, Chie; Hirano, Fumio; Takayama, Yusuke; Mihara, Morihiro; Honda, Akira

Crystals (Internet), 10(9), p.767_1 - 767_33, 2020/09

https://doi.org/10.3390/cryst10090767

Details are presented of the development of a coupled modeling simulator for assessing the evolution in the near-field of a geological repository for radioactive waste disposal where concrete is used as a backfill. The simulator uses OpenMI, a standard for exchanging data between simulation software programs at run-time, to form a coupled chemical-mechanical-hydrogeological model of the system. The approach combines a tunnel scale stress analysis finite element model, a discrete element model for accurately modeling the patterns of emerging cracks in the concrete, and a finite element and finite volume model of the chemical processes and alteration in the porous matrix and cracks in the concrete, to produce a fully coupled model of the system. Combining existing detailed simulation software in this way with OpenMI has the benefit of not relying on simplifications that might be necessary to combine all of the modeled processes in a single piece of software.

The Joint evaluated fission and fusion nuclear data library, JEFF-3.3

Plompen, A. J. M.*; Cabellos, O.*; De Saint Jean, C.*; Fleming, M.*; Algora, A.*; Angelone, M.*; Archier, P.*; Bauge, E.*; Bersillon, O.*; Blokhin, A.*; et al.

European Physical Journal A, 56(7), p.181_1 - 181_108, 2020/07

https://doi.org/10.1140/epja/s10050-020-00141-9

The Joint Evaluated Fission and Fusion nuclear data library 3.3 is described. New evaluations for neutron-induced interactions with the major actinides U, U and Pu, on Am and Na, Ni, Cr, Cu, Zr, Cd, Hf, W, Au, Pb and Bi are presented. It includes new fission yileds, prompt fission neutron spectra and average number of neutrons per fission. In addition, new data for radioactive decay, thermal neutron scattering, gamma-ray emission, neutron activation, delayed neutrons and displacement damage are presented. JEFF-3.3 was complemented by files from the TENDL project. The libraries for photon, proton, deuteron, triton, helion and alpha-particle induced reactions are from TENDL-2017. The demands for uncertainty quantification in modeling led to many new covariance data. A comparison between results from model calculations using the JEFF-3.3 library and those from benchmark experiments for criticality, delayed neutron yields, shielding and decay heat, reveals that JEFF-3.3 is excellent for a wide range of nuclear technology applications, in particular nuclear energy.

Evidence for magnon-phonon coupling in the topological magnet CuTeO

Bao, S.*; Cai, Z.*; Si, W.*; Wang, W.*; Wang, X.*; Shangguan, Y.*; Ma, Z.*; Dong, Z.-Y.*; Kajimoto, Ryoichi; Ikeuchi, Kazuhiko*; et al.

Physical Review B, 101(21), p.214419_1 - 214419_8, 2020/06

https://doi.org/10.1103/PhysRevB.101.214419

Overlapping communications in gyrokinetic codes on accelerator-based platforms

Asahi, Yuichi*; Latu, G.*; Bigot, J.*; Maeyama, Shinya*; Grandgirard, V.*; Idomura, Yasuhiro

Concurrency and Computation; Practice and Experience, 32(5), p.e5551_1 - e5551_21, 2020/03

https://doi.org/10.1002/cpe.5551

Two five-dimensional gyrokinetic codes GYSELA and GKV were ported to the modern accelerators, Xeon Phi KNL and Tesla P100 GPU. Serial computing kernels of GYSELA on KNL and GKV on P100 GPU were respectively 1.3x and 7.4x faster than those on a single Skylake processor. Scaling tests of GYSELA and GKV were respectively performed from 16 to 512 KNLs and from 32 to 256 P100 GPUs, and data transpose communications in semi-Lagrangian kernels in GYSELA and in convolution kernels in GKV were found to be main bottlenecks, respectively. In order to mitigate the communication costs, pipeline-based and task-based communication overlapping were implemented in these codes.

Shell structure of the neutron-rich isotopes Co

Lokotko, T.*; Leblond, S.*; Lee, J.*; Doornenbal, P.*; Obertelli, A.*; Poves, A.*; Nowacki, F.*; Ogata, Kazuyuki*; Yoshida, Kazuki; Authelet, G.*; et al.

Physical Review C, 101(3), p.034314_1 - 034314_7, 2020/03

https://doi.org/10.1103/PhysRevC.101.034314

The structures of the neutron-rich Co isotopes were investigated via () knockout reactions at the Radioactive Isotope Beam Factory, RIKEN. Level schemes were reconstructed using the coincidence technique, with tentative spin-parity assignments based on the measured inclusive and exclusive cross sections. Comparison with shell-model calculations suggests coexistence of spherical and deformed shapes at low excitation energies in the Co isotopes.

Ultralow thermal conductivity from transverse acoustic phonon suppression in distorted crystalline -MgAgSb

Li, X.*; Liu, P.-F.*; Zhao, E.*; Zhang, Z.*; Guide, T.*; Le, M. D.*; Avdeev, M.*; Ikeda, Kazutaka*; Otomo, Toshiya*; Kofu, Maiko; et al.

Nature Communications (Internet), 11(1), p.942_1 - 942_9, 2020/02

https://doi.org/10.1038/s41467-020-14772-5

In high-performance thermoelectric materials, there are two main low thermal conductivity mechanisms: the phonon anharmonic and phonon scattering resulting from the dynamic disorder, which have been successfully revealed by inelastic neutron scattering. Using neutron scattering and ab initio calculations, we report here a mechanism of static local structure distortion combined with phonon-anharmonic-induced ultralow lattice thermal conductivity in -MgAgSb. Since the transverse acoustic phonons are almost fully scattered by the intrinsic distorted rocksalt sublattice in this compound, the heat is mainly transported by the longitudinal acoustic phonons. The ultralow thermal conductivity in -MgAgSb is attributed to its atomic dynamics being altered by the structure distortion, which presents a possible microscopic route to enhance the performance of similar thermoelectric materials.

IRDFF-II; A New neutron metrology library

Trkov, A.*; Griffin, P. J.*; Simakov, S. P.*; Greenwood, L. R.*; Zolotarev, K. I.*; Capote, R.*; Aldama, D. L.*; Chechev, V.*; Destouches, C.*; Kahler, A. C.*; et al.

Nuclear Data Sheets, 163, p.1 - 108, 2020/01

https://doi.org/10.1016/j.nds.2019.12.001

The version II of the International Reactor Dosimetry and Fusion File (IRDFF-II) has been released as a consistent set of nuclear data for fission and fusion neutron metrology applications up to 60 MeV neutron energy. The library is intended to support: (a) applications in research reactors; (b) safety and regulatory applications in the nuclear power generation in commercial fission reactors; and c) material damage studies in support of the research and development of advanced fusion concepts. The paper describes the contents of the library, documents the thorough verification process used in its preparation, and provides an extensive set of validation data gathered from a wide range of neutron benchmark fields. The new library is expected to become the international reference in neutron metrology for multiple applications.

A Review of separation processes proposed for advanced fuel cycles based on technology readiness level assessments

Baron, P.*; Cornet, S. M.*; Collins, E. D.*; DeAngelis, G.*; Del Cul, G.*; Fedorov, Y.*; Glatz, J. P.*; Ignatiev, V.*; Inoue, Tadashi*; Khaperskaya, A.*; et al.

Progress in Nuclear Energy, 117, p.103091_1 - 103091_24, 2019/11

https://doi.org/10.1016/j.pnucene.2019.103091

The results of an international review of separation processes for spent nuclear fuel (SNF) recycling in future closed fuel cycles with the evaluation of Technology Readiness Level are reported. This study was made by the Expert Group on Fuel Recycling Chemistry (EGFRC) organised by the Nuclear Energy Agency (NEA) of the Organisation for Economic Co-operation and Development (OECD). A unique feature of this study was that processes were classified according to a hierarchy of separations aimed at different elements within spent fuel (uranium; uranium-plutonium co-recovery; minor actinides; high heat generating radionuclides) and also the Head-end processes, used to prepare the SNF for chemical separation, were included. Separation processes covered both wet (hydrometallurgical) and dry (pyro-chemical) processes.

Comparison of heavy-ion transport simulations; Collision integral with pions and resonances in a box

Ono, Akira*; Xu, J.*; Colonna, M.*; Danielewicz, P.*; Ko, C. M.*; Tsang, M. B.*; Wang, Y,-J.*; Wolter, H.*; Zhang, Y.-X.*; Chen, L.-W.*; et al.

Physical Review C, 100(4), p.044617_1 - 044617_35, 2019/10

https://doi.org/10.1103/PhysRevC.100.044617

International comparison of heavy-ion induced reaction models were discussed in the international conference "Transport2017" held in April 2017. Owing to their importance for safety assessment of heavy-ion accelerators and dosimetry of astronauts, various models to simulate heavy-ion induced reaction models are developed. This study is intended to clarify the difference among them to pinpoint their problems. In the comparison study, 320 protons and neutrons were packed in a 20-fm-large cube to calculate the number and energies of collisions during the time evolution. The author contributed to this study by running calculation using JQMD (JAERI Quantum Molecular Dynamics). This study showed that time step in the calculation is one of the biggest causes of the discrepancies. For example, the calculation by JQMD comprises 1-fm/c time steps, each of which is composed of transport, scattering and decay phases. Therefore a sequence of scattering, and decay followed by another scattering in 1 fm/c cannot be considered. Moreover, in JQMD particles are labeled by sequential numbers and scattering reactions are simulated by the order. Therefore scattering between low ID numbers, that between high ID numbers and that between the first (low ID) pair is overlooked in JQMD. Above indications obtained in this study must be kept in our mind for future JQMD upgrades.

Characterisation of colloidal silica grout under saline groundwater; Penetration theory and injection tests in a fracture test system

Martikainen, J.*; Tsuji, Masakuni*; Schatz, T.*; Nakashima, Hitoshi*; Okihara, Mistunobu*; Aoyagi, Kazuhei; Sato, Toshinori

Proceedings of the Nordic Grouting Symposium 2019 (Internet), 13 Pages, 2019/09

This paper shows a result of the part of the study on characterisation of penetration of the colloidal silica grout (CSG) under saline groundwater, aiming to understand the impact of salinity on grout penetration by verifying the improved penetration theory with laboratory tests. This theory was proposed to add a time factor to the existing penetration theory of Funehag, especially under the saline groundwater conditions. A series of grout injection tests by the fracture test system were performed. The CSG of one European and Japanese were injected in the system, filled with the five different groundwater simulants. All no-flow tests were successful, resulting in the formation of relatively homogeneous gelled zones. Based on the analysis of acquired , it was found that as an alternative method, designing a longer gel time by multiplying the inverse value of can be proposed to attain the required penetration. Although the results were fruitful, further investigation is necessary to develop this penetration theory.