Modelling concrete degradation by coupled non-linear processes

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

Journal of Advanced Concrete Technology, 19(10), p.1075 - 1087, 2021/10

https://doi.org/10.3151/jact.19.1075

Concrete in a transuranic (TRU) waste repository is considered a suitable material to ensure safety, provide structural integrity and retard radionuclide migration after the waste containers fail. In the current study, coupling between chemical, mass-transport and mechanical, so-called non-linear processes that control concrete degradation and crack development were investigated by coupled numerical models. Application of such coupled numerical models allows identification of the dominant non-linear processes that will control long-term concrete degradation and crack development in a TRU waste repository.

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.

Hydration and degradation of High content Fly ash Silica fume Cement (HFSC)

Anraku, Sohtaro; Walker, C.*; Oda, Chie; Mihara, Morihiro; Honda, Akira

Proceedings of 15th International Congress on the Chemistry of Cement (ICCC 2019) (Internet), 11 Pages, 2019/09

The Surface composition of asteroid 162173 Ryugu from Hayabusa2 near-infrared spectroscopy

Kitazato, Kohei*; Milliken, R. E.*; Iwata, Takahiro*; Abe, Masanao*; Otake, Makiko*; Matsuura, Shuji*; Arai, Takehiko*; Nakauchi, Yusuke*; Nakamura, Tomoki*; Matsuoka, Moe*; et al.

Science, 364(6437), p.272 - 275, 2019/04

https://doi.org/10.1126/science.aav7432

The near-Earth asteroid 162173 Ryugu, the target of Hayabusa2 sample return mission, is believed to be a primitive carbonaceous object. The Near Infrared Spectrometer (NIRS3) on Hayabusa2 acquired reflectance spectra of Ryugu's surface to provide direct measurements of the surface composition and geological context for the returned samples. A weak, narrow absorption feature centered at 2.72 micron was detected across the entire observed surface, indicating that hydroxyl (OH)-bearing minerals are ubiquitous there. The intensity of the OH feature and low albedo are similar to thermally- and/or shock-metamorphosed carbonaceous chondrite meteorites. There are few variations in the OH-band position, consistent with Ryugu being a compositionally homogeneous rubble-pile object generated from impact fragments of an undifferentiated aqueously altered parent body.

Stability of montmorillonite edge faces studied using first-principles calculations

Sakuma, Hiroshi*; Tachi, Yukio; Yotsuji, Kenji; Suehara, Shigeru*; Arima, Tatsumi*; Fujii, Naoki*; Kawamura, Katsuyuki*; Honda, Akira

Clays and Clay Minerals, 65(4), p.252 - 272, 2017/08

https://doi.org/10.1346/CCMN.2017.064062

Structure and stability of montmorillonite edge faces (110), (010), (100), and (130) of the layer charges y = 0.5 and 0.33 are investigated by the first-principles electronic calculations based on the density functional theory. Stacking and single layer models are tested for understanding the effect of stacking on the stability of montmorillonite edge faces. Most stacking layers stabilize the edge faces by making hydrogen bonds between the layers; therefore, the surface energy of stacking layers is reduced rather than the single layer model. This indicates that the surface energy of edge faces should be estimated depending on the swelling conditions. Lowest surface energies of (010) and (130) edge faces were realized by the presence of Mg ions on the edge faces. These edge faces have a strong adsorption site for cations due to local negative charge of the edges.

Crack formation in cementitious materials used for an engineering barrier system and their impact on hydraulic conductivity from the viewpoint of performance assessment of a TRU Waste disposal system

Hirano, Fumio; Otani, Yoshiteru*; Kyokawa, Hiroyuki*; Mihara, Morihiro; Shimizu, Hiroyuki*; Honda, Akira

Nihon Genshiryoku Gakkai Wabun Rombunshi, 15(2), p.97 - 114, 2016/06

https://doi.org/10.3327/taesj.J15.015

A mechanical analysis code MACBECE2014 has been developed at the Japan Atomic Energy Agency to make realistic simulations of the physical integrity of the near-field for performance assessment of geological disposal of TRU waste in Japan. The MACBECE2014 code can be used to evaluate long-term changes in the mechanical behavior and any subsequent changes in the permeability of engineering barrier components, including crack formation in cementitious materials caused by expansion due to metal corrosion. Simulated results of the TRU waste disposal system with a bentonite buffer using the MACBECE2014 code demonstrated that the low permeability of the engineering barrier system could be maintained for long time periods after disposal because the physical integrity of the bentonite buffer remained intact. Simulated results of the disposal system with a concrete backfill, showed that crack formation leads to a significant increase in permeability of the system.

Na-montmorillonite dissolution rate determined by varying the Gibbs free energy of reaction in a dispersed system and its application to a coagulated system in 0.3M NaOH solution at 70C

Oda, Chie; Walker, C.; Chino, Daisuke*; Ichige, Satoru; Honda, Akira; Sato, Tsutomu*; Yoneda, Tetsuro*

Applied Clay Science, 93-94, p.62 - 71, 2014/05

https://doi.org/10.1016/j.clay.2014.02.021

Na-montmorillonite dissolution in a 0.3M NaOH solution has been investigated at pH12 and 70C. The flow-through dissolution experiments were conducted in a dispersed system with varying concentrations of Si and Al to derive a Na-montmorillonite dissolution rate, as a non-linear function of the Gibbs free energy of reaction, dGr. This rate equation was used to simulate the batch-type Na-montmorillonite reaction experiments conducted in a coagulated system. The model simulation of the batch-type experiment adopting the empirical rate equations of Na-montmorillonite dissolution and secondary mineral analcime precipitation were able to reproduce the measured changes in the amount of dissolved Na-montmorillonite and concentrations of Si and Al in solution. The results showed that the empirical rate equation of Na-montmorillonite dissolution determined in the dispersed system was applicable to the coagulated system over a higher dGr range and that the concentrations of Si and Al in the batch experiment were controlled by the precipitation of analcime.

Neutron-sensitive ZnS/BO ceramic scintillator detector as an alternative to a He-gas-based detector for a plutonium canister assay system

Nakamura, Tatsuya; Ozu, Akira; To, Kentaro; Sakasai, Kaoru; Suzuki, Hiroyuki; Honda, Katsunori; Birumachi, Atsushi; Ebine, Masumi; Yamagishi, Hideshi*; Takase, Misao; et al.

Nuclear Instruments and Methods in Physics Research A, 763, p.340 - 346, 2014/05

https://doi.org/10.1016/j.nima.2014.05.049

A neutron-sensitive ZnS/BO ceramic scintillator detector was developed as an alternative to a He-gas-based detector for use in a plutonium canister assay system. The detector has a modular structure, with a flat ZnS/BOceramic scintillator strip that is installed diagonally inside a light-reflecting aluminium case with a square cross section. The prototype detectors, which have a neutron-sensitive area of 30 mm 250 mm, exhibited a sensitivity of 21.7-23.4 0.1 cpsnv for thermal neutrons, a Cs -ray sensitivity of 1.1-1.9 0.2 10 and a count variation of less than 6% over the detector length. A trial experiment revealed a temperature coefficient of less than -0.24 0.05% / C over the temperature range of 20-50C.

Molecular orbital analysis on dissolution of smectite under strong alkaline condition with high Ca concentration

Matsue, Naoto*; Abidin, Z.*; Fujii, Naoki*; Oda, Chie; Honda, Akira

Nendo Kagaku, 52(2), p.62 - 70, 2014/00

https://doi.org/10.11362/jcssjnendokagaku.52.2_62

Bentonite is expected to be used along with cement as engineered barrier components of TRU waste geological disposal system. There is a concern that the bentonite dissolved or altered owing to the contact with strong alkaline and high Ca concentration water derived from the reaction of the cement and groundwater. The first-principles quantum chemical calculations using the cluster model of montmorillonite, the main component of bentonite, were performed, and it was indicated that octahedral Al has higher solubility than octahedral Mg under strong alkaline condition and unsaturated Si-O-Al bond connecting tetrahedral and octahedral sheets at the edge of 110 and 010 planes cleaves easily. The adsorption of OH on tetrahedral Si atom caused dissolution of adjacent Si and Al atoms in addition to the Si atom. While, the dissociation of Si-OH and Al-OH groups and the difference in exchangeable cation species were shown to be less likely to affect the dissolution behavior of montmorillonite.

Reactive-transport model analyses of bentonite alteration behavior at alkaline condition generated by cement-water interaction in a TRU wastes repository

Oda, Chie; Honda, Akira; Takase, Hiroyasu*; Ozone, Kenji*; Sasaki, Ryoichi*; Yamaguchi, Kohei*; Sato, Tsutomu*

Nendo Kagaku, 51(2), p.34 - 49, 2013/02

http://ci.nii.ac.jp/naid/110009594110

Proposed TRU repository designs for geological disposal envisage the use of a bentonite buffer to limit the migration of radionuclides by impeding groundwater flow. Under highly alkaline conditions due to cementitious materials could cause a complex series of coupled changes in the porewater chemistry, mineralogy and, ultimately, the mass transport properties of the bentonite buffer. To elucidate the consequences of these coupled changes, reactive-transport model analyses have been conducted for eight bentonite alteration test cases using different combinations of secondary minerals that could form in the bentonite buffer. It was found that after 100,000 years the amount of dissolved bentonite was at a maximum when metastable secondary minerals precipitated. It was also found that the diffusion and hydraulic coefficients after 100,000 years in all test cases were on the same order of magnitude as the initial values.