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O
-75MoO binary glasses composed of isolated MoO
Masuno, Atsunobu*; Munakata, Sae*; Okamoto, Yoshihiro; Yaji, Toyonari*; Kosugi, Yoshihisa*; Shimakawa, Yuichi*
Inorganic Chemistry, 63(12), p.5701 - 5708, 2024/03
Transparent and brown LaO-MoO binary glasses were prepared in bulk form using a levitation technique. The glass-forming range was limited, with the primary composition being approximately 25 mol% LaO. This glass exhibited a clear crystallization at 546 
C, while determining its glass transition temperature was difficult. Notably, despite its amorphous nature, the glass possessed a density and packing density comparable to those of crystalline LaMoO
. X-ray absorption fine structure and Raman scattering analyses revealed that the glass structure closely resembles LaMoO due to the presence of isolated MoO units, whereas disordered atomic arrangement around La atoms was confirmed. The glass demonstrated transparency ranging from 378 to 5500 nm, and the refractive index at 1.0 
m was estimated to be 2.0. The optical bandgap energy was 3.46 eV, which was slightly smaller than that of LaMoO. Additionally, the glass displayed a transparent region ranging from 6.5 to 8.0 m. This occurrence results from the decreased diversity of MoO
units and connectivity of Mo-O-Mo, which resulted in the reduced overlap of multiphonon absorption. This glass formation, with its departure from conventional glass-forming rules, resulted in distinctive glasses with crystal-like atomic arrangements.
Nagai, Takayuki; Hasegawa, Takehiko*
JAEA-Research 2023-008, 41 Pages, 2023/12
JAEA-Research-2023-008.pdf:7.52MB
To reduce the risks posed by stored the high-level radioactive liquid waste (HAW), Tokai Vitrification Facility (TVF) is working to produce the HAW into vitrified bodies. With the aim of steady vitrification of HAW in TVF, the vitrification technology section has manufactured a new 3rd melter with an improved bottom structure and is working to verify the performance of this melter. In this study, solidified glass samples were taken from simulated vitrified bodies produced by flowing molten glass during the bottom drain-out test in the operation confirmation of the TVF 3rd melter. And the properties of the surface layer and fracture surface of the vitrified bodies were evaluated by using Raman spectroscopy, synchrotron radiation XAFS measurement, and laser ablation inductively coupled plasma atomic emission spectroscopy (LA ICP-AES) analysis. As a result of measuring the surface layer and fracture surface of the solidified samples produced on an actual scale, a slight difference was confirmed between the properties of the surface layer and those of the fracture surface. Since the chemical composition of these simulated vitrified bodies does not contain platinum group elements, it is expected that the glass structure of solidified glass samples is different from that of the actual vitrified body. However, this sample measuring was a valuable opportunity to evaluate samples produced by using the direct energized joule heating method. The properties of cullet used the operation confirmation of the TVF 3rd melter and the cullet of another production lot were measured and analyzed in the same manner under the measuring conditions of solidified glass samples. As a result, it was confirmed that cullet with different producing histories have different glass structures even with the same chemical composition, and that differences in glass structures remain in the glass samples after melting these cullet.
Kobayashi, Keita; Okumura, Masahiko; Nakamura, Hiroki; Itakura, Mitsuhiro; Machida, Masahiko; Urata, Shingo*; Suzuya, Kentaro
Scientific Reports (Internet), 13, p.18721_1 - 18721_12, 2023/11
Times Cited Count：1 Percentile：0(Multidisciplinary Sciences)The first sharp peak diffraction peak (FSDP) in the structure factor of amorphous materials is thought to reflect the medium-range order structure in amorphous materials, and the structural origin of the FSDP has been a subject of ongoing debate. In this study, we employed machine learning molecular dynamics (MLMD) with nearly first-principles calculation accuracy to investigate the structural origin of the FSDP in high-density silica glass. First, we successfully reproduced various experimental data of high-density silica glass using MLMD. Furthermore, we revealed that the development (or reduction) of the FSDP in high-density silica glass is characterized by the deformation behavior of ring structures in Si-O covalent bond networks under compression.
Nagai, Takayuki; Okamoto, Yoshihiro; Yamagishi, Hirona*; Shibata, Daisuke*; Kojima, Kazuo*; Hasegawa, Takehiko*; Sato, Seiichi*; Fukaya, Akane*; Hatakeyama, Kiyoshi*
JAEA-Research 2023-004, 45 Pages, 2023/09
JAEA-Research-2023-004.pdf:6.07MB
The local structure of glass-forming elements and waste elements in borosilicate glasses varies with its chemical composition. In this study, simulated waste glass samples were prepared and the chemical state regarding boron (B), silicon (Si) and waste elements of iron (Fe), cesium (Cs) were estimated by using XAFS measurement in soft X-ray region. To understand the chemical stability of simulated waste glasses, XANES spectra of B K-edge, Fe L, L-edge, and Cs M
, M-edge were measured on the glass surface exposed to the leachate. As a result, it was found that the glass surface exposed to the leachate was changed and it was difficult to obtain a clear XANES spectrum. From the B K-edge XANES spectra on glass surfaces exposed to the leachate, an increase in three-coordination of B-O (BO) and a decrease in four-coordination of B-O (BO) were observed compared to the glass surfaces before immersion. The XANES spectra of Fe L, L-edge, and Cs M, M-edge show that as the exposure time in the leachate increases, the Cs present on the glass surface dissolves into the leachate. The XANES spectra of Si K-edge were measured on simulated waste glass surfaces before immersion, and it was confirmed that the change in XANES spectra given by NaO concentration had a larger effect than the waste component concentration.
Nagai, Takayuki
JAEA-Research 2022-014, 84 Pages, 2023/02
JAEA-Research-2022-014.pdf:22.26MB
Most of the simulated waste glasses used for physical property evaluation are processed into a shape suitable for the measurement method from glass gob obtained by slowly cooling molten glass to room temperature. However, the actual vitrified waste glass material is obtained by cooling and being coagulated the glass drained from the bottom of glass melter into the canister. In this study, Raman spectroscopy was performed on the coagulated surface of molten simulated waste glass in the depth direction to evaluate the state of the Si-O bridging structure near the coagulated glass surface. The Raman spectra measured from the surface to the depth direction near the surface of the glasses produced by several melting and coagulation conditions of molten simulated waste glass cullet in the air atmosphere, and it was confirmed that there were changes in these spectra. On the other hand, the raw material glass cullet and the surface of the glass solidified in argon gas atmosphere showed little change in the spectrum in the depth direction, and the Si-O bridging structure near the glass surface was similar. It was also confirmed that the spectrum change in the depth direction measurement was small for the cut surface of the glass, and that the change in the spectrum for the broken glass fracture surface was also small. For glasses with a large change in Raman spectra in the depth direction near the coagulated surface, the molten glass was cooled from the molten state to room temperature in a muffle furnace with air atmosphere. That is, the magnitude of the spectral change with respect to the depth direction depends on the time from the molten state to coagulation. In order to confirm the reason why the number of bridging oxygen in the Si-O bridging structure is small on the coagulated surface of glass, the XANES spectra of Si-K edge and Ce-L3 edge were measured by XAFS on the coagulated surface and the cutting face. As a result, the Si-K edge peak on the coagulated surface is
Nagai, Takayuki; Tone, Masaya; Katsuoka, Nanako; Okamoto, Yoshihiro; Baba, Yuji*; Akiyama, Daisuke*
Photon Factory Activity Report 2022 (Internet), 3 Pages, 2023/00
no abstracts in English
O-BO-SiO glass plate with bearing NiO for heat center and structural probeTomita, Kana*; Kishi, Tetsuo*; Matsumura, Daiju; Yano, Tetsuji*
Journal of Non-Crystalline Solids, 597, p.121891_1 - 121891_10, 2022/12
Times Cited Count：1 Percentile：14.66(Materials Science, Ceramics)Okamoto, Yoshihiro; Shiwaku, Hideaki; Shimamura, Keisuke*; Kobayashi, Hidekazu; Nagai, Takayuki; Inose, Takehiko*; Sato, Seiichi*; Hatakeyama, Kiyoshi*
Journal of Nuclear Materials, 570, p.153962_1 - 153962_13, 2022/11
Simulated nuclear waste glass samples containing phosphorus, which increase the solubility of molybdenum, were prepared and analyzed using synchrotron X-ray Absorption Fine Structure (XAFS) analysis for some constituent elements and Raman spectroscopic analysis of their complex structure. Changes in local structure and chemical state due to different phosphorus additions and waste loading rates were systematically studied. Consequently, no crystalline phase due to the molybdate compound was observed even at a maximum waste content of 30 wt% (corresponding to 1.87 mol% MoO
). Oxidation proceeded when the waste-loading rate was increased, whereas the reduction proceeded when phosphorus was added. In some cases, the effects of oxidation and reduction were offset. The local structure around specific elements can be classified as follows; Zn that is affected mainly by the waste-loading rate, Ce that is affected by both the waste-loading rate and phosphorus addition, and Zr element that is not affected by either of them. From the comparison between the analytical results of Mo and other elements, it was considered that the added phosphorus exists as a free PO
structural unit and may deprive the alkali metal coordinated to the molybdate ion.
Nagai, Takayuki; Okamoto, Yoshihiro; Yamagishi, Hirona*; Kojima, Kazuo*; Inose, Takehiko*; Sato, Seiichi*; Hatakeyama, Kiyoshi*
JAEA-Research 2022-008, 37 Pages, 2022/10
JAEA-Research-2022-008.pdf:5.27MB
The local structure of glass-forming elements and waste elements in borosilicate glasses varies with its chemical composition. In this study, borosilicate glass frit and simulated waste glass samples were prepared and the chemical state regarding boron (B), silicon (Si) and waste elements of iron (Fe), cesium (Cs) were estimated by using XAFS measurement in soft X-ray region. Following results were obtained by XAFS measurements of simulated waste glass surfaces after immersion test to investigate the long chemical stability. (1) As the leaching time of glass samples in immersion test passed, the Cs M, M-edge XANES spectra disappeared and the Fe L, L-edge spectra changed. (2) A new compound was formed on the sample surface after the immersion test, and these changes in the surface state were confirmed by Raman spectroscopy. However, it became difficult to obtain a clear B K-edge XANES spectrum by forming a compound on glass surfaces. The Si K-edge XANES spectra of borosilicate glass frits with different NaO content were measured, and following was confirmed. (1) As the NaO concentration increases in borosilicate glass frit, the K-edge peak of Si shifts to the low energy side. (2) The intensity of the Si K-edge peak is maximum when the NaO content in glass frits was about 7wt%.
Wakui, Takashi; Yamasaki, Kazuhiko*; Futakawa, Masatoshi
Advanced Experimental Mechanics, 7, p.103 - 109, 2022/08
As part of the development of technique to cut and reduce the volume of highly radioactive components in the closed space, pulsed Nd:YAG laser was irradiated to radiation shielding glasses with the different lead content in the different irradiation condition; power and number of irradiation. The large black irradiated area with concave shape and cracks around it occurred with an increase of the lead content, power and number of irradiation. General mechanical properties in unirradiated and irradiated area were investigated to investigate the influence of mechanical properties on the irradiation damage. The thermal impact fracture toughness calculated based on the estimated mechanical properties decreased with increasing the lead content. The micro hardness in black irradiated area was 10% smaller than that in the unirradiated area. The change of the mechanical property due to the laser irradiation was confirmed.
Wakui, Takashi; Yamasaki, Kazuhiko*; Futakawa, Masatoshi
Jikken Rikigaku, 22(2), p.96 - 104, 2022/06
Pulsed laser irradiation and indentation tests on radiation shielding glasses and a lead-free glass were carried out. The size of irradiation damage of the glass with high lead content was larger than that with low content. The micro plastic behavior of glasses was quantitatively determined using the inverse analyses based on indentation results. Flow stress decreased with an increase of lead content and that in irradiated area was lower than that in unirradiated area. On the other hand, plastic flow resistance increased with an increase of the lead content and that in irradiated area was higher than that in unirradiated area. Fracture energy and critical size of plastic zone around tip of crack in unirradiated and irradiated areas were calculated based on experimental results including constants evaluated using the inverse analysis. These values decreased with an increase of the lead content and these values in irradiated area were lower than that in unirradiated area.
-dependent collective relaxation dynamics of glass-forming liquid Ca
K
(NO)
investigated by wide-angle neutron spin-echoLuo, P.*; Zhai, Y.*; Falus, P.*; Garc
a Sakai, V.*; Hartl, M.*; Kofu, Maiko; Nakajima, Kenji; Faraone, A.*; Z, Y.*
Nature Communications (Internet), 13, p.2092_1 - 2092_9, 2022/04
Times Cited Count：3 Percentile：58.88(Multidisciplinary Sciences)Ohashi, Tomonori*; Sakamaki, Tatsuya*; Funakoshi, Kenichi*; Hattori, Takanori; Hisano, Naoki*; Abe, Jun*; Suzuki, Akio*
American Mineralogist, 107(3), p.325 - 335, 2022/03
Times Cited Count：1 Percentile：22.72(Geochemistry & Geophysics)The basaltic glass structure were investigated to 18 GPa using in situ X-ray and neutron diffraction. The O-O coordination number (CN
) starts to rise with maintaining the mean O-O distance (r) above 2-4 GPa, and then CN stops increasing and r begins to shrink along with the increase in the Al-O coordination number (CN
) above 9 GPa. This is interpreted by the change in the contraction mechanism from tetrahedral network bending to oxygen packing ratio increase via the CN increase. The oxygen packing fraction exceeds the value for dense random packing, suggesting that the oxygen-packing hypothesis cannot account for the pressure-induced structural transformations of silica and silicate glasses. The CN increase at 2-4 GPa reflects the elastic softening of silicate glass, which may causes anomalous elastic moduli of basaltic glass at 
2 GPa.
Yamashita, Keishiro*; Komatsu, Kazuki*; Ohara, Takashi; Munakata, Koji*; Irifune, Tetsuo*; Shimmei, Toru*; Sugiyama, Kazumasa*; Kawamata, Toru*; Kagi, Hiroyuki*
High Pressure Research, 42(1), p.121 - 135, 2022/03
Times Cited Count：3 Percentile：58.88(Physics, Multidisciplinary)Motokawa, Ryuhei; Kaneko, Koji; Oba, Yojiro; Nagai, Takayuki; Okamoto, Yoshihiro; Kobayashi, Taishi*; Kumada, Takayuki; Heller, W. T.*
Journal of Non-Crystalline Solids, 578, p.121352_1 - 121352_7, 2022/02
Times Cited Count：3 Percentile：22.84(Materials Science, Ceramics)Nagai, Takayuki; Okamoto, Yoshihiro; Yamagishi, Hirona*; Ota, Toshiaki*; Kojima, Kazuo*; Inose, Takehiko*; Sato, Seiichi*; Hatakeyama, Kiyoshi*
JAEA-Research 2021-010, 62 Pages, 2022/01
JAEA-Research-2021-010.pdf:6.05MB
The local structure of glass-forming elements and waste elements in borosilicate glasses varies with its chemical composition. In this study, borosilicate glass frit and simulated waste glass samples were prepared and the local structure and chemical state regarding boron(B), oxygen(O), silicon(Si) and waste elements of iron(Fe), cesium(Cs) were estimated by using XAFS measurement in soft X-ray region. Following results were obtained by XAFS measurements of prepared glass frit and simulated waste glass samples: (1) The effect of NaO concentration on B-O coordination structure is greater than that of the waste elements concentration. (2) The height of pre-edge by O K-edge spectrum depends on the concentration of first transition elements such as Fe in glass samples. Following results were obtained by XAFS measurements of simulated waste glass samples after immersion test to investigate the long chemical stability. (1) A new compound was formed on the sample surface after the immersion test, and changes in the surface state were confirmed by Raman spectroscopy. (2) Cs on the sample surface after immersion test dissolves into the leaching solution. The Si K-edge XANES spectra of borosilicate glass frits and simulated waste glass samples included lanthanides oxide were measured, and following was confirmed. (1) As the NaO concentration increases in borosilicate glass frit, the K-edge peak of Si shifts to the low energy side. (2) The peak height of the K-edge of Si differs depending on the kind of lanthanide.
Nagai, Takayuki; Okamoto, Yoshihiro; Baba, Yuji*; Akiyama, Daisuke*; Arima, Tatsumi*
Photon Factory Activity Report 2021 (Internet), 2 Pages, 2022/00
no abstracts in English
Nagai, Takayuki; Akiyama, Daisuke*; Kirishima, Akira*; Sato, Nobuaki*; Okamoto, Yoshihiro
2020-Nendo "Busshitsu, Debaisu Ryoiki Kyodo Kenkyu Kyoten" Oyobi "Hito, Kankyo To Busshitsu O Tsunagu Inobeshion Soshutsu Dainamikku, Araiansu" Kenkyu Seika, Katsudo Hokokusho (CD-ROM), 1 Pages, 2021/11
no abstracts in English
Hidaka, Akihide
Proceedings of 2021 International Congress on Advances in Nuclear Power Plants (ICAPP 2021) (USB Flash Drive), 10 Pages, 2021/10
Author recently proposed that the Type A glassy Cesium-bearing microparticles that were released during the Fukushima accident may have been formed by melting and atomization of glass fibers of the High Efficiency Particulate Air (HEPA) filter in the Stand-by Gas Treatment System (SGTS) line in Unit 3 during the hydrogen explosion. In the present study, the components of the Type A and glass fibers of HEPA filter were examined using EPMA. The results showed that the components of the Type A were almost the same as that of the glass fibers except for Cs, Fe, Sn, which are considered to have been contained in the in-vessel-derived particles. When the glass fiber was irradiated with the electron beam of the Electron Probe Micro Analyzer (EPMA) under vacuum condition, spherical particles of a few micro m size were formed that looked very similar to the Type A. These strongly suggest that the HEPA filter is Si source of the Type A.
Kagami, Saya; Yokoyama, Tatsunori; Umeda, Koji*
JAEA-Testing 2021-001, 49 Pages, 2021/08
JAEA-Testing-2021-001.pdf:3.86MB
To make a contribution to safety assessment for geological disposal of high level radioactive and/or TRU waste, we need to assess long-term stability of geological environment and predict long-term changes of geotectonic events that will occur in the future, especially for Quaternary period ( 2.6 million years ago-present). In the most case, we investigate chronological data of geological events by radiometric dating. When some geological samples have no objects to which radiometric dating method can be applied (e.g., zircon, biotite, wood fragments and plant residues), we can use tephrochronology, which is geological dating method using each layer of tephra (erupted volcanic ash), for dating of geological layers. This chronological method is essential in Japan, where volcanism is very active. Tephra is usually characterized by petrographic characteristics and/or chemical composition (mainly major elements) of volcanic glasses and/or minerals in tephra. In Tono Geoscience Center (Japan Atomic Energy Agency), we develop an analytical technique of chemical composition including trace elements of volcanic glasses for detailed tephra identification. In this paper, we report a sample preparation procedure and analytical methods of chemical compositions of individual volcanic glass shards by using an electron probe microanalyzer and a laser ablation-inductively coupled plasma-mass spectrometer.
