Comparative analysis of primary variables selection in modeling non-isothermal two-phase flow; Insights from EBS experiment at Horonobe URL

Kim, M.*; Lee, C.*; 杉田 裕; Kim, J.-S.*; Jeon, M.-K.*

Geomechanics for Energy and the Environment, 41, p.100628_1 - 100628_9, 2025/03

https://doi.org/10.1016/j.gete.2024.100628

この研究では、DECOVALEX-2023プロジェクトの一環として幌延の地下研究施設で実施された実規模大の人工バリア試験の数値解析を使用して、非等温二相流のモデリングに対する主要変数の選択の影響を調査した。検証済みの数値モデルを使用して、人工バリアシステム内の不均質多孔質媒体の熱-水連成挙動を解析した。支配方程式を離散化する際の2つの異なる主要変数スキームを比較したところ、結果に大きな違いがあることが明らかになった。

Suppression of segmental chain dynamics on a particle's surface in well-dispersed polymer nanocomposites

Kim, J.*; Thompson, B. R.*; 富永 大輝*; 大澤 崇人; 江上 毅*; Frster, S.*; Ohl, M.*; Senses, E.*; Faraone, A.*; Wagner, N. J.*

ACS Macro Letters (Internet), 13(6), p.720 - 725, 2024/06

https://doi.org/10.1021/acsmacrolett.4c00168

準弾性中性子散乱(QENS)を用いて、モデルナノ複合材料であるポリエチレンオキシド(PEO)/シリカナノ粒子(NPs)中のポリマー鎖のラウスダイナミクスを調べた。ポリマー鎖の見かけのラウス速度は粒子負荷が増加するにつれて減少した。しかし、数十psの時間スケールでは、不動なセグメント集団の証拠はない。ダイナミクスの鈍化は、NP相間領域における鎖の修正ラウスモデルの観点から解釈される。こうして、バルクのような鎖集団とラウスモードの抑制を特徴とする鎖集団の2つが同定された。相間領域の空間的な広がりは、吸着層の厚さの約2倍、約2nmと見積もられた。これらの結果は、NPs表面における連鎖ダイナミクスの抑制を詳細に説明するものである。これらの結果は、表面効果と閉じ込めに関する関連した洞察であり、十分に分散したNPを有するポリマーナノコンポジット(PNC)のレオロジー特性を理解するための基礎を提供するものである。

Characteristic microstructural phase evolution and the compressive strength development mechanisms of tricalcium silicate pastes under various initial carbonation curing environments

Cho, S.*; Suh, H.*; Im, S.*; Kim, G.*; 兼松 学*; 諸岡 聡; 町田 晃彦*; 菖蒲 敬久; Bae, S.*

Construction and Building Materials, 409, p.133866_1 - 133866_20, 2023/12

https://doi.org/10.1016/j.conbuildmat.2023.133866

The effects of various initial carbonation curing environments on the phase evolution and resulting mechanical characteristics of tricalcium silicate paste were studied. For the analyses of the reaction products and microstructure, synchrotron X-ray diffraction, thermogravimetry, Fourier transform-infrared spectroscopy, scanning electron microscopy with energy dispersive X-ray spectroscopy and high-resolution X-ray computed tomography were utilized. CS cured under carbonation environment pressurized by 0.1 MPa showed excellent mechanical properties owing to the highest degree of reaction and homogeneous generation of CaCO with low-Ca/Si calcium silicate hydrates, resulting in a dense matrix with refined pore structure. CS paste treated under other carbonation conditions underwent deteriorative microstructural phase transitions, including void evolution by decalcification of C-S-H and an inhomogeneous composition of crystalline phases, resulting in inferior properties.

Insight on the mechanical properties of hierarchical porous calcium-silicate-hydrate pastes according to the Ca/Si molar ratio using synchrotron X-ray scattering and nanoindentation test

Im, S.*; Jee, H.*; Suh, H.*; 兼松 学*; 諸岡 聡; Choe, H.*; 西尾 悠平*; 町田 晃彦*; Kim, J.*; Lim, S.*; et al.

Construction and Building Materials, 365, p.130034_1 - 130034_18, 2023/02

https://doi.org/10.1016/j.conbuildmat.2022.130034

Nanocrystalline calcium-silicate-hydrate (C-S-H) is a typical heterogeneous material with a multiscale structure spanning a wide length scale from angstrom to micrometer, and whose structure is determined by the Ca/Si ratio. In this study, we directly applied compressive loads on synthetic C-S-H pastes with Ca/Si ratios of 0.6-1.2 and investigated their mechanical properties using the elastic modulus calculated at three length scale levels (i.e., angstrom to nanometer, micrometer, and millimeter) via in-situ synchrotron X-ray scattering, nanoindentation tests, and strain gauges, respectively. Further, Si nuclear magnetic resonance spectroscopy was conducted on the C-S-H pastes to elucidate the alterations in the silicate polymerization. The experimental results confirmed the deformation behavior of the C-S-H paste with different Ca/Si ratios under external loading, which was demonstrated to be transferred from the surface of the pastes to particles owing to the presence of multiscale pores.

atomic X-ray spectroscopy using a counter-emulsion hybrid method

藤田 真奈美; 長谷川 勝一; 細見 健二; 市川 真也; 市川 裕大; Kim, S.; 七村 拓野; 佐甲 博之; 田村 裕和; 山本 剛史; et al.

Progress of Theoretical and Experimental Physics (Internet), 2022(12), p.123D01_1 - 123D01_17, 2022/12

https://doi.org/10.1093/ptep/ptac156

atomic X-ray spectroscopy is one of the most useful methods for investigation of the -nucleus strong interaction. Since the X-ray energy is shifted and/or broadened due to the -nucleus strong interaction compared to those calculated from electromagnetic interaction alone, the measurement of the energy shift, E, and the width, , give us information on the -nucleus potential. A serious problem in the measurement is the significant background derived from in-flight decay. A novel method of identifying stopped events using the nuclear emulsion was developed to realize the first atomic X-ray spectroscopy experiment as the J-PARC E07 experiment, which also aimed at searching for and hypernuclei in the emulsion. The X-rays emitted from Br and Ag atoms were measured using germanium detectors. No clear peaks were observed in the obtained spectra. However, we succeeded in reducing the background to 1/170 by this method employing coincidence measurements using nuclear emulsion and X-ray detectors.

Local structure analysis of BiFeO-BaTiO solid solutions

米田 安宏; Kim, S.*; 森 茂生*; 和田 智志*

Japanese Journal of Applied Physics, 61(SN), p.SN1022_1 - SN1022_10, 2022/11

https://doi.org/10.35848/1347-4065/ac835d

(1-)BiFeO-BaTiO固溶体の局所構造解析を放射光高エネルギーX線回折実験で得られたデータをPDF解析することによって行った。まず、XAFS実験を行いサンプルスクリーニングを行ったところ、BiFeOリッチな組成での構造揺らぎが大きいことがわかった。そこでBiFeOリッチな組成のサンプルのPDF解析を行った。その結果、平均構造は立方晶構造であるものの局所構造は菱面体晶構造で再現でき、さらに揺らぎの大きな組成では菱面体晶の対称性を破る変位があることがわかった。

Effect of magnesium silicate hydrate (M-S-H) formation on the local atomic arrangements and mechanical properties of calcium silicate hydrate (C-S-H); In situ X-ray scattering study

Kim, G.*; Im, S.*; Jee, H.*; Suh, H.*; Cho, S.*; 兼松 学*; 諸岡 聡; 小山 拓*; 西尾 悠平*; 町田 晃彦*; et al.

Cement and Concrete Research, 159, p.106869_1 - 106869_17, 2022/09

https://doi.org/10.1016/j.cemconres.2022.106869

This study explored the effect of M-S-H formation on the local atomic arrangements and mechanical properties of C-S-H. The elastic moduli of the samples were calculated using shifted atomic distances (r) and d-spacings (d) acquired by applying an external load on the pastes during X-ray scattering experiments. The experimental results indicated that the crystal structure of C-S-H remained intact with MgCl addition. At the highest Mg/Si ratio (Ca/Si = 0.6, Mg/Si = 0.2), change in the dominant phase occurred from C-S-H to M-S-H because the low pH environment hindered the formation of C-S-H and facilitated the formation of M-S-H. The elastic modulus decreased with increasing Mg/Si ratio up to 0.1 owing to both C-S-H destabilization and low M-S-H content in the samples. Conversely, the elastic modulus increased in the paste synthesized with the highest Mg/Si ratio because considerable M-S-H had formed, which exhibited a higher elastic modulus than C-S-H.

Hydrogen absorption and diffusion behaviors in cube-shaped palladium nanoparticles revealed by ambient-pressure X-ray photoelectron spectroscopy

Tang, J.*; Seo, O.*; Rivera Rocabado, D. S.*; 小板谷 貴典*; 山本 達*; 難波 優輔*; Song, C.*; Kim, J.*; 吉越 章隆; 古山 通久*; et al.

Applied Surface Science, 587, p.152797_1 - 152797_8, 2022/06

https://doi.org/10.1016/j.apsusc.2022.152797

水素貯蔵材料として重要な立方体形状Pdナノ粒子の水素吸収と拡散メカニズムをX線光電子分光とDFT計算を用いて調べた。表面領域では粒子の大きさによらず、ほぼ同様の水素吸収挙動を示した。四面体サイトよりも八面体サイトの水素占有率が大きいことがわかった。表面の乱れによってPd-H結合が弱くなるため、小さいサイズのPdナノ粒子に吸収された水素原子は、より活発に粒子内部に拡散することが分かった。これが低水素圧での水素吸着に重要な役割を果たしている。

Violation of the magnonic Wiedemann-Franz law in the strong nonlinear regime

仲田 光樹; 大沼 悠一*; Kim, S. K.*

Physical Review B, 105(18), p.184409_1 - 184409_7, 2022/05

AA2022-0101.pdf:0.35MB

https://doi.org/10.1103/PhysRevB.105.184409

普遍的熱磁気法則「マグノンWiedemann-Franz則」が非線形応答領域において破れることを理論的に解明することに成功した。

Temperature effects on local structure, phase transformation, and mechanical properties of calcium silicate hydrates

Im, S.*; Jee, H.*; Suh, H.*; 兼松 学*; 諸岡 聡; 小山 拓*; 西尾 悠平*; 町田 晃彦*; Kim, J.*; Bae, S.*

Journal of the American Ceramic Society, 104(9), p.4803 - 4818, 2021/09

https://doi.org/10.1111/jace.17881

This study aims to elucidate the effect of heating on the local atomic arrangements, structure, phase transformation, and mechanical properties of synthesized calcium-silicate-hydrate (C-S-H). The alteration in the atomic arrangement of the synthesized C-S-H (Ca/Si = 0.8) and the formation of crystalline phases that occurred in three distinct transformation stages of dehydration (105-200 C), decomposition (300-600 C), and recrystallization (700-1000 C) were investigated via powder X-ray diffraction, Si nuclear magnetic resonance spectroscopy, and thermogravimetric analysis. Further, the deformation of the local atomic bonding environment and variations in mechanical properties during the three stages were assessed via pair distribution function analysis based on in-situ total X-ray scattering. The results revealed that the C-S-H paste before heating exhibited a lower elastic modulus in real space than that in the reciprocal space in the initial loading stage because water molecules acted as a lubricant in the interlayer. At the dehydration stage, the strain as a function of external loading exhibited irregular deformation owing to the formation of additional pores induced by the evaporation of free moisture. At the decomposition stage, the structural deformation of the main d-spacing (d 3.0 ) was similar to that of the real space before the propagation of microcracks. At the recrystallization stage, the elastic modulus increased to 48 GPa owing to the thermal phase transformation of C-S-H to crystalline -wollastonite. The results provide direct experimental evidence of the micro- and nanostructural deformation behavior of C-S-H pastes after exposure to high temperature under external loading.