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論文

Hydrogenation of silicon-bearing hexagonal close-packed iron and its implications for density deficits in the inner core

森 悠一郎*; 鍵 裕之*; 青木 勝敏*; 高野 将大*; 柿澤 翔*; 佐野 亜沙美; 舟越 賢一*

Earth and Planetary Science Letters, 634, p.118673_1 - 118673_8, 2024/05

水素による鉄の体積膨張に対するケイ素の効果を調べるため、高圧高温下でのhcp-Fe$$_{0.95}$$Si$$_{0.05}$$の中性子回折実験とX線回折実験を行った。中性子回折実験は重水素化hcp-Fe$$_{0.95}$$Si$$_{0.05}$$に対して13.5GPa, 900K及び12.1GPa, 300Kで行い、得られたプロファイルからリートベルト解析を用いて水素占有率を決定した。hcp-Fe-SiのP-V-T状態方程式を組み合わせることにより、hcp-Fe$$_{0.95}$$Si$$_{0.05}$$の水素による体積膨張が純粋なhcp鉄の体積膨張よりも10%大きいことを示した。得られた値を用いて、内核の密度欠損を再現できる水素量を見積もったところ、シリコンの影響がない場合に比べて50%減少した。hcp-Fe$$_{0.95}$$Si$$_{0.05}$$で内核の密度欠損を再現した場合、内核と外核で可能な水素量xはそれぞれ0.07と0.12-0.15と計算された。

論文

Field-induced insulator-metal transition in EuTe$$_2$$

竹内 徹也*; 本多 史憲*; 青木 大*; 芳賀 芳範; 木田 孝則*; 鳴海 康雄*; 萩原 政幸*; 金道 浩一*; 軽部 皓介*; 播磨 尚朝*; et al.

Journal of the Physical Society of Japan, 93(4), p.044708_1 - 044708_10, 2024/04

Electrical and magnetic properties of divalent europium antiferromagnet EuTe$$_2$$ are studied on single crystals grown from Te-flux method. Antiferromagnetism occurs at 11 K with an insulating ground state. Application of magnetic field induces a sudden resistance drop leading to a phase transition to metallic state. Energy band calculations reveal the appearance of a Fermi surface pocket with Te-5p character induced by the polarized Eu moments.

論文

Development of a D$$_2$$O/H$$_2$$O vapor generator for contrast-variation neutron scattering

有馬 寛*; 高田 慎一; 笠井 聡*; 大内 啓一*; 森川 利明*; 宮田 登*; 宮崎 司*; 青木 裕之; 岩瀬 裕希*; 廣井 孝介; et al.

Journal of Applied Crystallography, 56(6), p.1802 - 1812, 2023/12

 被引用回数:0 パーセンタイル:0.02(Chemistry, Multidisciplinary)

The contrast-variation technique in neutron scattering experiments plays a pivotal role in distinguishing partial structures within multi-component complexes, facilitating the elucidation of distinct sample constituents. This differentiation is achieved using different isotopes, namely hydrogen and deuterium, which possess varying neutron scattering characteristics. This study presents a novel vapor generator designed for neutron scattering experiments, enabling continuous control of the D$$_2$$O/H$$_2$$O ratio of the vapor. This feature is especially useful for contrast-variation studies. The generator features two saturators and four mass flow controllers, allowing for the rapid and independent generation of D$$_2$$O/H$$_2$$O vapors. Additionally, the incorporation of the two-temperature method ensures accurate dew point control within a margin of $$pm$$0.2$$^{circ}$$Cdp. This setup proves useful for conducting time-resolved experiments and can accelerate research on functional polymers, such as polymer electrolyte membranes for fuel cells, where water potential assumes critical importance.

論文

Microphase separation of cationic homopolymers bearing alkyl ammonium salts into sub-4 nm lamellar materials with water intercalation channels

筋田 涼太*; 今井 彩帆里*; 大内 誠*; 青木 裕之; 寺島 崇矢*

Macromolecules, 56(23), p.9738 - 9749, 2023/12

 被引用回数:0 パーセンタイル:0(Polymer Science)

Constructing ordered ionic nanostructures into bulk polymers and thin films is an important technique to create functional materials, such as polyelectrolytes and proton- and ion-conducting materials, for various applications. Herein, we report microphase separation of cationic homopolymers bearing alkyl ammonium bromides to create sub-4 nm lamellar materials, where an ionic phase is alternatingly layered with a hydrophobic alkyl phase and serves as a channel for water intercalation. We prepared cationic homopolymers with linear or branched alkyl pendants (octyl or 2-ethylhexyl group: C8-eicosyl or 2-octyldodecyl group: C20) via the free radical polymerization of 2-(dimethylamino)ethyl acrylate (DMAEA), followed by the quaternization of the polyDMAEA with corresponding alkyl bromides. The homopolymers carrying linear hexadecyl, octadecyl, and eicosyl groups were crystalline at room temperature, whereas the others were amorphous. The homopolymers bearing linear alkyl pendants longer than the decyl group or branched alkyl pendants larger than the 2-butyloctyl group formed lamellar structures by the self-assembly of the side chains. The domain spacing can be controlled between 2.5 and 3.7 nm by tuning the pendant structures and are smaller than that formed by the corresponding random copolymers. A cationic homopolymer bearing crystalline octadecyl groups maintained lamellar structures up to $$sim$$210 $$^circ$$C far beyond the melting temperature ($$sim$$50 $$^circ$$C). The cationic homopolymer further formed a multilayered lamellar thin film on a silicon substrate, in which the cationic layers absorbed water under humid conditions and reversibly released the water therefrom in a N$$_2$$ gas atmosphere.

論文

Impact of the Ce$$4f$$ states in the electronic structure of the intermediate-valence superconductor CeIr$$_3$$

藤森 伸一; 川崎 郁斗; 竹田 幸治; 山上 浩志; 雀部 矩正*; 佐藤 芳樹*; 清水 悠晴*; 仲村 愛*; Maruya, A.*; 本間 佳哉*; et al.

Electronic Structure (Internet), 5(4), p.045009_1 - 045009_7, 2023/11

The electronic structure of the $$f$$-based superconductor $$mathrm{CeIr_3}$$ was studied by photoelectron spectroscopy. The energy distribution of the $$mathrm{Ce}~4f$$ state was revealed by the $$mathrm{Ce}~3d-4f$$ resonant photoelectron spectroscopy. The $$mathrm{Ce}~4f$$ state was mostly distributed in the vicinity of the Fermi energy, suggesting the itinerant character of the $$mathrm{Ce}~4f$$ state. The contribution of the $$mathrm{Ce}~4f$$ state to the density of states (DOS) at the Fermi energy was estimated to be nearly half of that of the$$mathrm{Ir}~5d$$ states, implying that the $$mathrm{Ce}~4f$$ state has aconsiderable contribution to the DOS at the Fermi energy. The $$mathrm{Ce}~3d$$ core-level and $$mathrm{Ce}~3d$$ X-ray absorption spectra were analyzed based on a single-impurity Anderson model. The number of the $$mathrm{Ce}~4f$$ state in the ground state was estimated to be 0.8-0.9, which is much larger than the values obtained in the previous studies (i.e., 0-0.4).

論文

Strain-induced crystallization and phase separation used for fabricating a tough and stiff slide-ring solid polymer electrolyte

橋本 慧*; 塩飽 透*; 青木 裕之; 横山 英明*; 眞弓 皓一*; 伊藤 耕三*

Science Advances (Internet), 9(47), p.eadi8505_1 - eadi8505_8, 2023/11

 被引用回数:1 パーセンタイル:52.07(Multidisciplinary Sciences)

The demand for mechanically robust polymer-based electrolytes is increasing for applications to wearable devices. Young's modulus and breaking energy are essential parameters for describing the mechanical reliability of electrolytes. The former plays a vital role in suppressing the short circuit during charge-discharge, while the latter indicates crack propagation resistance. However, polymer electrolytes with high Young's moduli are generally brittle. In this study, a tough slide-ring solid polymer electrolyte (SR-SPE) breaking through this trade-off between stiffness and toughness is designed on the basis of strain-induced crystallization (SIC) and phase separation. SIC makes the material highly tough (breaking energy, 80 to 100 megajoules per cubic meter). Phase separation in the polymer enhanced stiffness (Young's modulus, 10 to 70 megapascals). The combined effect of phase separation and SIC made SR-SPE tough and stiff, while these mechanisms do not impair ionic conductivity. This SIC strategy could be combined with other toughening mechanisms to design tough polymer gel materials.

報告書

もんじゅ燃料体取出し作業報告書; 第1段階「燃料体取出し」作業

塩田 祐揮; 工藤 淳貴; 津野 大海; 竹内 遼太郎; 有吉 秀夫; 塩濱 保貴; 浜野 知治; 高木 剛彦; 長沖 吉弘

JAEA-Technology 2023-002, 87 Pages, 2023/06

JAEA-Technology-2023-002.pdf:8.53MB

高速増殖原型炉もんじゅは、2018年から廃止措置に移行し、約30年を経て廃止措置を完了する予定である。なお、廃止措置は4段階に分けて実施する計画である。もんじゅは、原子炉容器及び炉外燃料貯蔵槽(EVST)に多量のナトリウムを保有し、大規模なナトリウム火災との重畳による燃料破損という残留リスクがあった。このため、もんじゅ廃止措置計画の第1段階では約5.5年をかけて「燃料体取出し」作業を実施し、速やかにこれらの燃料体を全て燃料池に貯蔵し残留リスクを排除することとした。燃料体取出し作業では、炉心の燃料体を燃料池に移送し貯蔵することを目的に、炉外燃料貯蔵槽に貯蔵中の燃料体を洗浄し、燃料池に貯蔵する「燃料体の処理」、炉心にある燃料体を模擬燃料体等と交換し、炉外燃料貯蔵槽に貯蔵する「燃料体の取出し」を交互に行い、4キャンペーンに分け炉心に存在する燃料体370体と炉外燃料貯蔵槽に貯蔵されている燃料体160体の計530体の燃料体を全て安全かつ計画通りに燃料池への貯蔵を完了した。本報告書は、第1段階での燃料体取出し作業の総括として、作業の進め方、事前の機器・設備点検やリスク評価といった作業前の準備、キャンペーン内での運転や点検等の作業の実績、作業の評価について取り纏めたものである。

論文

Neutron reflectometry analysis of condensed water layer formation at a solid interface of epoxy resins under high humidity

Liu, Y.*; 宮田 登*; 宮崎 司*; 春藤 淳臣*; 川口 大輔*; 田中 敬二*; 青木 裕之

Langmuir, 39(29), p.10154 - 10162, 2023/06

 被引用回数:1 パーセンタイル:52.07(Chemistry, Multidisciplinary)

Water absorbed by epoxy resins from a humid atmosphere considerably influences their structure and properties. Examining the effects of absorbed water on epoxy resins at their interfaces with solid substrates is crucial because of their adhesive applications in various fields. The spatial distribution of absorbed water in epoxy resin thin films under high humidity was investigated in this study by neutron reflectometry. Water molecules were found to accumulate at the SiO$$_{2}$$/epoxy resin interface after exposure at a relative humidity of 85% for 8 h. The formation of an ca.1 nm-thick condensed water layer was observed, and the thickness of this layer varied with curing conditions of epoxy systems. Furthermore, the water accumulation at the interface was noted to be affected by high-temperature and high-humidity environments. The formation of the condensed water layer is presumed to be related to the features of the polymer layer near the interface. The construction of the interface layer of epoxy resin would be affected by the interface constraint effect on the cross-linked polymer chain during the curing reaction. This study provides essential information for understanding the factors influencing the accumulation of water at the interface in epoxy resins. In the practical application, the process of improving the construction of epoxy resin near the interface would be a reasonable solution to resist the water accumulation in the interface.

論文

Validation of evaluation model for analysis of steam reformer in HTGR hydrogen production plant

石井 克典; 青木 健; 井坂 和義; 野口 弘喜; 清水 厚志; 佐藤 博之

Proceedings of 30th International Conference on Nuclear Engineering (ICONE30) (Internet), 9 Pages, 2023/05

JAEA initiated High Temperature engineering Test Reactor (HTTR) heat application test project to establish coupling technologies between HTGR and a hydrogen production plant necessary to achieve large-scale, low cost, and carbon-free hydrogen production. One important element for the coupling technologies is a system analysis code which can simulate dynamic behavior of a HTGR hydrogen production system to design a plant control system for the effects of circulated helium heat through both facilities. The code is required to deal with a complex system which involves several subsystems and different physics with different timescales. As a first step of the development, we developed a heat and mass balance evaluation model of a helium-heated steam reformer. This report will present the outline of the developed model and simulation results with comparison to the experimental results.

論文

Development of safety design philosophy of HTTR-Heat Application Test Facility

青木 健; 清水 厚志; 野口 弘喜; 倉林 薫; 安田 貴則; 野本 恭信; 飯垣 和彦; 佐藤 博之; 坂場 成昭

Proceedings of 30th International Conference on Nuclear Engineering (ICONE30) (Internet), 9 Pages, 2023/05

本研究では、高温ガス炉と水素製造施設を接続したHTTR(高温工学試験研究炉)-熱利用試験施設に対する安全設計方針を開発した。検討の結果、高圧ガスや可燃性ガスにより想定される災害に対して公衆安全を確保するため、水素製造施設に対しては現行の化学プラントで適用されている法規を適用する安全設計方針を提示した。また、水素製造施設の異常に伴う漏えい可燃性物質の火災爆発や水素製造施設除熱量の変動に対する原子炉施設の通常運転機能の確保等の対策を含め、水素製造施設を接続した原子炉施設特有の安全要件に適合した安全設計方針を提示した。HTTR-熱利用試験施設に対して開発された安全設計方針は、HTTR-熱利用試験施設の基本設計や詳細設計に活用される見込みである。

論文

Development plan for coupling technology between high temperature gas-cooled reactor HTTR and hydrogen production facility, 1; Overview of the HTTR heat application test plan to establish high safety coupling technology

野本 恭信; 水田 直紀; 守田 圭介; 青木 健; 沖田 将一朗; 石井 克典; 倉林 薫; 安田 貴則; 田中 真人; 井坂 和義; et al.

Proceedings of 30th International Conference on Nuclear Engineering (ICONE30) (Internet), 7 Pages, 2023/05

JAEA initiated an HTTR heat application test plan to develop for coupling technology between HTGR and hydrogen production facility. The principal objective of this test plan is to establish the high safety coupling technology for coupling a hydrogen production facility to HTGR through the demonstration of a hydrogen production by the proven technology of methane steam reforming method utilizing the HTTR as a high temperature heat source. The other objective is to develop for coupling equipment such as a high temperature isolation valve, a helium gas circulator and a high temperature insulation pipe. This paper describes the overview of an HTTR heat application test plan such as a draft test schedule and test targets for the demonstration of a hydrogen production. This paper also presents basic specifications of an HTTR heat application test facility such as the HTTR modification strategy, overall system configuration and heat and mass balance at rated test operation for the demonstration of a hydrogen production. Furthermore, the operation plan during the normal start-up and shut-down processes is proposed.

論文

Development plan for coupling technology between high temperature gas-cooled reactor HTTR and Hydrogen Production Facility, 2; Development plan for coupling equipment between HTTR and Hydrogen Production Facility

水田 直紀; 守田 圭介; 青木 健; 沖田 将一朗; 石井 克典; 倉林 薫; 安田 貴則; 田中 真人; 井坂 和義; 野口 弘喜; et al.

Proceedings of 30th International Conference on Nuclear Engineering (ICONE30) (Internet), 6 Pages, 2023/05

High temperature gas-cooled reactor (HTGR) is expected to extend the use of nuclear heat to a wider spectrum of industrial applications such as hydrogen production, high efficiency power generation, etc., due largely to high temperature heat supply capability as well as inherent safe characteristics. Japan Atomic Energy Agency (JAEA) have been contracted by the Agency for Natural Resources and Energy, part of the Ministry of Economy, Trade and Industry (METI) of Japan, to conduct its Hydrogen Production Demonstration Project Utilizing Very High Temperature. The primary objective of this project is to establish "coupling technology" between HTGR and hydrogen production facility in accordance with "Green Growth Strategy Through Achieving Carbon Neutrality in 2050". From this fiscal year, JAEA initiated a program to produce hydrogen using an HTTR (High Temperature Engineering Test Reactor) to develop coupling technologies between HTGR and hydrogen production facility required for a massive, cost-effective and carbon-free hydrogen production technology. This paper describes the development plan for coupling equipment which is required for an HTTR heat application test as coupling technologies between an HTTR and a hydrogen production facility. The coupling equipment is composed of a high temperature isolation valve to prevent the ingress of the flammable gas and/or the leakage of radioactive materials for nuclear facility, a secondary helium gas circulator to feed a high temperature helium gas, and a high temperature insulation pipe to transport of a high temperature helium gas from an Internal Heat Exchanger (IHX) to a hydrogen production facility. The development plan of coupling equipment contains each target and draft schedule.

論文

Hydrogen occupation and hydrogen-induced volume expansion in Fe$$_{0.9}$$Ni$$_{0.1}$$D$$_x$$ at high $$P-T$$ conditions

市東 力*; 鍵 裕之*; 柿澤 翔*; 青木 勝敏*; 小松 一生*; 飯塚 理子*; 阿部 淳*; 齋藤 寛之*; 佐野 亜沙美; 服部 高典

American Mineralogist, 108(4), p.659 - 666, 2023/04

 被引用回数:1 パーセンタイル:64.83(Geochemistry & Geophysics)

Fe$$_{0.9}$$Ni$$_{0.1}$$H$$_x$$(D$$_x$$)の12GPa, 1000Kまでの高温高圧下における相関係と結晶構造をその場X線及び中性子回折測定により明らかにした。今回実験した温度圧力下において、Fe$$_{0.9}$$Ni$$_{0.1}$$H$$_x$$(D$$_x$$)ではFeH$$_x$$(D$$_x$$)とは異なり、重水素原子は面心立方構造(fcc)中の四面体サイトを占有しないことが明らかになった。単位重水素あたりの水素誘起膨張体積$$v_mathrm{D}$$は、fcc相で2.45(4) $AA$^3$$、hcp相で3.31(6) $AA$^3$$であり、FeD$$_x$$におけるそれぞれの値より著しく大きいことが明らかになった。また、$$v_mathrm{D}$$は温度の上昇に伴いわずかに増加した。この結果は、鉄に10%ニッケルを添加するだけで、金属中の水素の挙動が劇的に変化することを示唆している。$$v_mathrm{D}$$が圧力に関係なく一定であると仮定すると、地球内核の最大水素含有量は海洋の水素量の1-2倍であると推定される。

論文

Dynamic exchange of amphiphilic random copolymers between micelles in water; Kinetics and mechanism analyzed by TR-SANS

Hibino, Masayuki*; 高田 慎一; 廣井 孝介; 青木 裕之; 寺島 崇矢*

Macromolecules, 56(8), p.2955 - 2964, 2023/04

 被引用回数:0 パーセンタイル:0(Polymer Science)

Amphiphilic random copolymers bearing poly(ethylene glycol) (PEG) and alkyl groups as side chains are intermolecularly self-assembled into size-controlled multichain micelles in water. The random copolymer micelles are known to induce the exchange of their polymer chains, whereas the details of the kinetics and mechanism have not been elucidated yet. Herein, we investigated the exchange kinetics and mechanism of the random copolymer chains between their micelles by time-resolved small-angle neutron scattering (TR-SANS). For this purpose, random copolymers carrying PEG and deuterated butyl or dodecyl groups were designed for deuterated micelles. After mixing deuterated and non-deuterated micelle solutions, the resulting mixtures were monitored by TR-SANS at various concentrations and temperatures. The scattering intensity of the micelle mixtures decayed with time, indicating that deuterated copolymers were gradually mixed with non-deuterated copolymers via chain exchange between their micelles to form micelles consisting of both deuterated and non-deuterated copolymers. The kinetic analysis revealed that the exchange of their polymer chains involved two mechanisms: A unimer release and insertion pathway was dominant in diluted conditions, whereas the contribution of a micelle collision pathway increased with increasing total polymer concentration and temperature. The activation energy of the polymer exchange process was dependent on the hydrophobic alkyl groups and larger than that of a related surfactant micelle.

論文

Neutron reflectivity study on the nanostructure of PMMA chains near substrate interfaces based on contrast variation accompanied with small molecule sorption

下北 啓輔*; 山本 勝宏*; 宮田 登*; 中西 洋平*; 柴田 基樹*; 竹中 幹人*; 山田 悟史*; 瀬戸 秀樹*; 青木 裕之; 宮崎 司*

Soft Matter, 19(11), p.2082 - 2089, 2023/03

 被引用回数:0 パーセンタイル:0(Chemistry, Physical)

In the case of poly(methyl methacrylate) (PMMA) thin films on a Si substrate, thermal annealing induces the formation of a layer of PMMA chains tightly adsorbed near the substrate interface, and the strongly adsorbed PMMA remains on the substrate, even after washing with toluene (hereinafter called adsorbed sample). Neutron reflectometry revealed that the concerned structure consists of three layers: an inner layer (tightly bound on the substrate), a middle layer (bulk-like), and an outer layer (surface) in the adsorbed sample. When an adsorbed sample was exposed to toluene vapor, it became clear that, between the solid adsorption layer (which does not swell) and bulk-like swollen layer, there was a "buffer layer" that could sorb more toluene molecules than the bulk-like layer. This buffer layer was found not only in the adsorbed sample but also in the standard spin-cast PMMA thin films on the substrate. When the polymer chains were firmly adsorbed and immobilized on the Si substrate, the freedom of the possible structure right next to the tightly bound layer was reduced, which restricted the relaxation of the conformation of the polymer chain strongly. The "buffer layer" was manifested by the sorption of toluene with different scattering length density contrasts.

論文

Magnetic properties of single crystalline Tb$$_5$$Sb$$_3$$

北折 暁*; 金澤 直也*; 木田 孝則*; 鳴海 康雄*; 萩原 政幸*; 金道 浩一*; 竹内 徹也*; 仲村 愛*; 青木 大*; 芳賀 芳範; et al.

Journal of the Physical Society of Japan, 92(2), p.024702_1 - 024702_6, 2023/02

 被引用回数:0 パーセンタイル:0(Physics, Multidisciplinary)

Magnetic properties of Tb$$_5$$Sb$$_3$$ are reported. Unlike previous investigations on a polycrystal showing multiple phase transitions, the present single crystal sample shows a single transition 133 K. It is also shown that the magnetic hysteresis increases at low temperatures.

論文

LASSO reconstruction scheme to predict radioactive source distributions inside reactor building rooms; Practical applications

町田 昌彦; Shi, W.*; 山田 進; 宮村 浩子; 吉田 亨*; 長谷川 幸弘*; 岡本 孝司; 青木 勇斗; 伊藤 倫太郎; 山口 隆司; et al.

Proceedings of Waste Management Symposia 2023 (WM2023) (Internet), 11 Pages, 2023/02

In order to find radioactive hot spots inside reactor building rooms from structural data together with air dose rate measurement data, Least Absolute Shrinkage and Selection Operator (LASSO) has been recently suggested as a promising scheme. The scheme has been examined in simplified room models and its high estimation feasibility has been confirmed by employing Particle and Heavy Ion Transport code System (PHITS) as a radiation simulation code. In this paper, we apply the scheme to complex room models inside real reactor buildings. The target rooms are pool canal circulation system room and main circulation system room in Japan Materials Testing Reactor (JMTR) at Oarai area, Japan Atomic Energy Agency (JAEA). In these real rooms, we create STL format structural data based on Computer Aided Design (CAD) models made directly from their point group data measured by laser scanning devices, and we notice that the total number of their surface meshes in these real rooms reaches to the order of 1 million. Then, this order of the mesh number clearly indicates that one needs a simplified radiation simulation code considering only direct transmission of gamma ray as a radiation calculation instead of PHITS demanding high computational costs. By developing such a simplified code and customizing it to perform LASSO scheme, we consequently confirm that LASSO scheme driven by the simplified simulation can also successfully predict unknown radioactive hot spots on real structural models.

論文

Free-surface flow simulations with floating objects using lattice Boltzmann method

渡辺 勢也*; 河原 淳*; 青木 尊之*; 杉原 健太; 高瀬 慎介*; 森口 周二*; 橋本 博公*

Engineering Applications of Computational Fluid Mechanics, 17(1), p.2211143_1 - 2211143_23, 2023/00

 被引用回数:1 パーセンタイル:61.52(Engineering, Multidisciplinary)

津波氾濫や大雨の斜面災害では、多くの浮遊物や流木、丸太などが流れに含まれる。剛体衝突による構造物の被害は、水圧による被害よりも深刻である。浮遊物体を含む自由表面流れを研究するためには、大規模計算が可能で高性能な自由表面流のシミュレーションコードの開発が必要となる。本研究ではキュムラント格子ボルツマン法と粒子ベースの剛体シミュレーションを組み合わせた単相自由表面モデルを提案する。剛体間の接触相互作用は個別要素法で計算される。解析精度の向上と計算の高速化のために8分木ベースの局所細分化格子法を導入し、自由表面や固体表面近傍には高解像度の格子を割り当てた。提案モデルの精度検証のために、八戸工業大学と神戸大学の15m水槽と70m水槽で2種類の津波実験を行った。シミュレーションの結果、漂流速度、捕捉木片数、積層角について実験と良い一致を示した。

論文

Interfacial distribution of Nafion ionomer thin films on nitrogen-modified carbon surfaces

吉宗 航*; Kikkawa, Nobuaki*; Yoneyama, Hiroaki*; Takahashi, Naoko*; Minami, Saori*; Akimoto, Yusuke*; Mitsuoka, Takuya*; Kawaura, Hiroyuki*; Harada, Masashi*; 山田 悟史*; et al.

ACS Applied Materials & Interfaces, 14(48), p.53744 - 53754, 2022/11

 被引用回数:6 パーセンタイル:59.75(Nanoscience & Nanotechnology)

Chemically modified carbon supports for the cathode catalyst layers of polymer electrolyte fuel cells (PEFCs) show considerable promise for boosting the oxygen reduction reaction. This study evaluated the ionomer distribution of Nafion ionomer thin films on nitrogen (N)-modified carbon surfaces along their depth direction. Neutron reflectivity (NR) measurements performed using the double-contrast technique with H$$_{2}$$O and D$$_{2}$$O revealed that the introduction of N functional groups to carbon thin films promoted ionomer adsorption onto the surface under wet conditions (22$$^{circ}$$C, 85% relative humidity). Molecular dynamics (MD) simulations conducted to verify the origin of the robust contact between the ionomer and N-modified carbon surface revealed an ionomer adsorption mechanism on the N-modified carbon surfaces, which involved Coulomb interactions between the positively charged carbon surface and the ionomer side chains with negatively charged sulfonic acid groups. The positive surface charge, which was determined using the contents of the N functional groups estimated by X-ray photoelectron spectroscopy, was found to be sufficient as an impetus for ionomer adsorption. This strategy involving NR measurements and MD simulations can provide insights into the solid-ionomer interfacial structures in a cathode catalyst layer and can therefore be extensively employed in studies on PEFCs.

論文

Neutron reflectivity study on the suppression of interfacial water accumulation between a polypropylene thin film and Si substrate using a silane-coupling agent

下北 啓輔*; 山本 勝宏*; 宮田 登*; 有馬 寛*; 中西 洋平*; 竹中 幹人*; 柴田 基樹*; 山田 悟史*; 瀬戸 秀樹*; 青木 裕之; et al.

Langmuir, 38(41), p.12457 - 12465, 2022/10

 被引用回数:0 パーセンタイル:0(Chemistry, Multidisciplinary)

We measured the neutron reflectivity (NR) of isotactic polypropylene (PP) thin films deposited on Si substrates modified by hexamethyldisilazane (HMDS) at the saturated vapor pressure of deuterated water at 25$$^{circ}$$C and 60$$^{circ}$$C/85% RH to investigate the effect of HMDS on the interfacial water accumulation in PP-based polymer/inorganic filler nanocomposites and metal/resin bonding materials. We found that the amount of water accumulated at the PP/Si interface decreased with increasing immersion time of the Si substrate in a solution of HMDS in hexane prior to PP film deposition. During the immersion of the Si substrate, the HMDS molecules were deposited on the Si substrate as a monolayer without aggregation. Furthermore, the coverage of the HMDS monolayer on the Si substrate increased with increasing immersion time. At 60$$^{circ}$$C and 85% RH, only a slight amount of interfacial water was detected after HMDS treatment for 1200 min. As a result, the maximum concentration of interfacial water was reduced to 0.1 from 0.3, where the latter corresponds to the PP film deposited on the untreated substrate.

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