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論文

Enhanced strength and ductility in an additively manufactured Al10SiMg alloy at cryogenic temperatures

Naeem, M.*; Rehman, A. U.*; Romero Resendiz, L.*; Salamci, E.*; Aydin, H.*; Ansari, P.*; Harjo, S.; Gong, W.; Wang, X.-L.*; 他3名*

Communications Materials (Internet), 6, p.65_1 - 65_13, 2025/04

The need for lightweight materials with mechanical integrity at ultralow temperatures drives the development of advanced alloys for cryogenic use. Additive manufacturing via laser powder bed fusion (LPBF) offers a scalable way to create alloys with tailored properties. Here, we show that LPBF-processed Al10SiMg exhibits a high ultimate tensile strength (395 MPa) and uniform elongation (25%) at 15 K. These enhancements stem from grain refinement, increased geometrically necessary dislocations, and stress partitioning between the Al matrix and the stiffer Si phase, aiding strain accommodation. ${it In-situ}$ neutron diffraction reveals that the Si phase, with its higher yield strength, bears most of the load, while the Al matrix undergoes continuous strain hardening, extending deformation capacity. These results highlight Al10SiMg's promise for cryogenic applications such as hydrogen storage, aerospace, and quantum computing hardware.

論文

Unusual low-temperature ductility increase mediated by dislocations alone

Naeem, M.*; Ma, Y.*; Tian, J.*; Kong, H.*; Romero-Resendiz, L.*; Fan, Z.*; Jiang, F.*; Gong, W.; Harjo, S.; Wu, Z.*; et al.

Materials Science & Engineering A, 924, p.147819_1 - 147819_10, 2025/02

 被引用回数:0 パーセンタイル:0.00(Nanoscience & Nanotechnology)

Face-centered cubic (fcc) medium-/high-entropy alloys (M/HEAs) typically enhance strength and ductility at cryogenic temperatures via stacking faults, twinning, or martensitic transformation. However, in-situ neutron diffraction on VCoNi MEA at 15 K reveals that strain hardening is driven solely by rapid dislocation accumulation, without these mechanisms. This results in increased yield strength, strain hardening, and fracture strain. The behavior, explained by the Orowan equation, challenges conventional views on cryogenic strengthening in fcc M/HEAs and highlights the role of dislocation-mediated plasticity at low temperatures.

論文

High-pressure polymerization of phenol toward degree-4 carbon nanothread

Yang, X.*; Che, G.*; Wang, Y.*; Zhang, P.*; Tang, X.*; Lang, P.*; Gao, D.*; Wang, X.*; Wang, Y.*; 服部 高典; et al.

Nano Letters, 25(3), p.1028 - 1035, 2025/01

 被引用回数:1 パーセンタイル:0.00(Chemistry, Multidisciplinary)

飽和sp$$^3$$-カーボンナノスレッド(CNTh)は、その高いヤング率と熱伝導率が予測され、大きな関心を集めている。中心環へのヘテロ原子の導入がCNThの形成に影響を与え、化学的に均質な生成物が得られることが示されているが、ペンダント基が重合プロセスに与える影響については、まだ未解明である。本研究では、フェノールの圧力誘起重合を調べ、0.5GPaと4GPa以下で起こる2つの相転移を明らかにした。20GPa以上では、フェノールは水酸基とカルボニル基を持つ重合度4のCNTに重合する。ヒドロキシル基の水素移動は、重合度6のナノスレッドの形成を妨げることがわかった。この発見は、さらなるカラム内重合を阻止する水酸基の重要な役割を浮き彫りにし、今後のメカニズム研究やナノ材料合成に貴重な示唆を与えるものである。

論文

Pressure-induced polymerization of 1,4-difluorobenzene towards fluorinated diamond nanothreads

Che, G.*; Fei, Y.*; Tang, X.*; Zhao, Z.*; 服部 高典; 阿部 淳*; Wang, X.*; Ju, J.*; Dong, X.*; Wang, Y.*; et al.

Physical Chemistry Chemical Physics, 27(2), p.1112 - 1118, 2025/01

 被引用回数:3 パーセンタイル:65.57(Chemistry, Physical)

芳香族分子の圧力誘起重合(PIP)は、様々な炭素系材料を合成するための効果的な方法として浮上してきた。目的とする構造や機能を得るためには、適切な官能基化された分子前駆体の選択が極めて重要である。本研究では、1,4-ジフルオロベンゼン(1,4-DFB)をPIPの構成要素として選択した。1,4-DFBをその場高圧で調べた結果、約12.0GPaで相転移が起こり、18.7GPaで不可逆的な化学反応が起こることがわかった。生成物の構造解析と反応のカイネティクスから、直線的な成長を伴う擬六方晶積層フッ素ダイヤモンドナノスレッドの形成が明らかになった。高圧下のベンゼンの結晶構造と比較して、1,4-DFBは[001]軸に沿って高い圧縮を示す。この異方的な圧縮は、[01$$overline{1}$$]軸に沿ったより強いH$$cdot cdot cdot pi$$相互作用と、[100]軸と[010]軸に沿った潜在的な圧縮阻害H$$cdot cdot cdot$$F相互作用に起因し、[01$$overline{1}$$]軸に沿った可能な反応経路を促進する。この研究は、分子スタッキングを調節し、反応経路に影響を与える官能基化の重要な役割を強調している。

論文

Solid-state Alder-ene reaction of 1-hexene under high pressure

Xu, J.*; Lang, P.*; Liang, S.*; Zhang, J.*; Fei, Y.*; Wang, Y.*; Gao, D.*; 服部 高典; 阿部 淳*; Dong, X.*; et al.

Journal of Physical Chemistry Letters (Internet), p.2445 - 2451, 2025/00

 被引用回数:0 パーセンタイル:0.00(Chemistry, Physical)

アルダー-エン反応は、アルケンとアリル水素との化学反応であり、C-C結合を構築する効率的な方法である。従来、この反応には触媒、高温、あるいは光触媒が必要であった。本研究では、触媒を用いずに室温下で加圧することで成功した1-ヘキセンのアルダー-エン反応を報告する。1-ヘキセンは4.3GPaで結晶化し、18GPaで重合してオレフィンを形成する。ガスクロマトグラフィー-質量分析法により、1-ヘキセンが高圧下でのアルダー-エン反応により二量体を生成することを発見した。その場中性子回折から、この反応過程はトポケミカル則に従わないことがわかった。理論計算により、1つのC-H $$sigma$$結合と2つのアルケン$$pi$$結合を含む6員環遷移状態が示され、そのエネルギーは20GPaまで圧縮すると明らかに減少した。本研究は、触媒を用いずに室温でアルダー-エン反応を実現する新規かつ有望な方法を提供し、この重要な反応の応用を拡大するものである。

論文

Strong low-energy rattling modes enabled liquid-like ultralow thermal conductivity in a well-ordered solid

Liu, P.-F.*; Li, X.*; Li, J.*; Zhu, J.*; Tong, Z.*; 古府 麻衣子*; 楡井 真実; Xu, J.*; Yin, W.*; Wang, F.*; et al.

National Science Review, 11(12), p.nwae216_1 - nwae216_10, 2024/12

 被引用回数:12 パーセンタイル:91.22(Multidisciplinary Sciences)

Crystalline solids exhibiting inherently low lattice thermal conductivity ($$kappa_{rm L}$$) are of great importance in applications such as thermoelectrics and thermal barrier coatings. However, $$kappa_{rm L}$$ cannot be arbitrarily low and is limited by the minimum thermal conductivity related to phonon dispersions. In this work, we report the liquid-like thermal transport in a well-ordered crystalline CsAg$$_5$$Te$$_3$$, which exhibits an extremely low $$kappa_{rm L}$$ value of $$sim$$ 0.18 Wm$$^{-1}$$K$$^{-1}$$. On the basis of first-principles calculations and inelastic neutron scattering measurements, we find that there are lots of low-lying optical phonon modes at $$sim$$ 3.1 meV hosting the avoided-crossing behavior with acoustic phonons. These strongly localized modes are accompanied by weakly bound rattling Ag atoms with thermally induced large amplitudes of vibrations. Using the two-channel model, we demonstrate that coupling of the particle-like phonon modes and the heat-carrying wave-like phonons is essential for understanding the low $$kappa_{rm L}$$, which is heavily deviated from the $$1/T$$ temperature dependence of the standard Peierls theory. In addition, our analysis indicates that the soft structural framework with liquid-like motions of the fluctuating Ag atoms is the underlying cause that leads to the suppression of the heat conduction in CsAg$$_5$$Te$$_3$$. These factors synergistically account for the ultralow $$kappa_{rm L}$$ value. Our results demonstrate that the liquid-like heat transfer could indeed exist in a well-ordered crystal.

論文

Brightening triplet excitons enable high-performance white-light emission in organic small molecules via integrating n-$$pi^*/pi$$-$$pi^*$$ transitions

Yang, Q.*; Yang, X.*; Wang, Y.*; Fei, Y.*; Li, F.*; Zheng, H.*; Li, K.*; Han, Y.*; 服部 高典; Zhu, P.*; et al.

Nature Communications (Internet), 15, p.7778_1 - 7778_9, 2024/09

 被引用回数:9 パーセンタイル:88.46(Multidisciplinary Sciences)

明るい一重項励起子と三重項励起子を同時に発現する発光材料は、オプトエレクトロニクス、サイネージ、情報暗号化において大きな可能性を秘めている。しかしながら、高性能の白色発光を実現するためには、蛍光と燐光の寄与が不均衡であることが大きな障害となっている。ここでは、水素結合の協同効果による圧力処理エンジニアリングによって、n-$$pi^*/pi$$-$$pi^*$$遷移の混合を実現し、イソフタル酸(IPA)中で三重項状態の発光を7%から40%に高めることで、この課題に対処した。加圧処理したIPAでは、蛍光と燐光のハイブリッドに基づく優れた白色発光が得られ、フォトルミネッセンス量子収率は当初の19%(青色発光)から75%に増加した。その場での高圧IRスペクトル、X線回折、中性子回折から、圧力の上昇に伴い水素結合が連続的に強化されることが明らかになった。さらに、この強化された水素結合は、圧力処理後も常圧条件下まで保持され、バランスの取れた一重項/三重項励起子集団のための効率的な系間交差を目的としたIPAに与え、効率的な白色発光をもたらした。この研究は、有機低分子の三重項状態を明るくするルートを提案するだけでなく、一重項励起子と三重項励起子の比率を調節して、高性能の白色発光を構築するものである。

論文

Antiferromagnetism and phase stability of CrMnFeCoNi high-entropy alloy

Zhu, L.*; He, H.*; Naeem, M.*; Sun, X.*; Qi, J.*; Liu, P.*; Harjo, S.; 中島 健次; Li, B.*; Wang, X.-L.*

Physical Review Letters, 133(12), p.126701_1 - 126701_6, 2024/09

 被引用回数:1 パーセンタイル:48.32(Physics, Multidisciplinary)

It has long been suspected that magnetism could play a vital role in the phase stability of multi- component high-entropy alloys. However, the nature of the magnetic order, if any, has remained elusive. Here, by using elastic and inelastic neutron scattering, we demonstrate evidence of antiferromagnetic order below $$sim$$80 K and strong spin fluctuations persisting to room temperature in a single-phase face-centered cubic (fcc) CrMnFeCoNi high-entropy alloy. Despite the chemical complexity, the magnetic structure in CrMnFeCoNi can be described as $$gamma$$-Mn-like, with the magnetic moments confined in alternating (001) planes and pointing toward the $$langle$$111$$rangle$$ direction. Combined with first-principles calculation results, it is shown that the antiferromagnetic order and spin fluctuations help stabilized the fcc phase in CrMnFeCoNi high-entropy alloy.

論文

Anomalous dislocation response to deformation strain in CrFeCoNiPd high-entropy alloys with nanoscale chemical fluctuations

Ying, H.*; Yang, X.*; He, H.*; Yan, A.*; An, K.*; Ke, Y.*; Wu, Z.*; Tang, S.*; Zhang, Z.*; Dong, H.*; et al.

Scripta Materialia, 250, p.116181_1 - 116181_7, 2024/09

 被引用回数:1 パーセンタイル:41.92(Nanoscience & Nanotechnology)

Nanoscale chemical fluctuations and their effect on the deformation behavior of CrFeCoNi-based high-entropy alloys (HEAs) were investigated using small-angle scattering and in situ neutron diffraction measurements. Small-angle scattering results demonstrated the presence of nano ($$>$$10 nm) chemical fluctuations in the as-prepared CrFeCoNiPd HEAs, which was attributed to the negative mixing of enthalpy and the significant atomic radius difference between Pd and the constituent elements in the CrFeCoNi-based alloys. Subsequent tensile tests demonstrated that the yield and tensile strengths of the as-prepared CrFeCoNiPd HEA surpass those of the as-prepared CrMnFeCoNi HEA. Neutron diffraction data analysis revealed an anomalous response of dislocation evolution with the strain.

論文

Application of neutron characterization techniques to metallic structural materials

Wang, Y.*; Gong, W.; Su, Y. H.; Li, B.*

Acta Metallurgica Sinica, 60(8), p.1001 - 1016, 2024/08

 被引用回数:1 パーセンタイル:41.92(Metallurgy & Metallurgical Engineering)

The correlation between the atomic structure, microstructure, and macroscopic properties of structural materials remains a core issue in materials research. In recent years, substantial progress has been achieved in constructing accelerator-based neutron sources and related experimental techniques, offering a robust platform for an in-depth understanding of the aforementioned correlation under real-time and in situ conditions. This article reviews the latest advancements in the application of major neutron characterization techniques, including neutron diffraction, Bragg-edge imaging, small-angle neutron scattering, pair distribution function analysis, and quasi-elastic/inelastic neutron scattering, in structural materials. Furthermore, it particularly highlights the origins and evolution of internal stresses during the phase transformations of steels, deformation mechanisms in light metals such as magnesium alloys, and microstructure and residual stress analyses using Bragg-edge imaging. Finally, a brief outlook on future development trends is provided.

論文

Progress of material characterization techniques based on neutron Bragg-edge transmission imaging

Wang, Y. W.*; 徐 平光; Su, Y. H.; Ma, Y. L.*; Wang, H. H.*

Physics Examination and Testing, 42(4), p.32 - 41, 2024/08

With the rapid technological development of large spallation neutron source facilities, the neutron beam flux obtained has been greatly improved and neutron imaging techniques have been further developed. Due to the limitation of neutron beam flux, conventional neutron imaging techniques require neutron beams with a wide wavelength range to obtain relatively high neutron beam flux conditions. Recently, spallation neutron sources using large proton accelerators have made it possible to obtain high-flux pulsed neutron beams. Energy (wavelength) resolved neutron imaging technique based on the Bragg edge effect (neutron Bragg edge transmission imaging technique) is expected to have a wide range of applications because of its high energy resolution, high spatial resolution, and ability to detect crystallographic information. The basic principle of this technique is briefly introduced. Several applications in the evaluation of residual strain, phase composition, dislocation density, and oriented structure are also reviewed to play an active role in promoting the wider applications of related technique.

論文

Dual nanoprecipitation and nanoscale chemical heterogeneity in a secondary hardening steel for ultrahigh strength and large uniform elongation

Wang, S.*; Wang, J.*; Zhang, S.*; Wei, D.*; Chen, Y.*; Rong, X.*; Gong, W.; Harjo, S.; Liu, X.*; Jiao, Z.*; et al.

Journal of Materials Science & Technology, 185, p.245 - 258, 2024/06

 被引用回数:15 パーセンタイル:97.90(Materials Science, Multidisciplinary)

Nanoprecipitates and nanoscale retained austenite (RA) with suitable stability play crucial roles in determining the yield strength (YS) and ductility of ultrahigh strength steels (UHSSs). However, owing to the kinetics incompatibility between nanoprecipitation and austenite reversion, it is highly challenging to simultaneously introduce high-density nanoprecipitates and optimized RA in UHSSs. In this work, through the combination of austenite reversion treatment (ART) and subsequent flash austenitizing (FA), nanoscale chemical heterogeneity was successfully introduced into a low-cost UHSS prior to the aging process. This chemical heterogeneity involved the enrichment of Mn and Ni in the austenite phase. The resulting UHSS exhibited dual-nanoprecipitation of Ni(Al,Mn) and (Mo,Cr)$$_{2}$$ C and nanoscale austenite stabilized via Mn and Ni enrichment. The hard martensitic matrix strengthened by high-density dual-nanoprecipitates constrains the plastic deformation of soft RA with a relatively low fraction, and the presence of relatively stable nanoscale RA with adequate Mn and Ni enrichment leads to a marginal loss in YS but keeps a persistent transformation-induced plasticity (TRIP) effect. As a result, the newly-developed UHSS exhibits an ultrahigh YS of 1.7 GPa, an ultimate tensile strength (UTS) of 1.8 GPa, a large uniform elongation (UE) of 8.5 percent, and a total elongation (TE) of 13 percent. The strategy of presetting chemical heterogeneity to introduce proper metastable phases before aging can be extended to other UHSSs and precipitation-hardened alloys.

論文

Microscopic insights of the extraordinary work-hardening due to phase transformation

Ma, Y.*; Naeem, M.*; Zhu, L.*; He, H.*; Sun, X.*; Yang, Z.*; He, F.*; Harjo, S.; 川崎 卓郎; Wang, X.-L.*

Acta Materialia, 270, p.119822_1 - 119822_13, 2024/05

 被引用回数:9 パーセンタイル:95.42(Materials Science, Multidisciplinary)

We report an in situ neutron diffraction study of 316 L that reveals an extraordinary work-hardening rate (WHR) of $$sim$$7 GPa at 15 K. Detailed analyses show that the major contribution to the excellent strength and ductility comes from the transformation-induced plasticity (TRIP) effect, introduced by the austenite-to-martensite ($$gamma$$-to-$$alpha$$') phase transition. A dramatic increase in the WHR is observed along with the transformation; the WHR declined when the austenite phase is exhausted. During plastic deformation, the volume-fraction weighted phase stress and stress contribution from the $$alpha$$'-martensite increase significantly. The neutron diffraction data further suggest that the $$gamma$$-to-$$alpha$$' phase transformation was mediated by the $$varepsilon$$-martensite, as evidenced by the concurrent decline of the $$varepsilon$$ phase with the $$gamma$$ phase.

論文

Archie's cementation factors for natural rocks; Measurements and insights from diagenetic perspectives

Yuan, X.*; Hu, Q. H.*; Fang, X.*; Wang, Q. M.*; Ma, Y.*; 舘 幸男

Sedimentary Geology, 465, p.106633_1 - 106633_14, 2024/05

 被引用回数:0 パーセンタイル:0.00(Geology)

Archie's cementation factor, m, is a critical parameter for petrophysical studies, and the value is influenced by several factors such as the shape, type, and size of grains, degrees of diagenesis, and associated pore structure. Using integrated experimental and theoretical approaches, the goal of this study is to obtain the cementation factor of rocks (both reservoir rock and caprock) and assess the impact of diagenesis processes on the values of the cementation factor. Thirteen samples of geologically diverse rocks (six mudstones, four fossiliferous limestones, two marbles, and one sandstone) were selected to achieve these research objectives. Two approaches, the diffusion of gas tracers and the Bosanquet formula calculation using pore-throat sizes from mercury intrusion porosimetry analyses, were used to derive the cementation factors of these rock samples. These rocks were categorized into two groups based on the correlation between average pore-throat diameter and diffusivity, and an exponential-law relationship between the cementation factor and porosity was determined for these sample groups. In addition, thin-section petrography and field emission-scanning electron microscopy observations were utilized to investigate diagenetic processes, with four diagenetic patterns being established: (1) strong compaction, strong cementation, and weak dissolution-diagenesis pattern; (2) weak compaction, medium cementation, and weak dissolution-diagenesis pattern; (3) weak compaction, medium cementation, and strong dissolution-diagenesis pattern; and (4) fracture-matrix pattern. The results indicated that diagenetic processes and microfractures contribute to the variability in the cementation factors in these rock samples.

論文

Crystal-liquid duality driven ultralow two-channel thermal conductivity in $$alpha$$-MgAgSb

Li, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; 古府 麻衣子; 中島 健次; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.

Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03

 被引用回数:7 パーセンタイル:91.57(Physics, Applied)

The desire for intrinsically low lattice thermal conductivity ($$kappa_L$$) in thermoelectrics motivates numerous efforts on understanding the microscopic mechanisms of heat transport in solids. Here, based on theoretical calculations, we demonstrate that $$alpha$$-MgAgSb hosts low-energy localized phonon bands and avoided crossing of the rattler modes, which coincides with the inelastic neutron scattering result. Using the two-channel lattice dynamical approach, we find, besides the conventional contribution ($$sim$$70% at 300 K) from particlelike phonons propagating, the coherence contribution dominated by the wavelike tunneling of phonons accounts for $$sim$$30% of total $$kappa_L$$ at 300 K. By considering dual contributions, our calculated room-temperature $$kappa_L$$ of 0.64 Wm$$^{-1}$$K$$^{-1}$$ well agrees with the experimental value of 0.63 Wm$$^{-1}$$K$$^{-1}$$. More importantly, our computations give a nonstandard $$kappa_L propto T^{-0.61}$$ dependence, perfectly explaining the abnormal temperature-trend of $$sim T^{-0.57}$$ in experiment for $$alpha$$-MgAgSb. By molecular dynamics simulation, we reveal that the structure simultaneously has soft crystalline sublattices with the metavalent bonding and fluctuating liquid-like sublattices with thermally induced large amplitude vibrations. These diverse forms of chemical bonding arouse mixed part-crystal part-liquid state, scatter strongly heat-carrying phonons, and finally produce extremely low $$kappa_L$$. The fundamental research from this study will accelerate the design of ultralow-$$kappa_L$$ materials for energy-conversion applications.

論文

Development of wide range photon detection system for muonic X-ray spectroscopy

水野 るり恵*; 新倉 潤*; 齋藤 岳志*; 松崎 禎市郎*; 櫻井 博儀*; Amato, A.*; 浅利 駿介*; Biswas, S.*; Chiu, I.-H.; Gianluca, J.*; et al.

Nuclear Instruments and Methods in Physics Research A, 1060, p.169029_1 - 169029_14, 2024/03

 被引用回数:2 パーセンタイル:46.61(Instruments & Instrumentation)

We have developed a photon detection system for muonic X-ray spectroscopy. The detector system consists of high-purity germanium detectors with BGO Compton suppressors. The signals from the detectors are readout with a digital acquisition system. The absolute energy accuracy, energy and timing resolutions, photo-peak efficiency, the performance of the Compton suppressor, and high count rate durability are studied with standard $$gamma$$-ray sources and in-beam experiment using $$^{27}$$Al($$p,gamma$$)$$^{28}$$Si resonance reaction. The detection system was demonstrated at Paul Scherrer Institute. A calibration method for a photon detector at a muon facility using muonic X-rays of $$^{197}$$Au and $$^{209}$$Bi is proposed.

論文

Onset of collectivity for argon isotopes close to $$N=32$$

Linh, B. D.*; Corsi, A.*; Gillibert, A.*; Obertelli, A.*; Doornenbal, P.*; Barbieri, C.*; Duguet, T.*; G$'o$mez-Ramos, M.*; Holt, J. D.*; Hu, B. S.*; et al.

Physical Review C, 109(3), p.034312_1 - 034312_15, 2024/03

 被引用回数:2 パーセンタイル:58.81(Physics, Nuclear)

理化学研究所RIビームファクトリーにて中性子過剰核$$^{50}$$Arビームからの1中性子ノックアウト反応実験を行い、$$^{49}$$Arのエネルギー準位および分光学的因子を導出した。特に、第一励起状態の$$1/2^-$$への分光学的因子が大きいことから、始状態の$$^{50}$$Arの基底状態において中性子が$$p_{1/2}$$軌道を多く占めていることがわかった。これは、中性子数32がよい魔法数として知られる$$^{52}$$Caとは異なった性質であり、カルシウムからアルゴンへと陽子が2個減ることで閉殻構造が大きく崩れることが明らかになった。

論文

ALTEMIS: Using integrated hydrology and reactive transport modeling to support resilience at the Savannah River Site

Xu, Z.*; Litzinger, A.*; 佐久間 一幸; Arora, B.*; Hazenberg, P.*; Wang, L.*; Gonzalez Raymat, H.*; Fabricatore, E.*; Wainwright, Haruko*; Eddy-Dilek, C.*

Proceedings of Waste Management Symposia 2024 (WM2024) (Internet), 14 Pages, 2024/03

We leverage the Advanced Terrestrial Simulator (ATS), a comprehensive model encompassing overland flow, groundwater processes, canopy and ground evapotranspiration effects. ATS is integrated with reactive transport models, including PFLOTRAN and CrunchFlow, to capture the intricate dynamics of key nuclear-related geochemical species. The Advanced Long-term Environmental Monitoring Systems (ALTEMIS) project extends its efforts across multiple scales: 1) Watershed Scale ATS Model: At the Savannah River Site, we employ a watershed-scale ATS model to quantify the water budget and estimate evapotranspiration fluxes.; 2) Integrated Hydrology Model for Floodplains: Our integrated hydrology model zooms in on the floodplain of Fourmiles Creek, enabling quantification of upwelling groundwater fluxes into wetlands and surface ponds. It also used to assess contaminant migration into Fourmiles Creek; 3) Fully Integrated Reactive Transport Model: Focused on the F-Area seepage basin, one of the largest nuclear waste processing facilities, we develop both 2D transect and 3D basin models. These models estimate the behavior of radioactive elements such as uranium and tritium, as well as non-reactive geochemical species.; 4) Sr-90 Sorption Model: Informed by extensive Sr-90 sorption experiments on minerals and core samples, we parameterize both electrostatic and non-electrostatic sorption models for Sr-90. These models are integrated into multiple reactive transport frameworks, significantly enhancing our ability to accurately predict Sr-90 migration under varying pH conditions.

論文

Microscopic origin of the spin-reorientation transition in the kagome topological magnet TbMn$$_{6}$$Sn$$_{6}$$

Huang, Z.*; Wang, W.*; Ye, H.*; Bao, S.*; Shangguan, Y.*; Liao, J.*; Cao, S.*; 梶本 亮一; 池内 和彦*; Deng, G.*; et al.

Physical Review B, 109(1), p.014434_1 - 014434_9, 2024/01

 被引用回数:2 パーセンタイル:62.71(Materials Science, Multidisciplinary)

TbMn$$_{6}$$Sn$$_{6}$$ is a correlated topological magnet with a Mn-based kagome lattice, in which a Chern gap opens at the Dirac point at low temperatures. The magnetic moment direction of the ferrimagnetic order changes from in the kagome plane to the out-of-plane upon cooling, which is essential for generating the Chern gap, but the underlying mechanism for the spin reorientation remains elusive. Here, we investigate the spin-reorientation transition in TbMn$$_{6}$$Sn$$_{6}$$ using neutron scattering. We provide direct evidence for the spin-reorientation transition and unveil the coexistence of two Tb modes at 200 K. To account for these results, we put forward a model based on SU(N) spin-wave theory, in which there is a temperature evolution of the ground state Tb $$4f$$ orbitals, driven by the crystalline electric field, single-ion anisotropy, and exchange interactions between Tb and Mn ions. Our findings shed light on the complex magnetism of TbMn$$_{6}$$Sn$$_{6}$$, despite its relatively simple ground state magnetic structure, and provide insights into the mechanisms for tuning magnetic topological materials.

論文

Petrophysical properties of representative geological rocks encountered in carbon storage and utilization

Hu, Q.*; Wang, Q. M.*; Zhang, T.*; Zhao, C.*; Iltaf, K. H.*; Liu, S. Q.*; 深津 勇太

Energy Reports (Internet), 9, p.3661 - 3682, 2023/12

 被引用回数:10 パーセンタイル:66.70(Energy & Fuels)

This study evaluates petrophysical properties of representative geological rocks in the context of injectivity, storage space, and caprock integrity for effective utilization and long-term storage of carbon dioxide. A total of 10 geological rocks were selected as representative storage media for consideration as saline aquifers & depleted oil and gas reservoirs, basalts, and cap rocks, as well as utilization in organic-rich shale and coal seams. An integrated suite of laboratory tests, including liquid immersion porosimetry, gas expansion porosimetry, grain size distribution, mercury intrusion porosimetry, and gas diffusion, were performed on these various rock samples. The results exhibit a disparity of petrophysical properties among two broad groups of rocks: rocks selected for possible storage of CO$$_{2}$$ have porosities of $$sim$$10-25%, permeabilities of $$sim$$10$$^{-16}$$-10$$^{-13}$$ m$$^{2}$$, $$mu$$m-sized pore-throat size distribution, and mostly good pore connectivity; in contrast, the potential caprocks have porosities of $$sim$$0.5-5%, permeabilities of $$sim$$10$$^{-20}$$-10$$^{-18}$$ m$$^{2}$$, pore throat sizes of $$<$$50 nm, and probably poorly connected pore networks. An understanding of the measured facets of pore structure and contribution of fractures is also critical in the context of different testing principles and data interpretation of petrophysical analyses, as well as observational scales in the laboratory and field, and therefore reliable confidence of CO$$_{2}$$ storage and utilization performance. Our work further illustrates the controlling influence of grain size distribution and geological processes on pore size distribution and pore connectivity for a wide range of rock types and lithologies, and particularly presents the extent and behavior of CO$$_{2}$$ gas diffusion with a custom-designed apparatus for a holistic understanding of various petrophysical attributes of widely different geological rocks.

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