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論文

Uncertainty quantification for severe-accident reactor modelling; Results and conclusions of the MUSA reactor applications work package

Brumm, S.*; Gabrielli, F.*; Sanchez Espinoza, V.*; Stakhanova, A.*; Groudev, P.*; Petrova, P.*; Vryashkova, P.*; Ou, P.*; Zhang, W.*; Malkhasyan, A.*; et al.

Annals of Nuclear Energy, 211, p.110962_1 - 110962_16, 2025/02

 被引用回数:6 パーセンタイル:94.85(Nuclear Science & Technology)

The completed Horizon-2020 project on "Management and Uncertainties of Severe Accidents (MUSA)" has reviewed uncertainty sources and Uncertainty Quantification methodology for the purpose of assessing Severe Accidents (SA). The key motivation of the project has been to bring the advantages of the Best Estimate Plus Uncertainty approach to the field of Severe Accident. The applications brought together a large group of participants that set out to apply uncertainty analysis (UA) within their field of SA modelling expertise, in particular reactor types, but also SA code used (ASTEC, MELCOR, etc.), uncertainty quantification tools used (DAKOTA, RAVEN, etc.), detailed accident scenarios, and in some cases SAM actions. This paper synthesizes the reactor-application work at the end of the project. Analyses of 23 partners are sorted into different categories, depending on whether their main goal is/are (i) uncertainty bands of simulation results; (ii) the understanding of dominating uncertainties in specific sub-models of the SA code; (iii) improving the understanding of specific accident scenarios, with or without the application of SAM actions; or, (iv) a demonstration of the tools used and developed, and of the capability to carry out an uncertainty analysis in the presence of the challenges faced. The partners' experiences made during the project have been evaluated and are presented as good practice recommendations. The paper ends with conclusions on the level of readiness of UA in SA modelling, on the determination of governing uncertainties, and on the analysis of SAM actions.

論文

Concurrent ${it operando}$ neutron imaging and diffraction analysis revealing spatial lithiation phase evolution in an ultra-thick graphite electrode

Strobl, M.*; Baur, M. E.*; Samothrakitis, S.*; Molamud, F.*; Zhang, X.*; Tung, P. K. M.*; Schmidt, S.*; Woracek, R.*; Lee, J.*; 鬼柳 亮嗣; et al.

Advanced Energy Materials, p.2405238_1 - 2405238_9, 2025/01

 被引用回数:0

Energy-efficient, safe, and reliable Li-ion batteries (LIBs) are required for a wide range of applications. The introduction of ultra-thick graphite anodes, desired for high energy densities, meets limitations in internal electrode transport properties, leading to detrimental consequences. Yet, there is a lack of experimental tools capable of providing a complete view of local processes. Here, a multi-modal ${it operando}$ measurement approach is introduced, enabling quantitative spatio-temporal observations of Li concentrations and intercalation phases in ultra-thick graphite electrodes. Neutron imaging and diffraction concurrently provide correlated multiscale information from the scale of the cell down to the crystallographic scale. In particular, the evolving formation of the solid electrolyte interphase (SEI), observation of gradients in total lithium content, as well as in the formation of ordered Li$$_{x}$$C$$_{6}$$ phases and trapped lithium are mapped throughout the first charge-discharge cycle of the cell. Different lithiation stages co-exist during charging and discharging; delayed lithiation and delithiation processes are observed in central regions of the electrode, while the SEI formation, potential plating, and dead lithium are predominantly found closer to the interface with the separator. The study emphasizes the potential to investigate Li-ion diffusion and the kinetics of lithiation phase formation in thick electrodes.

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:13 パーセンタイル:94.32(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

Influence of interstitial carbon on bulk texture evolution of carbide-free high-entropy alloys during cold rolling using neutron diffraction

Fang, W.*; Liu, C.*; Zhang, J.*; 徐 平光; Peng, T.*; Liu, B.*; 諸岡 聡; Yin, F.*

Scripta Materialia, 249, p.116046_1 - 116046_6, 2024/08

 被引用回数:2 パーセンタイル:57.76(Nanoscience & Nanotechnology)

The influence of interstitial carbon on the texture evolution of high-entropy alloys during cold rolling was investigated. To prevent carbide formation, elements with weak carbon affinity were carefully selected in the (FeMnCoNi)$$_{96.5}$$C$$_{3.5}$$ alloy. Neutron diffraction, electron channeling contrast imaging, and electron backscatter diffraction were used to analyze the texture and microstructure evolution in alloys with and without carbon addition. Though their texture components are similar at the early stage of deformation, the Brass and Goss textures in the carbon-containing alloy at 50% cold rolling reduction are obviously higher than those in the carbon-free alloy, while Copper and S textures are lower. A large number of deformation twins induced in the carbon containing alloy is attributed as the significant reason for the texture differences. This work helps to understand the impact of interstitial carbon on the texture evolution of high-entropy alloys, providing valuable insights for microstructure and performance optimization.

論文

Giant barocaloric effects in sodium hexafluorophosphate and hexafluoroarsenate

Zhang, Z.*; 服部 高典; Song, R.*; Yu, D.*; Mole, R.*; Chen, J.*; He, L.*; Zhang, Z.*; Li, B.*

Journal of Applied Physics, 136(3), p.035105_1 - 035105_8, 2024/07

 被引用回数:2 パーセンタイル:35.22(Physics, Applied)

バロカロリック材料を用いた固体冷凍は、環境に優しく高効率であるため、過去10年間にわたり世界的に注目されてきた。ここでは、室温付近で立方晶から菱面体晶への相転移を起こすヘキサフルオロ燐酸ナトリウム(NaPF$$_6$$)とヘキサフルオロ砒酸ナトリウム(NaAsF$$_6$$)における巨大バロカロリック効果を報告する。われわれは中性子粉末回折により、NaPF$$_6$$の低温相の構造が空間群R$=3$の菱面体構造であることを明らかにした。NaPF$$_6$$とNaAsF$$_6$$には3つのラマン振動モード(F$$_{2g}$$, E$$_g$$, A$$_{1g}$$)が存在する。相転移温度はNaPF$$_6$$及びNaAsF$$_6$$においてそれぞれdT$$_t$$/dP=250K/GPa及び310K/GPaの割合で圧力とともに変化する。NaPF$$_6$$とNaAsF$$_6$$の圧力誘起エントロピー変化は、それぞれ約45.2Jkg$$^{-1}$$K$$^{-1}$$と35.6Jkg$$^{-1}$$K$$^{-1}$$と決定された。飽和駆動圧力は約40MPaであった。高圧下の中性子粉末回折から、バロカロリック効果は立方晶から菱面体晶への圧力誘起相転移に関係していることが示唆された。

論文

Spin and lattice dynamics in the van der Waals antiferromagnet MnPSe$$_{3}$$

Liao, J.*; Huang, Z.*; Shangguan, Y.*; Zhang, B.*; Cheng, S.*; Xu, H.*; 梶本 亮一; 蒲沢 和也*; Bao, S.*; Wen, J.*

Physical Review B, 109(22), p.224411_1 - 224411_10, 2024/06

 被引用回数:0 パーセンタイル:0.00(Materials Science, Multidisciplinary)

Antiferromagnetic van der Waals family $$M$$P$$X_{3}$$ ($$M$$ = Fe, Mn, Co, and Ni; $$X$$ = S and Se) have attracted significant research attention due to the possibility of realizing long-range magnetic order down to the monolayer limit. Here, we perform inelastic neutron scattering measurements on single-crystal samples of MnPSe$$_{3}$$, a member of the $$M$$P$$X_{3}$$ family, to study the spin dynamics and determine the effective spin model. The excited magnon bands are well characterized by a spin model, which includes a Heisenberg term with three intraplane exchange parameters ($$J_{1} = -0.73$$ meV, $$J_{2} = -0.014$$ meV, $$J_{3} = -0.43$$ meV) and one interplane parameter ($$J_{c} = -0.054$$ meV), and an easy-plane single-ion anisotropy term ($$D = -0.035$$ meV). Additionally, we observe the intersection of the magnon and phonon bands but no anomalous spectral features induced by the formation of magnon-phonon hybrid excitations at the intersecting region. We discuss possible reasons for the absence of such hybrid excitations in MnPSe$$_{3}$$.

論文

A Systematic approach for the adequacy analysis of a set of experimental databases; Application in the framework of the ATRIUM activity

Baccou, J.*; Glantz, T.*; Ghione, A.*; Sargentini, L.*; Fillion, P.*; Damblin, G.*; Sueur, R.*; Iooss, B.*; Fang, J.*; Liu, J.*; et al.

Nuclear Engineering and Design, 421, p.113035_1 - 113035_16, 2024/05

 被引用回数:6 パーセンタイル:96.49(Nuclear Science & Technology)

In the Best-Estimate Plus Uncertainty (BEPU) framework, the use of best-estimate code requires to go through a Verification, Validation and Uncertainty Quantification process (VVUQ). The relevance of the experimental data in relation to the physical phenomena of interest in the VVUQ process is crucial. Adequacy analysis of selected experimental databases addresses this problem. The outcomes of the analysis can be used to select a subset of relevant experimental data, to encourage designing new experiments or to drop some experiments from a database because of their substantial lack of adequacy. The development of a specific transparent and reproducible approach to analyze the relevance of experimental data for VVUQ still remains open and is the topic of this contribution. In this paper, the concept of adequacy initially introduced in the OECD/NEA SAPIUM (Systematic APproach for model Input Uncertainty quantification Methodology) activity is formalized. It is defined through two key properties, called representativeness and completeness, that allows considering the multifactorial dimension of the adequacy problem. A new systematic approach is then proposed to analyze the adequacy of a set of experimental databases. It relies on the introduction of two sets of criteria to characterize representativeness and completeness and on the use of multi-criteria decision analysis method to perform the analysis. Finally, the approach is applied in the framework of the new OECD/NEA ATRIUM activity which includes a set of practical IUQ exercises in thermal-hydraulics to test the SAPIUM guideline in determining input uncertainties and forward propagating them on an application case. It allows evaluating the adequacy of eight experimental databases coming from the Super Moby-dick, Sozzi-Sutherland and Marviken experiments and identifying the most adequate ones.

論文

Direct observations of dynamic and reverse transformation of Ti-6Al-4V alloy and pure titanium

Guo, B.*; Chen, H.*; Chong, Y.*; Mao, W.; Harjo, S.; Gong, W.; Zhang, Z.*; Jonas, J. J.*; 辻 伸泰*

Acta Materialia, 268, p.119780_1 - 119780_11, 2024/04

 被引用回数:10 パーセンタイル:94.16(Materials Science, Multidisciplinary)

This paper focused on the characterization and mechanism of the dynamic transformation from the alpha to beta phase during the hot deformation of Ti-6Al-4V alloy and pure titanium. The investigation employed in-situ neutron diffraction and atomistic simulations for a comprehensive understanding of the process. Dynamic transformations were observed during deformation of the Ti-6Al-4V alloy and pure titanium below the beta transus temperatures. During isothermal holding after unloading, the in-situ neutron diffraction results for Ti-6Al-4V and pure titanium indicated a sluggish reverse transformation from the beta to alpha phase. The mechanism of dynamic transformation was explored through in-situ neutron diffraction and atomistic simulations, which revealed twofold effects of deformation on dynamic transformation. Firstly, deformation led to a significant rise in the Gibbs energy of the alpha phase relative to the beta phase, expanding the beta phase region and diminishing the alpha phase region. Secondly, deformation lowered the energy barriers associated with dynamic transformation, facilitating the activation of dynamic transformation more readily than in the equilibrium state before deformation.

論文

Phase transformation and equation of state in Ti-45Al alloy under high pressure

Li, X.*; Zhu, R.*; Xin, J.*; Luo, M.*; Shang, S.-L.*; Liu, Z.-K.*; Yin, C.*; 舟越 賢一*; Dippenaar, R. J.*; 肥後 祐司*; et al.

CALPHAD; Computer Coupling of Phase Diagrams and Thermochemistry, 84, p.102641_1 - 102641_6, 2024/03

 被引用回数:0 パーセンタイル:0.00(Thermodynamics)

The phase transformations and pressure-volume dependencies of the Ti-45Al alloy with respect to pressure have been investigated by means of in-situ observation using multi anvil-type high-pressure devices and synchrotron radiation. Under hydrostatic compression from 0 to 10.1 GPa, about 2.3 vol. % of $$gamma$$ transforms continuously to $$alpha$$2. Lattice parameters as well as volume fractions of these two phases have been determined as a function of pressure. Bulk moduli estimated using Birch-Murnaghan's equation of state are 148 GPa for the $$gamma$$ phase, 138 GPa for the $$alpha$$2 phase, and 149 GPa for their two-phase mixture of Ti-45Al alloy. First-principles have also applied to investigate bulk moduli of two single phases, and the deviation between calculations and measurements is discussed and attributed to mainly phase transformation. The presently study provides useful insights into thermodynamics of $$alpha$$2 and $$gamma$$ phases under high pressure.

論文

Grain size independence of cryogenic strain recovery behavior in high-Zr $$beta$$-Ti alloy

Zhang, B.*; Xin, S.*; Huang, M.*; Mao, W.; Jia, W.*; Li, Q.*; Li, S.*; Zhang, S.*; Mao, C.*

Materials Science & Engineering A, 890, p.145898_1 - 145898_7, 2024/01

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

本研究では、高Zr-$$beta$$-Ti合金の変形温度を300Kから77Kに下げると回復ひずみが2.25%から5.5%に大幅に増加することを報告した。この合金の超弾性は77Kにおいて$$beta$$粒径に依存しないことがわかった。その結果、粗粒試料は77Kで超微粒試料とほぼ同じ超弾性を示すことがわかった。変形誘起マルテンサイト変態と転位すべりの相対的な容易さは77Kで大きく変化し、転位すべりは強く抑制され、超弾性に対する結晶粒の微細化の影響は影を潜めた。

論文

Tetrahedral triple-Q magnetic ordering and large spontaneous Hall conductivity in the metallic triangular antiferromagnet Co$$_{1/3}$$TaS$$_{2}$$

Park, P.*; Cho, W.*; Kim, C.*; An, Y.*; Kang, Y.-G.*; Avdeev, M.*; Sibille, R.*; 飯田 一樹*; 梶本 亮一; Lee, K. H.*; et al.

Nature Communications (Internet), 14, p.8346_1 - 8346_9, 2023/12

 被引用回数:23 パーセンタイル:86.45(Multidisciplinary Sciences)

The triangular lattice antiferromagnet (TLAF) has been the standard paradigm of frustrated magnetism for several decades. The most common magnetic ordering in insulating TLAFs is the 120$$^{circ}$$ structure. However, a new triple-$$mathbf{Q}$$ chiral ordering can emerge in metallic TLAFs, representing the short wavelength limit of magnetic skyrmion crystals. We report the metallic TLAF Co$$_{1/3}$$TaS$$_{2}$$ as the first example of tetrahedral triple-$$mathbf{Q}$$ magnetic ordering with the associated topological Hall effect (non-zero $$sigma_{xy}(mathbf{H}=0)$$). We also present a theoretical framework that describes the emergence of this magnetic ground state, which is further supported by the electronic structure measured by angle-resolved photoemission spectroscopy. Additionally, our measurements of the inelastic neutron scattering cross section are consistent with the calculated dynamical structure factor of the tetrahedral triple-$$mathbf{Q}$$ state.

論文

Colossal barocaloric plastic crystals

Lloveras, P.*; Zhang, Z.*; Zeng, M.*; Barrio, M.*; 川北 至信; Yu, D.*; Lin, S.*; Li, K.*; Moya, X.*; Tamarit, J.-L.*; et al.

Barocaloric Effects in the Solid State; Materials and methods, p.7_1 - 7_30, 2023/10

 被引用回数:232 パーセンタイル:99.37(Multidisciplinary Sciences)

「固体状態における圧力熱量効果」と題する電子ブックの第一章として、様々な柔粘性結晶が紹介されている。柔粘性結晶における圧力熱量反応を決定する方法、その熱力学的な起源、中性子準弾性散乱からの分光学的洞察、柔粘性結晶の応用などが解説されている。

論文

3D-printed epidermal sweat microfluidic systems with integrated microcuvettes for precise spectroscopic and fluorometric biochemical assays

Yang, D. S.*; Wu, Y.*; Kanatzidis, E. E.*; Avila, R.*; Zhou, M.*; Bai, Y.*; Chen, S.*; 関根 由莉奈; Kim, J.*; Deng, Y.*; et al.

Materials Horizons, 10(11), p.4992 - 5003, 2023/09

 被引用回数:12 パーセンタイル:78.05(Chemistry, Multidisciplinary)

本論文では、ハード及びソフトハイブリッド材料システムでの3Dプリントによって形成されたマイクロ流体ネットワーク、統合バルブ、およびマイクロスケール光学キュベットにより、汗成分に対してその場で分光および蛍光分析した成果を紹介する。一連の試験により、これらのマイクロキュベットシステムが汗中の銅、塩化物、グルコースの濃度と汗のpHを実験室レベルの精度と感度で評価できることが実証された。

論文

Direct observation of topological magnon polarons in a multiferroic material

Bao, S.*; Gu, Z.-L.*; Shangguan, Y.*; Huang, Z.*; Liao, J.*; Zhao, X.*; Zhang, B.*; Dong, Z.-Y.*; Wang, W.*; 梶本 亮一; et al.

Nature Communications (Internet), 14, p.6093_1 - 6093_9, 2023/09

 被引用回数:21 パーセンタイル:92.84(Multidisciplinary Sciences)

Magnon polarons are novel elementary excitations possessing hybrid magnonic and phononic signatures, and are responsible for many exotic spintronic and magnonic phenomena. Despite long-term sustained experimental efforts in chasing for magnon polarons, direct spectroscopic evidence of their existence is hardly observed. Here, we report the direct observation of magnon polarons using neutron spectroscopy on a multiferroic Fe$$_{2}$$Mo$$_{3}$$O$$_{8}$$ possessing strong magnon-phonon coupling. Specifically, below the magnetic ordering temperature, a gap opens at the nominal intersection of the original magnon and phonon bands, leading to two separated magnon-polaron bands. Each of the bands undergoes mixing, interconverting and reversing between its magnonic and phononic components. We attribute the formation of magnon polarons to the strong magnon-phonon coupling induced by Dzyaloshinskii-Moriya interaction. Intriguingly, we find that the band-inverted magnon polarons are topologically nontrivial. These results uncover exotic elementary excitations arising from the magnon-phonon coupling, and offer a new route to topological states by considering hybridizations between different types of fundamental excitations.

論文

A Predicted CRISPR-mediated symbiosis between uncultivated archaea

Esser, S. P.*; Rahlff, J.*; Zhao, W.*; Predl, M.*; Plewka, J.*; Sures, K.*; Wimmer, F.*; Lee, J.*; Adam, P. S.*; McGonigle, J.*; et al.

Nature Microbiology (Internet), 8(9), p.1619 - 1633, 2023/09

 被引用回数:9 パーセンタイル:74.53(Microbiology)

CRISPR-Cas systems defend prokaryotic cells from viruses, plasmids, and other mobile genetic elements. Capitalizing on multi-omics approaches, we show here that the CRISPR-Cas systems of uncultivated archaea also play an integral role in mitigating potentially detrimental interactions with episymbionts. A comprehensive analysis of CRISPR-Cas-based infection histories revealed that uncultivated deep-subsurface archaeal primary-producers defend themselves from archaeal episymbionts of the DPANN superphylum of archaea, some of which are known to fuse their membranes with their host. We show that host cells counter these attacks by deploying one of two CRISPR-Cas systems (type I-B and type III-A) to target and disrupt essential genes in the episymbiont. However, genome-scale modeling of metabolic interactions between two deep subsurface host-symbiont systems revealed that host cells also benefit from the symbionts via metabolic complementation. We speculate that populations of these uncultivated archaeal episymbionts are currently transitioning from a parasitic lifestyle to one of mutualism, as must have occurred in countless mutualistic systems known today. By expanding our analysis to thousands of archaeal genomes, we conclude that CRISPR-Cas mediated resistance to archaeal episymbiosis evolved independently in various archaeal lineages and may be a wide-spread evolutionary phenomenon.

論文

A One-third magnetization plateau phase as evidence for the Kitaev interaction in a honeycomb-lattice antiferromagnet

Shangguan, Y.*; Bao, S.*; Dong, Z.-Y.*; Xi, N.*; Gao, Y.-P.*; Ma, Z.*; Wang, W.*; Qi, Z.*; Zhang, S.*; Huang, Z.*; et al.

Nature Physics, 19(12), p.1883 - 1889, 2023/09

 被引用回数:19 パーセンタイル:93.50(Physics, Multidisciplinary)

The magnetization of a quantum magnet can be pinned at a fraction of its saturated value by collective effects. One example of such a plateau phase is found in spin-1/2 triangular-lattice antiferromagnets. They feature strong geometrical frustration and the plateau phase therein is often interpreted as arising from an order-by-disorder mechanism driven by quantum fluctuations. Here we observe a one-third magnetization plateau under an applied magnetic field in the spin-1 antiferromagnet Na$$_{3}$$Ni$$_{2}$$BiO$$_{6}$$ with a honeycomb lattice, which, with conventional magnetic interactions, would not be geometrically frustrated. Based on our elastic neutron scattering measurements, we propose the spin structure of the plateau phase to be an unusual partial spin-flop ferrimagnetic order. Our theoretical calculations indicate that bond-anisotropic Kitaev interactions are the source of frustration that produces the plateau. These results suggest that Kitaev interactions provide a different route to frustration and phases driven by quantum fluctuations in high-spin magnets.

論文

${it In situ}$ neutron diffraction study on the deformation behavior of the plastic inorganic semiconductor Ag$$_{2}$$S

Wang, Y.*; Gong, W.; 川崎 卓郎; Harjo, S.; Zhang, K.*; Zhang, Z. D.*; Li, B.*

Applied Physics Letters, 123(1), p.011903_1 - 011903_6, 2023/07

 被引用回数:4 パーセンタイル:47.87(Physics, Applied)

Bulk Ag$$_{2}$$S is a plastic inorganic semiconductor at room temperature. It exhibits a compressive strain greater than 50%, which is highly different from brittle conventional counterparts, such as silicon. Here, we present the experimental investigation of the deformation behavior in a plastic inorganic semiconductor Ag$$_{2}$$S using ${it in situ}$ neutron diffraction during compressive deformation at room and elevated temperatures. At room temperature, the lattice strain partitioning among $$hkl$$-orientated grain families could be responsible for the significant work-hardening behavior in the bulk Ag$$_{2}$$S with a monoclinic structure. The rapid accumulation of lattice defects and remarkable development of the deformation texture suggest that dislocation slip promotes plasticity. At 453 K, a monoclinic phase transforms into a body-centered cubic phase. A stress plateau appears at $$sim$$-4.8 MPa, followed by a rehardening state. The deformation mode of bulk Ag$$_{2}$$S at the initial stage is likely attributable to the migration of silver ions, and as strain increases, it is closer to that of room temperature, leading to rehardening.

論文

Pressure engineering of van der Waals compound RhI$$_3$$; Bandgap narrowing, metallization, and remarkable enhancement of photoelectric activity

Fang, Y.*; Kong, L.*; Wang, R.*; Zhang, Z.*; Li, Z.*; Wu, Y.*; Bu, K.*; Liu, X.*; Yan, S.*; 服部 高典; et al.

Materials Today Physics (Internet), 34, p.101083_1 - 101083_7, 2023/05

 被引用回数:8 パーセンタイル:72.60(Materials Science, Multidisciplinary)

層状ファンデルワールスハライドは、外部圧力に対して特に敏感であるため、目的とする性質を持つ構造にチューンすることが可能となる。一方で、圧力に非常に敏感であるという特性は、同時に目的とする機能の実現に有害な相転移や格子歪みを引き起こす可能性があるためその操作は依然として困難である。この研究では、層状RhI$$_3$$結晶が持つ極めて弱い層間結合と高い機能可変性を観察した。5GPaという適度な圧力をかけると圧力誘起相転移が起こり、積層構造に変化が現れた。驚くべきことに、この相転移は、圧力に対してほぼ直線的なバンドギャップ減少という傾向に影響を与えなかった。また、より高い圧力では、1.3eVの赤方偏移というかなり大きな調整幅を伴う金属相が観測された。さらに、RhI$$_3$$のキャリア濃度は30GPaで4桁増加し、光電流は7.8GPaで5桁増加することが確認された。これらの結果は、ファンデルワールスハライドの層状構造という特異な特徴を生かした探索、調整、理解のための新たな機会を創出し、原子レベルの薄さを持つマテリアルバイデザインに基づく将来のデバイスとして有望である。

論文

A Colossal barocaloric effect induced by the creation of a high-pressure phase

Jiang, X.*; 服部 高典; Xu, X.*; Li, M.*; Yu, C.*; Yu, D.*; Mole, R.*; 矢野 真一郎*; Chen, J.*; He, L.*; et al.

Materials Horizons, 10(3), p.977 - 982, 2023/03

 被引用回数:26 パーセンタイル:93.14(Chemistry, Multidisciplinary)

現在の蒸気圧縮式冷凍機に代わる環境に優しい冷凍機として、バロカロリック効果に基づく固体冷凍機が世界的に注目されている。一般に、バロカロリック効果が発現する相はいずれも常圧でも存在する。ここでは、それらの物質と違って、KPF$$_{6}$$が高圧の菱面体晶相を生成することにより、巨大なバロカロリック効果を示すことを実証した。相図は、圧力依存の熱量測定、ラマン散乱測定、中性子回折測定に基づいて構築されたものである。本研究は、巨大バロカロリー効果に、高圧相の生成という新たな手法をもたらすと期待される。

論文

Heat-induced structural changes in magnesium alloys AZ91 and AZ31 investigated by in situ synchrotron high-energy X-ray diffraction

Liu, X. J.*; 徐 平光; 城 鮎美*; Zhang, S. Y.*; 菖蒲 敬久; 行武 栄太郎*; 秋田 貢一*; Zolotoyabko, E.*; Liss, K.-D.*

Journal of Materials Science, 57(46), p.21446 - 21459, 2022/12

 被引用回数:5 パーセンタイル:33.27(Materials Science, Multidisciplinary)

In situ time/temperature-resolved synchrotron high-energy X-ray diffraction is applied to study heat-mediated structural changes and phase transformations in rolled sheets of AZ91 and AZ31 magnesium alloys. Azimuthal diffraction intensities along the Debye-Scherrer rings (AT-plots) are used to obtain information on grain recovery and recrystallization temperatures as well as temperature-assisted grain rotations. The azimuthally integrated diffraction intensities, plotted as functions of the scattering vector (QT-plots), provide vital data on the temperature-dependent lattice parameters of the Mg/Al matrix and intermetallic precipitates, as well as on the evolution of the precipitates' volume fraction. It was found that in AZ31, the main precipitates are of the AlMn type, which is rather stable in the investigated temperature range (up to 773 K). In contrast, in AZ91, the major intermetallic precipitates, Al$$_{12}$$Mg$$_{17}$$, undergo complete dissolution above 600 K. It is caused by the enhanced diffusion of Al into the Mg/Al matrix, which according to the Al-Mg phase diagram, can adopt more Al at elevated temperatures. This diffusion is revealed by the proportional diminishing of the matrix lattice parameter (chemical strain), allowing us to quantify the Al content in the matrix. Fast temperature-dependent manipulation with intermetallic content in the Mg/Al alloy can, in principle, be used for controlling its mechanical properties.

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