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論文

On the role of austenite stability in yielding behavior of a medium Mn steel with a duplex austenite-martensite microstructure

Wang, Y.*; Gong, W.; Harjo, S.; 他7名*

Acta Materialia, 288, p.120840_1 - 120840_14, 2025/04

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

Low yield strength and the presence of Luders bands constitute principal impediments to the extensive applications of conventional medium Mn steels with a duplex microstructure of ferrite and austenite. Flash heating and the concept of chemical heterogeneity have been combined to engineer a duplex austenite-martensite microstructure in medium Mn steels, which has proven effective in augmenting the yield strength and mitigating the occurrence of Luders bands. However, the underlying mechanisms remain ambiguous. In the present work, the effect of austenite stability on yielding behavior was systematically investigated in an austenite-martensite duplex medium Mn steel. Austenite stability was identified as the critical factor governing yield strength, where reduced stability promotes early stage deformation induced martensite transformation, thereby decreasing yield strength. Diminished austenite stability may as well induce enhanced work hardening, thereby result in the inclination and eventual elimination of yield plateau, concomitant with the disappearance of Luders bands. These observations expand our current understanding of the yielding behavior in medium Mn steels and offer insights for the design of other advanced high strength steels.

論文

Robustness of ferromagnetism in van der Waals magnet Fe$$_3$$GeTe$$_2$$ to hydrostatic pressure

Wang, Y.*; Zeng, X.-T.*; Li, B.*; Su, C.*; 服部 高典; Sheng, X.-L.*; Jin, W.*

Chinese Physics B, 34(4), p.046203_1 - 046203_6, 2025/03

 被引用回数:0

二次元ファンデルワールス強磁性体Fe$$_3$$GeTe$$_2$$(FGT)は、その高いキュリー温度、容易な調整性、空気中での優れた構造安定性から、スピントロニクスデバイスへの応用に大きな可能性を秘めている。理論的研究により、外部パラメータとしての圧力が強磁性特性に大きく影響することが示されている。本研究では、5GPaまでの高圧中性子粉末回折(NPD)実験を行い、FGTの静水圧による構造及び磁気特性の変化を調べた。NPDデータは、静水圧による見かけ上の抑制にもかかわらず、FGTにおける強磁性の頑健性を明らかにした。圧力が0から5GPaまで増加すると、キュリー温度は225(5)Kから175(5)Kまで単調減少し、Feの秩序モーメントが劇的に抑制されることがわかった。圧力による構造相転移は5GPaまで観測されなかったが、結合長と結合角の変化を定量的に解析した結果、交換相互作用が大きく変化していることがわかった。

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

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:2 パーセンタイル:47.21(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

Enhanced cryogenic mechanical properties of heterostructured CrCoNi multicomponent alloy; Insights from ${it in situ}$ neutron diffraction

Naeem, M.*; Ma, Y.*; Knowles, A. J.*; Gong, W.; Harjo, S.; Wang, X.-L.*; Romero Resendiz, L.*; 他6名*

Materials Science & Engineering A, 916, p.147374_1 - 147374_8, 2024/11

 被引用回数:2 パーセンタイル:67.89(Nanoscience & Nanotechnology)

Heterostructured materials (HSMs) improve the strength-ductility trade-off of alloys, but their cryogenic performance under real-time deformation is unclear. We studied heterostructured CrCoNi medium-entropy alloy via ${it in situ}$ neutron diffraction at 77 K and 293 K. A significant mechanical mismatch between fine and coarse grains led to an exceptional yield strength of 918 MPa at 293 K, increasing to 1244 MPa at 77 K with a uniform elongation of 34%. This strength-ductility synergy at 77 K is attributed to high dislocation pile-up density, increased planar faults, and martensitic transformation. Compared to homogeneous alloys, HSMs show promise for enhancing cryogenic mechanical performance in medium-/high-entropy alloys.

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:47.38(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:0.00(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

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:13 パーセンタイル:98.32(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:94.10(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

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:46.22(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

Strongly coupled spin waves and surface acoustic waves at room temperature

Hwang, Y.*; Puebla, J.*; 近藤 浩太*; Gonzalez-Ballestero, C.*; 一色 弘成*; S$'a$nchez Mu$~n$oz, C.*; Liao, L.*; Chen, F.*; Luo, W.*; 前川 禎通*; et al.

Physical Review Letters, 132(5), p.056704_1 - 056704_7, 2024/01

 被引用回数:14 パーセンタイル:96.23(Physics, Multidisciplinary)

Here, we report the observation of strong coupling between magnons and surface acoustic wave (SAW) phonons in a thin CoFeB film constructed in an on-chip SAW resonator by analyzing SAW phonon dispersion anticrossings. We employ a nanostructured SAW resonator design that, in contrast to conventional SAW resonators, allows us to enhance shear-horizontal strain. Crucially, this type of strain couples strongly to magnons. Our device design provides the tunability of the film thickness with a fixed phonon wavelength, which is a departure from the conventional approach in strong magnon-phonon coupling research. We detect a monotonic increase in the coupling strength by expanding the film thickness, which agrees with our theoretical model. Our work offers a significant way to advance fundamental research and the development of devices based on magnon-phonon hybrid quasiparticles.

論文

Stress corrosion cracking induced by the combination of external and internal hydrogen in Al-Zn-Mg-Cu alloy

Tang, J.*; Wang, Y.*; 藤原 比呂*; 清水 一行*; 平山 恭介*; 海老原 健一; 竹内 晃久*; 上椙 真之*; 戸田 裕之*

Scripta Materialia, 239, p.115804_1 - 115804_5, 2024/01

 被引用回数:11 パーセンタイル:83.78(Nanoscience & Nanotechnology)

Al-Zn-Mg-Cu合金の外部および内部水素(H)の組合せによって誘起される応力腐食割れ(SCC)の挙動をその場3次元評価技術を使い系統的に調べた。Al-Zn-Mg-Cu合金のSCCは水素濃度が臨界値を超える潜在的なクラック発生領域で発生・進展し、Hがナノスケール$$eta$$-MgZn$$_2$$析出物界面での原子結合を弱め巨視的な割れを引き起こしていることが分かった。さらに、水環境からき裂へ浸透した外部Hが、き裂先端近傍に勾配を持つH影響ゾーンを作ることでSCCにおいて重要な役割を果たすことや、あらかじめ存在する内部Hが、塑性変形に伴いき裂先端に向かうことでSCCにおけるき裂の発生と進展の両方に関与することも分かった。

論文

Valley-selective phonon-magnon scattering in magnetoelastic superlattices

Liao, L.*; Puebla, J.*; 山本 慧; Kim, J.*; 前川 禎通*; Hwang, Y.*; Ba, Y.*; 大谷 義近*

Physical Review Letters, 131(17), p.176701_1 - 176701_6, 2023/10

 被引用回数:8 パーセンタイル:81.90(Physics, Multidisciplinary)

Phonons and magnons are engineered by periodic potential landscapes in phononic and magnonic crystals, and their combined studies may enable valley phonon transport tunable by the magnetic field. Through nonreciprocal surface acoustic wave transmission, we demonstrate valley-selective phonon-magnon scattering in magnetoelastic superlattices. The lattice symmetry and the out-of-plane magnetization component control the sign of nonreciprocity. The phonons in the valleys play a crucial role in generating nonreciprocal transmission by inducing helical strains that couple with the magnons. The transmission spectra show a nonreciprocity peak near a transmission gap, matching the phononic band structure. Our results open the way for manipulating valley phonon transport through periodically varying magnon-phonon coupling.

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:17 パーセンタイル:93.61(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

Extreme phonon anharmonicity underpins superionic diffusion and ultralow thermal conductivity in argyrodite Ag$$_{8}$$SnSe$$_{6}$$

Ren, Q.*; Gupta, M. K.*; Jin, M.*; Ding, J.*; Wu, J.*; Chen, Z.*; Lin, S.*; Fabelo, O.*; Rodriguez-Velamazan, J. A.*; 古府 麻衣子; et al.

Nature Materials, 22(8), p.999 - 1006, 2023/08

 被引用回数:72 パーセンタイル:99.21(Chemistry, Physical)

Ultralow thermal conductivity and fast ionic diffusion endow superionic materials with excellent performance both as thermoelectric converters and as solid-state electrolytes. Yet the correlation and interdependence between these two features remain unclear owing to a limited understanding of their complex atomic dynamics. Here we investigate ionic diffusion and lattice dynamics in argyrodite Ag$$_{8}$$SnSe$$_{6}$$ using synchrotron X-ray and neutron scattering techniques along with machine-learned molecular dynamics. We identify a critical interplay of the vibrational dynamics of mobile Ag and a host framework that controls the overdamping of low-energy Ag-dominated phonons into a quasi-elastic response, enabling superionicity. Concomitantly, the persistence of long-wavelength transverse acoustic phonons across the superionic transition challenges a proposed 'liquid-like thermal conduction' picture. Rather, a striking thermal broadening of low-energy phonons, starting even below 50 K, reveals extreme phonon anharmonicity and weak bonding as underlying features of the potential energy surface responsible for the ultralow thermal conductivity ($$<$$ 0.5 Wm$$^{-1}$$K$$^{-1}$$) and fast diffusion. Our results provide fundamental insights into the complex atomic dynamics in superionic materials for energy conversion and storage.

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:52.19(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

The Development of a Multiphysics Coupled Solver for Studying the Effect of Dynamic Heterogeneous Configuration on Particulate Debris Bed Criticality and Cooling Characteristics

Li, C.-Y.; Wang, K.*; 内堀 昭寛; 岡野 靖; Pellegrini, M.*; Erkan, N.*; 高田 孝*; 岡本 孝司*

Applied Sciences (Internet), 13(13), p.7705_1 - 7705_29, 2023/07

 被引用回数:2 パーセンタイル:39.73(Chemistry, Multidisciplinary)

For a sodium-cooled fast reactor, the capability for stable cooling and avoiding re-criticality on the debris bed is essential for achieving in-vessel retention when severe accidents occur. However, an unexploited uncertainty still existed regarding the compound effect of the heterogeneous configuration and dynamic particle redistribution for the debris bed's criticality and cooling safety assessment. Therefore, this research aims to develop a numerical tool for investigating the effects of the different transformations of the heterogeneous configurations on the debris bed's criticality/cooling assessment. Based on the newly proposed methodology in this research, via integrating the Discrete Element Method (DEM) with Computational Fluid Dynamics (CFD) and Monte-Carlo-based Neutronics (MCN), the coupled CFD-DEM-MCN solver was constructed with the originally created interface to integrate two existing codes. The effects of the different bed configurations' transformations on the bed safety assessments were also quantitively confirmed, indicating that the effect of the particle-centralized fissile material had the dominant negative effect on the safety margin of avoiding re-criticality and particle re-melting accidents and had a more evident impact than the net bed-centralized effect. This coupled solver can serve to further assess the debris bed's safety via a multi-physics simulation approach, leading to safer SFR design concepts.

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:76.08(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

Pressure-modulated magnetism and negative thermal expansion in the Ho$$_2$$Fe$$_{17}$$ intermetallic compound

Cao, Y.*; Zhou, H.*; Khmelevskyi, S.*; Lin, K.*; Avdeev, M.*; Wang, C.-W.*; Wang, B.*; Hu, F.*; 加藤 健一*; 服部 高典; et al.

Chemistry of Materials, 35(8), p.3249 - 3255, 2023/04

 被引用回数:2 パーセンタイル:23.35(Chemistry, Physical)

静水圧や化学圧力は、結晶構造を変化させる効率的な刺激であり、材料科学において電気的、磁気的特性のチューニングによく利用されている。しかし、化学圧力は定量化が困難であり、これら両者の定量的な対応関係はまだよくわかっていない。本研究では、負の熱膨張(NTE)を持つ永久磁石の候補である金属間化合物を調べた。放射光X線その場観察により、AlをドープしたHo$$_2$$Fe$$_{17}$$に負の化学圧力があることを明らかにし、単位セル体積の温度・圧力依存性を用いそれを定量的に評価した。また、磁化測定と中性子回折測定を組み合わせることで、磁気秩序に対する化学圧力と静水圧の違いを比較した。興味深いことに、圧力はNTEの抑制と増強を制御するために使用することができた。電子状態計算から、圧力がFermiレベル(EF)に対する主要バンドの上部に影響を与えたことを示しており、これは磁気安定性に影響を与え、それが磁気とNTEを調節する上で重要な役割を果たしていることがわかった。本研究は、圧力の影響を理解し、それを利用して機能性材料の特性を制御する良い例を示している。

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