SR studies on copper minerals

Fujihara, Masayoshi; Okabe, Hirotaka*; Koda, Akihiro*

Interactions (Internet), 245(1), p.13_1 - 13_6, 2024/12

https://doi.org/10.1007/s10751-024-01856-7

Quantum states are difficult to observe experimentally. In addition, ideal model materials have not been found for some of the lattice systems in which exotic quantum states are predicted to be realized. Numerous candidates for low-dimensional quantum magnets are hidden in copper minerals, and the number of candidates is increasing every year. We succeeded to synthesize seven copper minerals by imitating the environment where they are discovered and reported their quantum states. The properties of pulsed muons are very suitable for investigating the spin state of artificial copper minerals.

Assessment of hydrogen embrittlement behavior in Al-Zn-Mg alloy through multi-modal 3D image-based simulation

Fujihara, Hiro*; Toda, Hiroyuki*; Ebihara, Kenichi; Kobayashi, Masakazu*; Mayama, Tsuyoshi*; Hirayama, Kyosuke*; Shimizu, Kazuyuki*; Takeuchi, Akihisa*; Uesugi, Masayuki*

International Journal of Plasticity, 174, p.103897_1 - 103897_22, 2024/03

https://doi.org/10.1016/j.ijplas.2024.103897

Hydrogen(H) embrittlement in high-strength aluminum(Al) alloys is a crucial problem. H accumulation at the interface of precipitates in Al alloy is considered to cause embrittlement. However, there is no quantitative knowledge regarding the interaction between H distribution and stress field near cracks. In this study, using a multi-modal three-dimensional image-based simulation combining the crystal plasticity finite element method and H diffusion analysis, we tried to capture the stress distribution near the crack, its influence on the H distribution, and the probability of crack initiation in the experimental condition. As a result, it was found that grain boundary cracks transition to quasi-cleavage cracks in the region where the cohesive energy of the semi-coherent interface of MgZn precipitates decreases due to H accumulation near the tip. We believe the present simulation method successfully bridges nanoscale delamination and macroscale brittle fracture.

Multi-modal 3D image-based simulation of hydrogen embrittlement crack initiation in Al-Zn-Mg alloy

Higa, Ryota*; Fujihara, Hiro*; Toda, Hiroyuki*; Kobayashi, Masakazu*; Ebihara, Kenichi; Takeuchi, Akihisa*

Keikinzoku, 73(11), p.530 - 536, 2023/11

https://doi.org/10.2464/jilm.73.530

In Al-Zn-Mg alloys, suppression of hydrogen embrittlement is necessary to improve their strength. In this study, the distribution of stress, strain, and hydrogen concentration in the actual fracture region was investigated using the crystal plasticity finite element method and hydrogen diffusion analysis based on a model derived from three-dimensional polycrystalline microstructural data obtained by X-ray CT. In addition, the distributions of stress, strain, and hydrogen concentration were compared with the actual crack initiation behavior by combining in-situ observation of tensile tests using X-ray CT and simulation. The results show that stress loading perpendicular to the grain boundary due to crystal plasticity dominates grain boundary crack initiation. It was also found that internal hydrogen accumulation due to crystal plasticity has little effect on crack initiation.

Atomic reconstruction induced by uniaxial stress in MnP

Kozawa, Tatsuya*; Fujihara, Masayoshi; Uchihara, Takeru*; Mitsuda, Setsuo*; Yano, Shinichiro*; Tamatsukuri, Hiromu; Munakata, Koji*; Nakao, Akiko*

Scientific Reports (Internet), 13, p.13750_1 - 13750_8, 2023/08

https://doi.org/10.1038/s41598-023-40806-1

In condensed matter physics, pressure is frequently used to modify the stability of both electronic states and atomic arrangements. Under isotropic pressure, the intermetallic compound MnP has recently attracted attention for the interplay between pressure-induced superconductivity and complicated magnetic order in the vicinity. By contrast, we use uniaxial stress, a directional type of pressure, to investigate the effect on the magnetism and crystal structure of this compound. An irreversible magnetisation response induced by uniaxial stress is discovered in MnP at uniaxial stress as low as 0.04 GPa. Neutron diffraction experiments reveal that uniaxial stress forms crystal domains that satisfy pseudo-rotational symmetry unique to the MnP-type structure. The structure of the coexisting domains accounts for the stress-induced magnetism. We term this first discovered phenomenon atomic reconstruction (AR) induced by uniaxial stress. Furthermore, our calculation results provide guidelines on the search for AR candidates. AR allows crystal domain engineering to control anisotropic properties of materials, including dielectricity, elasticity, electrical conduction, magnetism and superconductivity. A wide-ranging exploration of potential AR candidates would ensure that crystal domain engineering yields unconventional methods to design functional multi-domain materials for a wide variety of purposes.

Spin gap in the weakly interacting quantum spin chain antiferromagnet KCuPOHO

Fujihara, Masayoshi; Hagihara, Masato; Morita, Katsuhiro*; Murai, Naoki; Koda, Akihiro*; Okabe, Hirotaka*; Mitsuda, Setsuo*

Physical Review B, 107(5), p.054435_1 - 054435_8, 2023/02

https://doi.org/10.1103/PhysRevB.107.054435

The = 1/2 Heisenberg linear chain antiferromagnet is the simplest spin model; nevertheless it serves as a platform for various quantum many-body phenomena. Here, we report the magnetic behavior of a quasi-one-dimensional antiferromagnet KCuPOHO. A long-range commensurate antiferromagnetic order with ordered moment 0.31(1) per spin occurs at = 11.7(1) K. Above , the inelastic neutron excitation is characterized by a two spinon continuum. The intrachain interaction and interchain interaction are estimated to be 172 K and 4.25(4) K, respectively; thus the ratio of the / = 0.0247(3). At lower energies, below , a spin gap is observed in the dispersive excitations. These results are consistent with characteristics observed in weakly interacting = 1/2 Heisenberg chain system.

Radiochemical research for the advancement of Mo/Tc generator by (n, ) method, 4

Fujita, Yoshitaka; Seki, Misaki; Ngo, M. C.*; Do, T. M. D.*; Hu, X.*; Yang, Y.*; Takeuchi, Tomoaki; Nakano, Hiroko; Fujihara, Yasuyuki*; Yoshinaga, Hisao*; et al.

KURNS Progress Report 2021, P. 118, 2022/07

https://www.rri.kyoto-u.ac.jp/PUB/report/PR/ProgRep2021/ProgressReport2021_online.pdf#page=134

no abstracts in English

Radiochemical research for the advancement of Mo/Tc generator by (n, ) method, 3

Fujita, Yoshitaka; Seki, Misaki; Namekawa, Yoji*; Nishikata, Kaori; Daigo, Fumihisa; Ide, Hiroshi; Tsuchiya, Kunihiko; Sano, Tadafumi*; Fujihara, Yasuyuki*; Hori, Junichi*; et al.

KURNS Progress Report 2020, P. 136, 2021/08

no abstracts in English

Gapless spin liquid in a square-kagome lattice antiferromagnet

Fujihara, Masayoshi*; Morita, Katsuhiro*; Mole, R.*; Mitsuda, Setsuo*; Toyama, Takami*; Yano, Shinichiro*; Yu, D.*; Sota, Shigetoshi*; Kuwai, Tomohiko*; Koda, Akihiro*; et al.

Nature Communications (Internet), 11, p.3429_1 - 3429_7, 2020/07

https://doi.org/10.1038/s41467-020-17235-z

Radiochemical research for the advancement of Mo/Tc generator by (n,) method

Fujita, Yoshitaka; Seki, Misaki; Namekawa, Yoji*; Nishikata, Kaori; Kimura, Akihiro; Shibata, Akira; Sayato, Natsuki; Tsuchiya, Kunihiko; Sano, Tadafumi*; Fujihara, Yasuyuki*; et al.

KURNS Progress Report 2018, P. 155, 2019/08

https://www.rri.kyoto-u.ac.jp/PUB/report/PR/ProgRep2018/KURNS_Progress_Report2018_web.pdf

no abstracts in English

Safe and rapid development of capillary electrophoresis for ultratrace uranyl ions in radioactive samples by way of fluorescent probe selection for actinide ions from a chemical library

Haraga, Tomoko; Ouchi, Kazuki; Sato, Yoshiyuki; Hoshino, Hitoshi*; Tanana, Rei*; Fujihara, Takashi*; Kurokawa, Hideki*; Shibukawa, Masami*; Ishimori, Kenichiro; Kameo, Yutaka; et al.

Analytica Chimica Acta, 1032, p.188 - 196, 2018/11

https://doi.org/10.1016/j.aca.2018.05.077

The development of safe, rapid and highly sensitive analytical methods for radioactive samples, especially actinide (An) ions, represents an important challenge. Here we propose a methodology for selecting appropriate emissive probes for An ions with very low consumption and emission of radioactivity by capillary electrophoresis-laser-induced fluorescence detection (CE-LIF), using a small chemical library of probes with eight different chelating moieties. It was found that the emissive probe, which possesses the tetradentate chelating moiety, was suitable for detecting uranyl ions. The detection limit for the uranyl-probe complex using CE-LIF combined with dynamic ternary complexation and on-capillary concentration techniques was determined to be 0.7 ppt. This method was successfully applied to real radioactive liquid samples collected from nuclear facilities.