Anisotropic electrical conductivity changes in FeTiO structure transition under high pressure

Yamanaka, Takamitsu*; Nakamoto, Yuki*; Sakata, Masafumi*; Shimizu, Katsuya*; Hattori, Takanori

Physics and Chemistry of Minerals, 51(1), p.4_1 - 4_10, 2024/02

https://doi.org/10.1007/s00269-023-01261-6

Neutron and synchrotron X-ray diffraction and electric conductivity measurements of FeTiO ilmenite were performed under pressures. Ilmenite structure is retained up to 28 GPa. Structure analysis revealed that FeO and TiO are compressible and less compressible below 8 GPa, respectively. The resistivity is lowest along the Fe-Ti direction that has shortest interatomic distance among all the metal ion pairs. The resistivity in the direction normal to c-axis monotonically decreases with pressure, whereas that along c-axis shows hallow-shape with pressure. Maximum entropy analysis shows that electron configuration of Fe (3) is more strongly changed than Ti (3) under compression. The anisotropic electrical conductivity and non-uniform structure change of Fe-Ti interatomic distance can be explained by the possible spin transition from high-spin state to intermediate-spin state of Fe cation.

Density, surface tension, and viscosity of molten Ni-based superalloys using the maximum bubble pressure and oscillating crucible methods

Nishi, Tsuyoshi*; Matsumoto, Saori*; Yamano, Hidemasa; Hayashi, Kiichiro*; Endo, Rie*; Bell, M. R.*; Neubert, L.*; Volkova, O.*

Steel Research International, p.2300766_1 - 2300766_6, 2024/00

https://doi.org/10.1002/srin.202300766

The density of Ni-based superalloys is measured using the maximum bubble pressure (MBP) method. The viscosity is evaluated using the oscillating crucible method. The surface tension is simultaneously measured using the MBP method.

Cavitation damage prediction in mercury target for pulsed spallation neutron sources by Monte Carlo simulation

Wakui, Takashi; Takagishi, Yoichi*; Futakawa, Masatoshi; Tanabe, Makoto*

Jikken Rikigaku, 23(2), p.168 - 174, 2023/06

Cavitation damage on the inner surface of the mercury target for the spallation neutron source occurs by proton bombarding in mercury. The prediction method of the cavitation damage using Monte Carlo simulations was suggested taking variability of the bubble core position and impact pressure distribution into account. The impact pressure distribution was estimated using the inverse analysis with Bayesian optimization was conducted with comparison between cavitation damage distribution obtained from experiment and the cumulative plastic strain distribution obtained from simulation. The average value and spread of maximum impact pressure estimated assuming the Gaussian distribution were 3.1 GPa and 1.2 m, respectively. Simulation results reproduced experimental results and it can be said that this evaluation method is useful.

Pressure engineering of van der Waals compound RhI; 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.*; Hattori, Takanori; et al.

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

https://doi.org/10.1016/j.mtphys.2023.101083

The layered van der Waals halides are particularly sensitive to external pressure, suggesting a feasible route to pinpoint their structure with extraordinary behavior. However, a very sensitive pressure response usually lead to a detrimental phase transition and/or lattice distortion, making the approach of materials manipulation in a continuous manner remain challenging. Here, the extremely weak interlayer coupling and high tunability of layered RhI crystals are observed. A pressure-driven phase transition occurs at a moderate pressure of 5 GPa, interlinking to a change of layer stack mode. Strikingly, such a phase transition does not affect the tendency of quasi-linear bandgap narrowing, and a metallization with an ultra-broad tunability of 1.3 eV redshift is observed at higher pressures. Moreover, the carrier concentration increases by 4 orders of magnitude at 30 GPa, and the photocurrent enhances by 5 orders of magnitude at 7.8 GPa. These findings create new opportunities for exploring, tuning, and understanding the van der Waals halides by harnessing their unusual feature of a layered structure, which is promising for future devices based on materials-by-design that are atomically thin.

Recent improvements of probabilistic fracture mechanics analysis code PASCAL for reactor pressure vessels

Lu, K.; Takamizawa, Hisashi; Katsuyama, Jinya; Li, Y.

International Journal of Pressure Vessels and Piping, 199, p.104706_1 - 104706_13, 2022/10

https://doi.org/10.1016/j.ijpvp.2022.104706

Abrupt change in electronic states under pressure in new compound EuPtAl

Koizumi, Takatsugu*; Honda, Fuminori*; Sato, Yoshiki*; Li, D.*; Aoki, Dai*; Haga, Yoshinori; Gochi, Jun*; Nagasaki, Shoko*; Uwatoko, Yoshiya*; Kaneko, Yoshio*; et al.

Journal of the Physical Society of Japan, 91(4), p.043704_1 - 043704_5, 2022/04

https://doi.org/10.7566/JPSJ.91.043704

Development of the high-power spallation neutron target of J-PARC

Haga, Katsuhiro; Kogawa, Hiroyuki; Naoe, Takashi; Wakui, Takashi; Wakai, Eiichi; Futakawa, Masatoshi

Proceedings of 19th International Topical Meeting on Nuclear Reactor Thermal Hydraulics (NURETH-19) (Internet), 13 Pages, 2022/03

The cross-flow type target was developed as the basic design of mercury target in J-PARC, and the design has been improved to realize the MW-class pulsed spallation neutron source. When the high-power and short-pulsed proton beam is injected into the mercury target, pressure waves are generated in mercury by rapid heat generation. The pressure waves induce the cavitation damages on the target vessel. Two countermeasures were adopted, namely, the injection of microbubbles into mercury and the double walled structure at the beam window. The bubble generator was installed in the target vessel to absorb the volume inflation of mercury and mitigate the pressure waves. Also, the double walled target vessel was designed to suppress the cavitation damage by the large velocity gradient of rapid mercury flow in the narrow channel of double wall. Finally, we could attain 1 MW beam operation with the duration time of 36.5 hours in 2020, and achieved the long term stable operation with 740 kW from April in 2021. This report shows the technical development of the high-power mercury target vessel in view of thermal hydraulics to attain 1 MW operation.

Data report of ROSA/LSTF experiment SB-PV-09; 1.9% pressure vessel top small break LOCA with SG depressurization and gas inflow

Takeda, Takeshi

JAEA-Data/Code 2021-006, 61 Pages, 2021/04

JAEA-Data-Code-2021-006.pdf:2.78MB

An experiment denoted as SB-PV-09 was conducted on November 17, 2005 using the Large Scale Test Facility (LSTF) in the Rig of Safety Assessment-V (ROSA-V) Program. The ROSA/LSTF experiment SB-PV-09 simulated a 1.9% pressure vessel top small-break loss-of-coolant accident in a pressurized water reactor (PWR). The test assumptions included total failure of high pressure injection system and non-condensable gas (nitrogen gas) inflow to the primary system from accumulator (ACC) tanks of emergency core cooling system (ECCS). In the experiment, liquid level in the upper-head was found to control break flow rate. When maximum core exit temperature reached 623 K, steam generator (SG) secondary-side depressurization was initiated by fully opening the relief valves in both SGs as an accident management (AM) action. The AM action, however, was ineffective on the primary depressurization until the SG secondary-side pressure decreased to the primary pressure. Meanwhile, the core power was automatically reduced when maximum cladding surface temperature of simulated fuel rods exceeded the pre-determined value of 958 K to protect the LSTF core due to late and slow response of core exit temperature. After the automatic core power reduction, loop seal clearing (LSC) was induced in both loops by steam condensation on the ACC coolant injected into cold legs. The whole core was quenched because of core recovery after the LSC. After the ACC tanks started to discharge nitrogen gas, the pressure difference between the primary and SG secondary sides became larger. After the continuous core cooling was confirmed through the actuation of low pressure injection system of ECCS, the experiment was terminated. This report summarizes the test procedures, conditions, and major observations in the ROSA/LSTF experiment SB-PV-09.

Nonmagnetic-magnetic transition and magnetically ordered structure in SmS

Yoshida, Shogo*; Koyama, Takehide*; Yamada, Haruhiko*; Nakai, Yusuke*; Ueda, Koichi*; Mito, Takeshi*; Kitagawa, Kentaro*; Haga, Yoshinori

Physical Review B, 103(15), p.155153_1 - 155153_5, 2021/04

https://doi.org/10.1103/PhysRevB.103.155153

Pressure-dependent structure of methanol-water mixtures up to 1.2 GPa; Neutron diffraction experiments and molecular dynamics simulations

Temleitner, L.*; Hattori, Takanori; Abe, Jun*; Nakajima, Yoichi*; Pusztai, L.*

Molecules (Internet), 26(5), p.1218_1 - 1218_12, 2021/03

https://doi.org/10.3390/molecules26051218

Total structure factors of per-deuterated methanol and heavy water, CDOD and DO, have been determined across the entire composition range at pressures of up to 1.2 GPa, by neutron diffraction. Largest variations due to increasing pressure were observed below 5 , mostly as shifts of the first and second maxima. Molecular dynamics computer simulations been conducted at the experimental pressures to interpret neutron diffraction results. The peak shifts mentioned above could be qualitatively reproduced by simulations. In order to reveal the influence of changing pressure on the local intermolecular structure, simulated structures have been analyzed in terms of hydrogen bond related partial radial distribution functions and size distributions of hydrogen bonded cyclic entities. Distinct differences between pressure dependent structures of water-rich and methanol-rich composition regions have been revealed.