Meso-timescale atomistic simulations on coalescence process of He bubbles in Fe by SEAKMC method

Yamamoto, Yojiro*; Hayakawa, Sho*; Okita, Taira*; Itakura, Mitsuhiro

Computational Materials Science, 229, p.112389_1 - 112389_9, 2023/10

https://doi.org/10.1016/j.commatsci.2023.112389

He bubbles are characteristic microstructures under fusion reactor conditions. They approach and coalesce through their own migration, which significantly impacts the microstructure and material properties. However, these processes, which involve multiple migrations of metal atoms, cannot be treated by molecular dynamics (MD) due to its timescale limitation. In this study, self-evolving atomistic kinetic Monte Carlo (SEAKMC) was used to expand the timescale and reproduce bubble coalescences in Fe. To enhance selections of events that led to the process by avoiding trivial events with an extremely low activation energy such as tiny vibrations of a He atom or short-range displacements of the Fe atom, we introduced two algorithms into SEAKMC, a two-step saddle point search for the former measure and setting a threshold for a displacement distance of the Fe atom for the latter. Furthermore, by adding another algorithm to set an upper bound for the activation energy to prevent selections of events with an impractically high activation energy, we succeeded to reproduce the change in the configuration from dumbbell to elliptical up to a simulated time of s, 8 orders longer than MD timescales. The developed method is effective for analyzing microstructures of metallic materials containing light elements and is the only method that can reach timescales comparable to those of experiments.

Molecular dynamics simulation to elucidate effects of spatial geometry on interactions between an edge dislocation and rigid, impenetrable precipitate in Cu

Tsugawa, Kiyoto*; Hayakawa, Sho*; Okita, Taira*; Aichi, Masaatsu*; Itakura, Mitsuhiro; Suzuki, Katsuyuki*

Computational Materials Science, 215, p.111806_1 - 111806_8, 2022/12

https://doi.org/10.1016/j.commatsci.2022.111806

Molecular dynamic simulations evaluating the effect of the stacking fault energy on defect formations in face-centered cubic metals subjected to high-energy particle irradiation

Terayama, Satoshi*; Iwase, Yuki*; Hayakawa, Sho*; Okita, Taira*; Itakura, Mitsuhiro; Suzuki, Katsuyuki*

Computational Materials Science, 195, p.110479_1 - 110479_12, 2021/07

https://doi.org/10.1016/j.commatsci.2021.110479

Thermally altered subsurface material of asteroid (162173) Ryugu

Kitazato, Kohei*; Milliken, R. E.*; Iwata, Takahiro*; Abe, Masanao*; Otake, Makiko*; Matsuura, Shuji*; Takagi, Yasuhiko*; Nakamura, Tomoki*; Hiroi, Takahiro*; Matsuoka, Moe*; et al.

Nature Astronomy (Internet), 5(3), p.246 - 250, 2021/03

https://doi.org/10.1038/s41550-020-01271-2

Here we report observations of Ryugu's subsurface material by the Near-Infrared Spectrometer (NIRS3) on the Hayabusa2 spacecraft. Reflectance spectra of excavated material exhibit a hydroxyl (OH) absorption feature that is slightly stronger and peak-shifted compared with that observed for the surface, indicating that space weathering and/or radiative heating have caused subtle spectral changes in the uppermost surface. However, the strength and shape of the OH feature still suggests that the subsurface material experienced heating above 300 C, similar to the surface. In contrast, thermophysical modeling indicates that radiative heating does not increase the temperature above 200 C at the estimated excavation depth of 1 m, even if the semimajor axis is reduced to 0.344 au. This supports the hypothesis that primary thermal alteration occurred due to radiogenic and/or impact heating on Ryugu's parent body.

An Event excess observed in the deeply bound region of the C missing-mass spectrum

Ichikawa, Yudai*; Fujita, Manami; Hasegawa, Shoichi; Hayakawa, Shuhei; Sako, Hiroyuki; Sato, Susumu; Tamura, Hirokazu; Tanida, Kiyoshi; Yamamoto, Takeshi; 36 of others*

Progress of Theoretical and Experimental Physics (Internet), 2020(12), p.123D01_1 - 123D01_34, 2020/12

https://doi.org/10.1093/ptep/ptaa139

A scattering experiment at J-PARC and the analysis status

Nakada, Yoshiyuki*; Hasegawa, Shoichi; Hayakawa, Shuhei*; Hosomi, Kenji; Ichikawa, Yudai; Imai, Kenichi; Nanamura, Takuya*; Naruki, Megumi*; Sako, Hiroyuki; Sato, Susumu; et al.

JPS Conference Proceedings (Internet), 26, p.023024_1 - 023024_5, 2019/11

https://doi.org/10.7566/JPSCP.26.023024

Search for excited state of hypernucleus in the J-PARC E13 experiment

Nakagawa, Manami*; Hasegawa, Shoichi; Hayakawa, Shuhei; Hosomi, Kenji; Ichikawa, Yudai; Imai, Kenichi; Sako, Hiroyuki; Sato, Susumu; Tamura, Hirokazu; Tanida, Kiyoshi; et al.

JPS Conference Proceedings (Internet), 26, p.023005_1 - 023005_3, 2019/11

https://doi.org/10.7566/JPSCP.26.023005

Screw dislocation-spherical void interactions in fcc metals and their dependence on stacking fault energy

Hayakawa, Sho*; Doihara, Kohei*; Okita, Taira*; Itakura, Mitsuhiro; Aichi, Masaatsu*; Suzuki, Katsuyuki*

Journal of Materials Science, 54(17), p.11509 - 11525, 2019/09

https://doi.org/10.1007/s10853-019-03716-0

Gamma-ray spectroscopy of single -hypernuclei at J-PARC; Results and perspective

Koike, Takeshi*; Hasegawa, Shoichi; Hayakawa, Shuhei*; Hosomi, Kenji; Ichikawa, Yudai; Imai, Kenichi; Sako, Hiroyuki; Sato, Susumu; Sugimura, Hitoshi; Tamura, Hirokazu; et al.

AIP Conference Proceedings 2130, p.020011_1 - 020011_9, 2019/07

https://doi.org/10.1063/1.5118379

Observation of a Be double-Lambda hypernucleus in the J-PARC E07 experiment

Ekawa, Hiroyuki; Ashikaga, Sakiko; Hasegawa, Shoichi; Hashimoto, Tadashi; Hayakawa, Shuhei; Hosomi, Kenji; Ichikawa, Yudai; Imai, Kenichi; Kimbara, Shinji*; Nanamura, Takuya; et al.

Progress of Theoretical and Experimental Physics (Internet), 2019(2), p.021D02_1 - 021D02_11, 2019/02

https://doi.org/10.1093/ptep/pty149