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.

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

Study of in nuclei through C spectrum at 1.8 GeV/ in the J-PARC E05 experiment

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

JPS Conference Proceedings (Internet), 26, p.023014_1 - 023014_4, 2019/11

https://doi.org/10.7566/JPSCP.26.023014

High-rate performance of a time projection chamber for an H-dibaryon search experiment at J-PARC

Kim, S. H.*; Ichikawa, Yudai; Sako, Hiroyuki; Hasegawa, Shoichi; Hayakawa, Shuhei*; Nanamura, Takuya*; Sato, Susumu; Tanida, Kiyoshi; Yoshida, Junya; 11 of others*

Nuclear Instruments and Methods in Physics Research A, 940, p.359 - 370, 2019/10

https://doi.org/10.1016/j.nima.2019.06.050

Atomistic simulations for the effects of stacking fault energy on defect formations by displacement cascades in FCC metals under Poisson's deformation

Hayakawa, Sho*; Okita, Taira*; Itakura, Mitsuhiro; Kawabata, Tomoya*; Suzuki, Katsuyuki*

Journal of Materials Science, 54(16), p.11096 - 11110, 2019/08

https://doi.org/10.1007/s10853-019-03688-1

Observation of a bound state in the C reaction at 1.8 GeV/

Nagae, Tomofumi*; Ekawa, Hiroyuki; Hasegawa, Shoichi; Hayakawa, Shuhei; Hosomi, Kenji; Ichikawa, Yudai; Imai, Kenichi; Kimbara, Shinji; Nanamura, Takuya*; Naruki, Megumi; et al.

AIP Conference Proceedings 2130, p.020015_1 - 020015_9, 2019/07

https://doi.org/10.1063/1.5118383

Interactions between clusters of self-interstitial atoms via a conservative climb in BCC-Fe

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

Philosophical Magazine, 98(25), p.2311 - 2325, 2018/06

https://doi.org/10.1080/14786435.2018.1486047

We conduct kinetic Monte Carlo simulations for the conservative climb motion of a cluster of self-interstitial atoms towards another SIA cluster in BCC Fe; the conservative climb velocity is inversely proportional to the fourth power of the distance between them, as per the prediction based on Einstein's equation. The size of the climbing cluster significantly affects its conservative climb velocity, while the size of the cluster that originates the stress field does not. The activation energy for the conservative climb is considerably greater than that derived in previous studies and strongly dependent on the climbing cluster size.