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Rajeev, H. S.*; Hu, X.*; Chen, W.-L.*; Zhang, D.*; Chen, T.*; Kofu, Maiko*; Kajimoto, Ryoichi; Nakamura, Mitsutaka; Chen, A. Z.*; Johnson, G. C.*; et al.
Journal of the Physical Society of Japan, 94(3), p.034602_1 - 034602_14, 2025/03
Hase, Masashi*; Kaneko, Koji; Tabata, Chihiro; Yamauchi, Hiroki; Tsujii, Naohito*; Dnni, A.*
Physical Review B, 111(9), p.094403_1 - 094403_9, 2025/03
Inoue, Rintaro*; Oda, Takashi; Nakagawa, Hiroshi; Tominaga, Taiki*; Ikegami, Takahisa*; Konuma, Tsuyoshi*; Iwase, Hiroki*; Kawakita, Yukinobu; Sato, Mamoru*; Sugiyama, Masaaki*
Biophysical Journal, 124(3), p.540 - 548, 2025/02
May, A. F.*; Tabata, Chihiro; Okamoto, Satoshi*; Ortiz, B. R.*; Christianson, A. D.*; Yan, J.*; Kaneko, Koji; McGuire, M. A.*
Physical Review Materials (Internet), 9(2), p.024406_1 - 024406_13, 2025/02
Times Cited Count:0Maeda, Mizuho*; Matsuda, Tatsuma*; Haga, Yoshinori; Shirasaki, Kenji*; Kimura, Noriaki*
Journal of the Physical Society of Japan, 94(2), p.024707_1 - 024707_6, 2025/01
Times Cited Count:0Che, G.*; Fei, Y.*; Tang, X.*; Zhao, Z.*; Hattori, Takanori; Abe, Jun*; Wang, X.*; Ju, J.*; Dong, X.*; Wang, Y.*; et al.
Physical Chemistry Chemical Physics, 27(2), p.1112 - 1118, 2025/01
Times Cited Count:0 Percentile:0.00(Chemistry, Physical)Pressure-induced polymerization (PIP) of aromatic molecules has emerged as an effective method for synthesizing various carbon-based materials. In this work, PIP of 1,4-difluorobenzene (1,4-DFB) was investigated. high-pressure investigations of 1,4-DFB reveal a phase transition at approximately 12.0 GPa and an irreversible chemical reaction at 18.7 GPa. Structural analysis of the product and the kinetics of the reaction uncovered the formation of pseudohexagonal stacked fluoro-diamond nanothreads with linear growth. Compared to the crystal structures of benzene under high pressure, 1,4-DFB exhibits higher compression along the [001] axis. The anisotropic compression is attributed to the stronger H
interaction along the [01
] axis and the potential compression-inhibiting H
F interactions along the [100] and [010] axes, and it facilitates a possible reaction pathway along the [01
] axis. This work emphasizes the crucial role of functionalization in modulating molecular stacking and influencing the reaction pathway.
Jin, H.*; Choi, E. S.*; Wu, H.-C.*; Curro, N. J.*; Nawa, Kazuhiro*; Sato, Taku*; Kiyanagi, Ryoji; Ohara, Takashi; Klavins, P.*; Taufour, V.*
Physical Review B, 111(3), p.035103_1 - 035103_7, 2025/01
Times Cited Count:0 Percentile:0.00(Materials Science, Multidisciplinary)Mori, Michiyasu; Tomasello, B.*; Ziman, T.*
Physical Review B, 111(1), p.014407_1 - 014407_12, 2025/01
Times Cited Count:0Nii, Yoichi*; Yamamoto, Kei; Kanno, Masaki*; Maekawa, Sadamichi*; Onose, Yoshinori*
Physical Review Letters, 134(2), p.027001_1 - 027001_5, 2025/01
Times Cited Count:1Sato, Yusuke*; Fukaya, Yuki; 14 of others*
Physical Review Materials (Internet), 9(1), p.014002_1 - 014002_11, 2025/01
Times Cited Count:0no abstracts in English
Fujihara, Masayoshi; Hagihara, Masato; Koda, Akihiro*; Nakamura, Jumpei*; Matsuo, Akira*; Kindo, Koichi*; Ishikado, Motoyuki*
Physical Review Materials (Internet), 9(1), p.014406_1 - 014406_9, 2025/01
Times Cited Count:0Sato, Yuki; Kakuto, Takeshi*; Tanaka, Takayuki*; Shimano, Hiroyuki*
European Physical Journal; Special Topics, 10 Pages, 2025/00
Times Cited Count:0Xu, J.*; Lang, P.*; Liang, S.*; Zhang, J.*; Fei, Y.*; Wang, Y.*; Gao, D.*; Hattori, Takanori; Abe, Jun*; Dong, X.*; et al.
Journal of Physical Chemistry Letters (Internet), p.2445 - 2451, 2025/00
The Alder-ene reaction is a chemical reaction between an alkene with an allylic hydrogen, and it provides an efficient method to construct the C-C bond. Traditionally, this reaction requires catalysts, high temperatures, or photocatalysis. In this study, we reported a high-pressure-induced solid-state Alder-ene reaction of 1-hexene at room temperature without a catalyst. 1-Hexene crystallizes at 4.3 GPa and polymerizes at 18 GPa, forming olefins. By exploring gas chromatography-mass spectrometry, we discovered that 1-hexene generates dimeric products through the Alder-ene reaction under high pressures. The in situ neutron diffraction shows that the reaction process did not obey the topochemical rule. A six-membered ring transition state including one C-H bond and two alkene
bonds was evidenced by the theoretical calculation, whose energy obviously decreased when compressed to 20 GPa. Our work offers a novel and promising method to realize the Alder-ene reaction at room temperature without a catalyst, expanding the application of this important reaction.
Shiina, Yoko*; Kinoshita, Ryo*; Funada, Shuhei*; Matsuda, Makoto; Imai, Makoto*; Kawatsura, Kiyoshi*; Sataka, Masao*; Sasa, Kimikazu*; Kaneko, Toshiaki*; Tomita, Shigeo*
Physical Review A, 110(6), p.062826_1 - 062826_7, 2024/12
Times Cited Count:0 Percentile:0.00(Optics)Kotegawa, Hisashi*; Nakamura, Akira*; Huyen, V. T. N.*; Arai, Yuki*; To, Hideki*; Sugawara, Hitoshi*; Hayashi, Junichi*; Takeda, Keiki*; Tabata, Chihiro; Kaneko, Koji; et al.
Physical Review B, 110(21), p.214417_1 - 214417_8, 2024/12
Times Cited Count:0 Percentile:0.00(Materials Science, Multidisciplinary)Nakano, Masahiro*; Yamaguchi, Yuji; Furuta, Toshimasa*; Uozumi, Yusuke*
Physical Review C, 110(6), p.064620_1 - 064620_5, 2024/12
Times Cited Count:0 Percentile:0.00(Physics, Nuclear)Alpha-induced total reaction cross sections in the low-energy region below 400 MeV are investigated using an intranuclear cascade model based on the extended framework for nucleon- and deuteron-induced reactions. Experimental data for C,
Si,
Ca, and
Pb targets are reproduced well by calculations performed with reasonable parameters close to those determined in other studies. It is shown that two effects, namely, discrete level constraint (DLC) and the Coulomb effect, provide important contributions that depend on the incident- energy and target. The DLC effect is limited to a narrow region of low-energy and is very important in light targets. The Coulomb effect is decisive on cross sections in
Pb, while the DLC contribution for the heavy target is small. It is concluded that this trend in the contribution of both effects is consistent with proton- and deuteron-induced total reaction cross sections.
Hattori, Kazumasa*; Ishitobi, Takayuki; Tsunetsugu, Hirokazu*
Physical Review Research (Internet), 6(4), p.L042068_1 - L042068_7, 2024/12
Nagai, Yuki; Tomiya, Akio*
Journal of the Physical Society of Japan, 93(11), p.114007_1 - 114007_8, 2024/11
Times Cited Count:0 Percentile:0.00(Physics, Multidisciplinary)We proposed a new self-learning Monte Carlo method using Transformer, a key technology in generative AI. By using Transformer's Attention mechanism, which can infer the relevance of distant words in a sentence, we have constructed an effective model that can efficiently capture the long-range correlations that are important in the phase transitions in electronic systems. Furthermore, we reduce the number of parameters by incorporating symmetries that the system must satisfy, such as spin rotation and spatial translation, into the network. We also found a scaling law that the loss decreases as the number of layers is increased.
Kitagawa, Shunsaku*; Tokunaga, Yo; Sakai, Hironori; Kambe, Shinsaku; 11 of others*
Journal of the Physical Society of Japan, 93(12), p.123701_1 - 123701_5, 2024/11
Times Cited Count:1 Percentile:0.00(Physics, Multidisciplinary)Yoshimune, Wataru*; Higuchi, Yuki*; Song, F.; Hibi, Shogo*; Matsumoto, Yoshihiro*; Hayashida, Hirotoshi*; Nozaki, Hiroshi*; Shinohara, Takenao; Kato, Satoru*
Physical Chemistry Chemical Physics, 26(47), p.29466 - 29474, 2024/11
Times Cited Count:1 Percentile:58.13(Chemistry, Physical)