研究成果

1. Microgravity effects on nonequilibrium melt processing of neodymium titanate: thermophysical properties, atomic structure, glass formation, and crystallization,
   S. K. Wilke, A. Al-Rubkhi, C. Koyama, T. Ishikawa, H. Oda, B. Topper, E. Tsekrekas, D. Möncke, O. L. G. Alderman, V. Menon, J. Rafferty, E. Clark, A. L. Kastengren, C. J. Benmore, J. Ilavsky, J. Neuefeind, S. Kohara, M. SanSoucie, B. Phillips, R. Weber,
   npj-microgravity, 10, 26, (2024). (doi:doi.org/10.1038/s41526-024-00371-x)
2. Atomic environment of Pt in quasicrystal-forming Zr70Cu29Pt1 metallic glass,
   S. Kudo and A. Hirata,
   Mater. Trans., nan, nan, (2024). (doi:https://doi.org/10.2320/matertrans.MT-M2024007)
3. Formation of zirconium oxide crystal nucleus in the initial nucleation stage in aluminosilicate glass investigated by X-ray multiscale analysis,
   Y. Onodera, Y. Takimoto , H. Hijiya , Q. Li , H. Tajiri , T. Ina, S. Kohara,
   NPG Asia Mater., nan, nan, (2024). (doi:nan)
4. Nanophase separation in K1-xCaxC8 revealed by X-ray fluorescence holography and extended X-ray absorption fine structure,
   N. Happo, A. Kubota, X. Yang, R. Eguchi, H. Goto, M. Ikeda, K. Kimura, Y. Takabayashi, J. R. Stellhorn, S. Hayakawa, K.Hayashi, Y. Kubozono,
   Chemistry of Materials, 36, 4135-4143, (2024). (doi:10.1021/acs.chemmater.3c02832)
5. Antiferroelectricity of titanite-type oxide SrTiGeO5 and its potential for power electronics applications,
   T. Uohashi, T. Kuwano, M. Hagiwara, K.i Natori, K. Deguchi, and H. Taniguchi,
   Appl. Phys. Lett., 124, 182901, (2024). (doi:10.1063/5.0204239)
6. Unconventional Polarization Response in Titanite-type Oxides due to Hashed Antiferroelectric Domains,
   H. Taniguchi, T. Watanabe, T. Kuwano, A. Nakano, Y. Sato, M. Hagiwara, H. Yokota, and K. Deguchi,
   ACS Nano, 18, 14523, (2024). (doi:10.1021/acsnano.4c02168)
7. Origin of the Surface Facet Dependence in the Oxidative Etching of the Diamond (111) and (100) Surfaces from First-Principles Calculations,
   J. I. G. Enriquez, T. Yamasaki, M. Michiuchi, K. Inagaki, M. Geshi, I. Hamada, Y. Morikawa,
   J. Phys. Chem. C,, 128, 6294-6308, (2024). (doi:10.1021/acs.jpcc.3c08378)
8. Extraction of local structure differences in silica based on unsupervised learning,
   A. K. A. Lu, J. Lin, Y. Futamura, T. Sakurai, R. Tamura, T. Miyazaki,
   Phys. Chem. Chem. Phys., nan, nan, (nan). (doi:10.1039/D3CP06298H)
9. On atomic segregation in metallic glasses induced by shear deformation: A computer simulation study,
   E.N. Zanaeva, A.K.A. Lu, D.V. Louzguine-Luzgin ,
   Comp. Mater. Sci., 238, 112923, (2024). (doi:10.1016/j.commatsci.2024.112923)
10. Theoretical search of characteristic atoms in supported gold nanoparticles - a large-scale DFT study -,
    S. Li, T. Miyazaki, A. Nakata,
    Phys. Chem. Chem. Phys., nan, nan, (2024). (doi:10.1039/D4CP01094A )
11. CSIML: A cost-sensitive and iterative machine learning method for small and invalanced materials datasets,
    S. Li, A. Nakata,
    Chem. Lett., 53, upae090 , (2024). (doi:10.1093/chemle/upae090)
12. Direct observation of atomic density fluctuation originated from the first sharp diffraction peak in SiO2 glass,
    Akihiko Hirata, Shuya Sato, Motoki Shiga, Yohei Onodera, Koji Kimoto, Shinji Kohara,
    NPG Asia Materials, 16, 25, (2024). (doi:https://doi.org/10.1038/s41427-024-00544-w)
13. Imaging of Ultrafast Photoexcited Electron Dynamics in Pentacene Nanocrystals on Graphite Substrate,
    Masahiro Shibuta and Atsushi Nakajima,
    Nanoscale, nan, nan, (2024). (doi:https://doi.org/10.1039/D4NR00720D)
14. Simultaneous Control of Aluminum Atoms and Defects in the MOR Zeolite Framework by Postsynthetic Treatments,
    Y. Fujikawa, T. Yoshioka, K. Iyoki, T. Ohkubo, T. Okubo, and T. Wakihara,
    J. Phys. Chem. C, nan, nan, (2024). (doi:10.1021/acs.jpcc.4c01659)
15. Geometrical and Chemical Effects of Water Diffusion in Silicate Gels: Molecular Dynamics and Random Walk Simulations,
    T. Hatori, R. Matsubara, Y. Inagaki, K. Ishida, and T. Ohkubo,
    J. Am. Ceram. Soc, nan, nan, (2024). (doi:10.1111/jace.19935)
16. Fast computational approach with prior dimension reduction for three-dimensional chemical component analysis using CT data of spectral imaging,
    Motoki Shiga, Taisuke Ono, Kenichi Morishita, Keiji Kuno, Nanase Moriguchi,
    Microscopy, nan, nan, (2024). (doi:https://doi.org/10.1093/jmicro/dfae027)
17. Measuring the density, viscosity, and surface tension of molten titanates using electrostatic levitation in microgravity,
    S. K. Wilke, A. Al-Rubkhi, V. Menon, J. Rafferty, C. Koyama, T. Ishikawa, H. Oda, R. W. Hyers, R. C. Bradshaw, A. L. Kastengren, S. Kohara, M. SanSoucie, B. Phillips, R. Weber,
    Applied Physics Letter, nan, nan, (2024). (doi:doi: 10.1063/5.0198322)
18. Superstructure of Fe5-xGeTe2 determined by Te K-edge EXAFS and Te Kα XFH,
    Ritsuko Eguchi, Halubai Sekhar, Koji Kimura, Hirokazu Masai, Naohisa Happo, Mitsuki Ikeda, Yuki Yamamoto, Masaki Utsumi, Hidenori Goto, Yasuhiro Takabayashi, Hiroo Tajiri, Koichi Hayashi, and Yoshihiro Kubozono,
    ACS Omega, 9, 21287-21297, (2024). (doi:https://doi.org/10.1021/acsomega.4c01395)
19. Synthesis of hyperordered permanently densified silica glasses by hot compression above the glass transition temperature,
    S. Sato, M. Miyakawa, T. Taniguchi, Y. Onodera, K. Ohara, K. Ikeda, N. Kitamura, Y. Idemoto, S. Kohara,
    J. Ceram. Soc. Jpn., nan, nan, (2024). (doi:nan)
20. Development of instruments for imaging of local magnetic structure by magnetic neutron holography,
    T. Kanno, K. Ohoyama, H. Nakada, Y. Fukui, K. Yamakawa, S. Hoshi, M. Takano, Y. Kobayashi, Y. Tomimatsu, S. Takahashi, T. Oku, T. Okudaira, R. Kobayashi, S. Takada, M. Harada, K. Oikawa, Y. Inamura, T. Shishido, K. Sato, K. Hayashi,
    Nucl. Instrum. Methods Phys Res. A, 1064, 169349, (2024). (doi:https://doi.org/10.1016/j.nima.2024.169349)
21. Local structural modelling and local pair distribution function analysis for Zr-Pt metallic glass,
    A. Hirata, S. Tokuda, C. Nakajima, S. Zha,
    Sci. Rep., 14, 13322, (2024). (doi:https://doi.org/10.1038/s41598-024-64380-2)
22. Topochemical Fluoride Exchange Reaction with Anionic Electrons toward Fluoride-Ion Conduction in Layered Ba2–xAxNF1–x (A = Na, K),
    Nozomu Yasufuku, Ryoji Asahi, Alex Kutana, Masato Hagihara, Kazuhiro Mori, and Tsuyoshi Takami,
    Chemistry of Materials, 36, 5671, (2024). (doi:10.1021/acs.chemmater.4c00716)
23. Roadmap on methods and software for electronic structure based simulations in chemistry and materials,
    Volker Blum, Ryoji Asahi, Jochen Autschbach, Christoph Bannwarth, Gustav Bihlmayer, Stefan Blügel, Lori A. Burns, T. Daniel Crawford, William Dawson, Wibe Albert de Jong,
    Electronic Structure, nan, nan, (2024). (doi:10.1088/2516-1075/ad48ec)
24. Intermediate multidomain state in single-crystalline Mn-doped BiFeO3 Thin films during ferroelectric polarization switching,
    S. Nakashima, K. Kimura, N. Happo, A. K. R. Ang, Y. Yamamoto, H. Sekhar, A. I. Osaka, K. Hayashi, and H. Fujisawa,
    Scientific Reports, 14, 14358-1-9, (2024). (doi:nan)
25. Origin of the Surface Facet Dependence in the Thermal Degradation of the Diamond (111) and (100) Surfaces in Vacuum Investigated by Machine Learning Molecular Dynamics Simulations,
    John Isaac G. Enriquez, Harry Handoko Halim, Takahiro Yamasaki, Masato Michiuchi, Kouji Inagaki, Masaaki Geshi, Ikutaro Hamada, Yoshitada Morikawa,
    Carbon, 226, 119223, (2024). (doi:10.1016/j.carbon.2024.119223 )
26. Topologically defective lattice potential-based gain‐dissipative Ising annealer with large noise margin,
    Zhiqiang Liao, Siyi Tang, Md Shamim Sarker, Hiroyasu Yamahara, Munetoshi Seki, Hitoshi Tabata,
    Advanced Physics Research, nan, 2400035, (2024). (doi:10.1002/apxr.202400035)
27. Overdamped Ising machine with stochastic resonance phenomena in large noise condition,
    Zhiqiang Liao, Kaijie Ma, Md Shamim Sarker, Hiroyasu Yamahara, Munetoshi Seki, Hitoshi Tabata,
    Nonlinear Dynamics, 112, 8967-8984, (2024). (doi:10.1007/s11071-024-09486-y)
28. Robust QRS detection based on simulated degenerate optical parametric oscillator-assisted neural network,
    Zhiqiang Liao, Zhuozheng Shi, Md Shamim Sarker, Hitoshi Tabata,
    Heliyon, 10, e28903, (2024). (doi:10.1016/j.heliyon.2024.e28903)
29. Superstructure of Fe5-xGeTe2 by Te K-edge extended X-ray absorption fine structure and Te Kalpha X-ray fluorescence holography,
    E. Eguchi, H. Sekhar, H. Masai, N. Happo, M. Ikeda, Y. Yamamoto, M. Utsumi, H. Goto, Y. Takabayashi, H. Tajiri, K. Hayashi, Y. Kubozono,
    ACS omega , 9, 21287-21297, (2024). (doi:10.1021/acsomega.4c01395)
30. High dielectric breakdown strength of antipolar CaTiGeO5 ceramics sintered at optimized temperature,
    M. Hagiwaraa, T. Kuwano, H. Taniguchi, S. Fujihara,
    Ceramics International, nan, nan, (2024). (doi:nan)

1. Superatom Periodicity of Metal-Atom Encapsulated Silicon Cage Nanoclusters,
   中嶋　敦,
   CSI 2024 – Cluster–Surface Interactions for Energy Applications, Bernried, Germany, 2024.4.9.
2. 固体触媒による次世代型バイオマス変換プロセスの設計,
   中島清隆,
   第69回野依フォーラム, 名古屋大学, 2024.4.19.
3. Workshop: Which Types of Fiber Will Be the Most Suitable for Network Operators in the Near Future?,
   Madoka Ono,
   Optical Fiber Communication 2024 (OFC2024), San Diego, USA, 2024.4.24.
4. 低速電子顕微鏡によるグラフェンへのLi インターカレーションの動的観察,
   秋山了太,
   日本顕微鏡学会, 幕張メッセ, 2024.6.5.
5. 低温成長Bi系III-V族半導体の結晶欠陥制御とTHz波発生検出素子への応用,
   富永 依里子,
   電子情報通信学会 スマートインフォメディアシステム研究会6月SIS研究会, 広島大学 東広島キャンパス, 2024.6.7.
6. Visualizing Energy Levels of Lanthanides and Defects in Multicomponent Garnet Crystals by Mid Infrared Free Electron Laser,
   北浦　守,
   12th International Conference on Luminescent Detectors and Transformers of
   Ionizing Radiation, Latvia, 2024.6.17.
7. Large-scale DFT calculations on size- and site-dependences of electronic structures in metallic nanoparticle catalysts,
   Ayako Nakata,
   The 8th Japan-Czech-Slovakia (JCS) International Symposium on Theoretical Chemistry, Sapporo, 2024.6.20.
8. Acetal protection strategy in biomass conversion: reductive amination of acetal-protected HMF to 2,5-bis(aminomethyl)furan,
   Kiyotaka Nakajima,
   Taiwan International Conference on Catalysis 2024, 台湾・台北, 2024.6.20.
9. バイオ”に”学び、バイオ”を”学ぶエレクトロニクス,
   田畑 仁,
   日本学術振興会　R041委員会 第7回研究会, TOPPAN　小石川本社ビル, 2024.6.28.

1. 兵庫県立北摂三田高校 大学体験講座, 兵庫県立北摂三田高校, 2024/6/5, 小・中・高向け授業・実験・実習

総説・解説

1. ソフトウェア紹介：パーシステントホモロジーに基づくデータ解析ソフトウェア「HomCloud」による材料科学データ解析,
   大林一平,
   分子シミュレーション学会誌 "アンサンブル", 26(1), 83-90, (2024).
2. アモルファス材料の熱伝導率とトポロジカルデータ解析,
   南谷英美, 志賀拓麿, 柏木誠, 大林一平,
   固体物理, 58(6), 319-330, (2023).
3. Light-induced structural ordering of cryptochrome4 from European robin in the monomer-scale,
   S. Arai, R. Shimizu, M. Adachi, H. Masai, K. Kimura, M. Hirai,
   Photon Factory Activity Report 2024 (2023) （高エネルギー加速器研究機構）, (2024).
4. Structural ordering of cryptochrome4 form European robin in the oligomer-scale,
   S. Arai, R. Shimizu, M. Adachi, H. Masai, K. Kimura, M. Hirai,
   Photon Factory Activity Report 2024 (2023) （高エネルギー加速器研究機構）, (2024).
5. ゼオライトのトポロジーを有する非晶質シリカの創製,
   正井博和, 小原真司,
   New Glass, 39, 27–33, (2024).
6. Recent advances in atomic resolution three-dimensional holography,
   H. Daimon, T. Matsushita, F. Matsui, K. Hayashi, Y. Wakabayashi,
   Adv. Phys.: X, 2350161, (2024). (doi:10.1080/23746149.2024.2350161)
7. お碗型分子の結晶化におけるボウル反転と溶媒効果,
   燒山佑美,
   化学と工業, 77, 342-343, (2024).