Y.S. Xie, K. Shibata, and T. Mizoguchi,, "A brute-force code searching for cell of non-identical displacement for CSL grain boundaries and interfaces", Computer Physics Communications 273 (2022) 108260 （https://doi.org/10.1016/j.cpc.2021.108260）
検索結果一覧
S. Fujii, A. Seko,, "Structure and lattice thermal conductivity of grain boundaries in silicon by using machine learning potential and molecular dynamics", Computational Materials Science 204 (2022) 111137 （https://doi.org/10.1016/j.commatsci.2021.111137）
S. Fujii*, K. Funai, T. Yokoi, M. Yoshiya, "Grain-size dependence and anisotropy of nanoscale thermal transport in MgO", Appl. Phys. Lett. 119, 231604 (2021) （https://doi.org/10.1063/5.0075854）
Chuchu Yang, Bin Feng, Jiake Wei, Eita Tochigi, Naoya Shibata, Yuichi Ikuhara, "Atomic and electronic band structures of Y-doped Al2O3 grain boundaries", Journal of the Ceramic Society of Japan 130 [3] 286-289 2022 （http://doi.org/10.2109/jcersj2.21168）
S. Kiyohara, K. Kikumasa, K. Shibata, and T. Mizoguchi, "Determination of the Spectrum-structure Relationship by Tree Structure-based Unsupervised and Supervised Learning", Ultramicroscopy, 233 (2022) 113438-1-8. （https://doi.org/10.1016/j.ultramic.2021.113438）
Hai Jun Cho*, Yuzhang Wu, Jiajun Qi, Yuna Kim, and Hiromichi Ohta, Osamu Matsuda*, "Specular acoustic vibrational wave transmissions with the presence of phononic bandgaps”", J. Phys. Soc. Japan 91, 014601 (2022). （DOI: 10.7566/JPSJ.91.014601）
K. Liao, K. Shibata,and T. Mizoguchi, "Nanoscale Investigation of Local Thermal Expansion at SrTiO3 Grain Boundaries by Electron Energy Loss Spectroscopy", Nano Lett. 2021, 21, 24, 10416–10422 （https://doi.org/10.1021/acs.nanolett.1c03735）
Y. Kezuka, H. Murata, M. Yoshida, K. Eguchi, A. Nakahira, M. Tajika, "Effects of trace Si impurities in water on the growth of calcite nanoparticles", CrystEngComm, 24, 747-754 (2022) （https://pubs.rsc.org/en/content/articlelanding/2022/CE/D1CE01463C）
M. Tsubaki and T. Mizoguchi,, "Quantum Deep Descriptor: Physically Informed Transfer Learning from Small Molecules to Polymers", Journal of Chemical Theory and Computation, 17 (2021)7814-7821. （https://doi.org/10.1021/acs.jctc.1c00568）
K. Shinohara, A. Seko, T. Horiyama, I. Tanaka, "Finding well-optimized special quasirandom structures with decision diagram", Phys. Rev. Materials 5, (2021) 113803-1-13. （https://doi.org/10.1103/PhysRevMaterials.5.113803）
