研究成果

論文

招待講演

日本学会

国際学会

論文

2021

  1. Kazuya Takada, Tomoyuki Tamura, Hirotaka Maeda, and Toshihiro Kasuga. Diffusion of proton and sodium in a silicophosphate
    glass: Insight based on first-principles molecular dynamics simulations. Physical Chemistry Chemical Physics (PCCP)

2020

  1. Masayuki Karasuyama, Hiroki Kasugai, Tomoyuki Tamura, and Kazuki Shitara. Computational Design of Stable and Highly Ion-conductive Materials using Multi-objective Bayesian Optimization: Case Studies on Diffusion of Oxygen and Lithium. arXiv.org

2019

  1. Shinya Suzuki, Shion Takeno, Tomoyuki Tamura, Kazuki Shitara, Masayuki Karasuyama. Multi-objective Bayesian Optimization using Pareto-frontier Entropy. arXiv.org
  2. Tomoyuki Tamura, Masayuki Karasuyama. Active-learning-based efficient prediction of ab initio atomic energy: a case study on a Fe random grain boundary model with millions of atoms. arXiv.org

2018

  1. Y. Yonezu, T. Tamura. T. Takeuchi, M. Karasuyama. (2018). Knowledge-Transfer based Cost-effective Search for Interface Structures: A Case Study on fcc-Al [110] Tilt Grain Boundary. Physical Review Materials ( American Physical Society ).

2017

  1. Ryo Kobayashi, Tomoyuki Tamura, Ichiro Takeuchi, Shuji Ogata. (2017).  Development of Neural-Network Interatomic Potential for Structural Materials. Solid State Phenomena ( Trans Tech Publications ), 258, 69.
  2.  Tomoyuki Tamura, Masayuki Karasuyama, Ryo Kobayashi, Ryuichi Arakawa, Yoshinori Shiihara, Ichiro Takeuchi. (2017). Fast and scalable prediction of local energy at grain boundaries: machine-learning based modeling of first-principles calculations. Modelling and Simulation in Materials Science and Engineering ( IOP Publishing ), 25, 075003.
  3. Tomoyuki Tamura, Masanori Kohyama, and Shuji Ogata. (2017). Combination of first-principles molecular dynamics and XANES simulations for LiCoO2-electrolyte interfacial reactions in a lithium-ion battery. Phys. Rev. B, 96, 035107.
  4. H. Maeda, T. Tamura, T. Kasuga. (2017). Improving the biocompatibility of tobermorite by incorporating calcium phosphate clusters. Bio-Medical Materials and Engineering, 28, 31 – 36.
  5. H. Maeda, T. Tamura, T. Kasuga. (2017). Experimental and theoretical investigation of the structural role of titanium oxide in CaO-P2O5-TiO2 invert glass. J. Physical Chemistry B ( American Chemical Society ), 121, 5433 – 5438.
  6. Tomohiro Yonezu, Tomoyuki Tamura, Ichiro Takeuchi, Masayuki Karasuyama. (2017). Knowledge-Transfer based Cost-effective Search for Interface Structures: A Case Study on fcc-Al [110] Tilt Grain Boundary. arXiv.

2016

  1. T. Kouno, S. Ogata, T. Shimada, T. Tamura, R. Kobayashi. (2106). Enhanced Si–O Bond Breaking in Silica Glass by Water Dimer: A Hybrid Quantum–Classical Simulation Study. J. Phys. Soc. Jpn., 65, 054601-1 – 054601-9.
  2. R. Kobayashi, T. Tamura, I. Takeuchi, S. Ogata. (2016).  Development of Neural-Network Interatomic Potentials for Structural Materials. Solid State Phenomena, 258, 69 – 72.

2015

  1. A.M Ito, A. Takayama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata et al. (2015). Hybrid simulation research on formation mechanism of tungsten nanostructure induced by helium plasma irradiation. J. Nuclear Material, 463, 109 – 115.
  2. A.M. Ito, A. Takayama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata et al. (2015).  Molecular dynamics and Monte Carlo hybrid simulation for fuzzy tungsten nanostructure formation. Nucl. Fusion, 55, 073013-1 – 073013-11.
  3. K. Tanaka, S. Ogata, R. Kobayashi, T. Tamura, and T. Kouno. (2015). A molecular dynamics study on thermal conductivity of thin epoxy polymer sandwiched between alumina fillers in heat-dissipation composite material. Int. J. Heat and Mass Transfer, 89, 714 – 723.

2014

  1. Tamura, T., Kobayashi, R., Ogata, S., and Ito, A. M. (2014). First-principles investigation of possible clustering of noble gas atoms implanted in bcc tungsten. Modelling and Simulation in Materials Science and Engineering 22(1), 015002. doi:10.1088/0965-0393/22/1/015002
  2. Yasuhiro Kajima, Shuji Ogata, Ryo Kobayashi, Miyabi Hiyama, and Tomoyuki Tamura. (2014). Fluctuating Local Recrystallization of Quasi-Liquid Layer of Sub-Micrometer-Scale Ice: A Molecular Dynamics Study. J. Phys. Soc. Jpn (Letter), 83, 083601-1-083601-4

  3. Ryo kobayashi, Tatsunori Hattori, Tomoyuki Tamura, Shuji Ogata. (2014). A molecular dynamics study on bubble growth in tungsten under helium irradiation. Journal of Nuclear Materials, 463,1071 – 1074.

  4. 前田浩孝, 田村友幸, 春日敏宏. (2014). 層状構造をもつケイ酸カルシウム系骨修復材料へのリン酸カルシウムクラスターの導入. J. Soc. Inor. Mater. Jpn,368,49 – 53.

  5. S. Tanaka, M. Kitta, T. Tamura, Y. Maeda, T. Akita, M. Kohyama. (2014). Atomic and electronic structures of Li4Ti5O12/Li7Ti5O12 (001) interfaces by first-principles calculations. J. Material Science,49,4032 – 4037.

2013

  1. Kobayashi, R., Ohba, N., Tamura, T., & Ogata, S. A Monte Carlo Study of Host-Material Deformation Effect on Li Migration in Graphite, Journal of the Physical Society of Japan, 82, 094603 (2013). doi:10.7566/JPSJ.82.094603

2012

  1. Yashuhiro Kajima, Miyabi Hiyama, Shuji Ogata, Ryo Kobayashi, and Tomoyuki Tamura: Fast Time-Reversible Algorithms for Molecular Dynamics of Rigid-Body Systems, J. Chem. Phys., Vol. 136, Issue 23 (2012), 234105-1-8.
  2. N. Ohba, S. Ogata, T. Kouno, T. Tamura, and R. Kobayashi, Linear Scaling Algorithm of Real-space Density Functional Theory of Electrons with Correlated Overlapping Domains, Computer Physics Communications (2012) vol. 183 pp. 1664–1673.
  3. T. Tamura, T. Ohwaki, A. Ito, Y. Ohsawa, R. Kobayashi, and S. Ogata, Theoretical Mn K-edge XANES for Li 2MnO 3: DFT + U study, Modelling and Simulation in Materials Science and Engineering (2012) vol. 20 (4)pp.045006.doi.org/ 10.1088/0965-0393/20/4/045006
  4. N. Ohba, S. Ogata, T. Tamura, R. Kobayashi, S. Yamakawa, and R. Asahi, Enhanced Thermal Diffusion of Li in Graphite by Alternating Vertical Electric Field: A Hybrid Quantum-Classical Simulation Study, Journal of the Physical Society of Japan (2012) vol. 81 pp. 023601.

2011

  1. Tomoyuki Tamura, Masaru Sakurai, Takahide Nakamura, Ryo Kobayashi, and Shuji Ogata: Theoretical mechanical properties of silica glass: first-principles tensile tests, Trans. Mater. Res. Soc. Jpn, Vol.36, No.1 (2011) pp.35-40.
  2. N. Ohba, S. Ogata, T. Tamura, S. Yamakawa, and R. Asahi：A hybrid quantum-classical simulation study on stress-dependence of Li diffusivity in graphite，Computer Modeling in Engineering & Sciences, Vol. 75, No. 4 (2011) pp. 247-266.
  3. N. Ohba, S. Ogata, T. Tamura, S. Yamakawa, and R. Asahi：A hybrid quantum-classical simulation study on stress-dependence of Li diffusivity in graphite，Computer Modeling in Engineering & Sciences, Vol. 75, No. 4 (2011) pp. 247-266.

招待講演

2022

第2回マルチスケールマテリアルモデリングシンポジウム（第7回マルチスケール材料力学シンポジウム）(オンライン開催)

日本学会発表

2022

日本セラミックス協会 第35回秋季シンポジウム＠徳島大学

日本物理学会 2022年秋季大会＠東京工業大学

2021

第30回格子欠陥フォーラム(オンライン開催)

第30回日本MRS年次大会(オンライン開催)

日本金属学会2021年秋季講演大会(オンライン開催)

日本物理学会2021年度秋季大会(オンライン開催)

第31回日本MRS年次大会(オンライン開催)

国際学会発表