Papers - OGATA Shuji

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  • Unveiling the Chemical Reactions Involved in Moisture-Induced Weakening of Adhesion between Aluminum and Epoxy Resin Reviewed International journal

    S. Ogata and M. Uranagase

    J. Phys. Chem. C   122   17748 - 17755   2018.07

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  • Large-scale DFT Simulation about Insertion and Extraction of Li’s for Quinons@SWCNT for Rechargeable Battery Reviewed International journal

    T. Tsuzuki, S. Ogata, M. Uranagase

    MRS Advences   3   1229 - 1234   2017.12

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    Authorship:Lead author   Language:English   Publishing type:Research paper (international conference proceedings)  

  • Smart MD-Sampling Method for Interfacial Free Energy between Polymer-grafted Substrate and Liquid Reviewed International journal

    Uranagase and S. Ogata

    MRS Advences   3   519 - 524   2017.12

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    Language:English   Publishing type:Research paper (international conference proceedings)  

    DOI: 10.1557/adv.2018.149

  • Combination of first-principles molecular dynamics and XANES simulations for LiCoO2-electrolyte interfacial reactions in a lithium-ion battery Reviewed International journal

    Tomoyuki Tamura, Masanori Kohyama, and Shuji Ogata

    Phys. Rev. B   96   035107   2017

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Moisture-Induced Reduction of Adhesion Strength between Surface Oxidized Al and Epoxy Resin: Dynamics Simulation with Electronc Structure Calculation Reviewed International journal

    Shuji Ogata, Yusuke Takahashi

    J. Phys. Chem. C   120   13630 - 13637   2016.08

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  • Enhanced Si-O Bond Breaking in Silica Glass by Water Dimer: A Hybrid Quantum-Classical Simulation Study Reviewed

    Takahisa Kouno, Shuji Ogata, Takaaki Shimada, Tomoyuki Tamura, and Ryo Kobayashi

    J. Phys. Soc. Jpn.   85   054601-1 - 054601-9   2016.04

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Thermal diffusion of correlated Li-ions in graphite: a hybrid quantum-classical simulation study Reviewed

    Nobuko Ohba, Shuji Ogata, Takahisa Kouno, and Ryoji Asahi

    Comp. Mater. Sci.   108   250 - 257   2015.09

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    Language:English   Publishing type:Research paper (scientific journal)  

  • A molecular dynamics study on thermal conductivity of thin epoxy polymer sandwiched between alumina fillers in heat-dissipation composite material Reviewed

    K. Tanaka, S. Ogata, R. Kobayashi, T. Tamura, and T. Kouno

    Int. J. Heat and Mass Transfer   89   714 - 723   2015.08

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    Language:English   Publishing type:Research paper (scientific journal)  

    DOI: 10.1016/j.ijheatmasstransfer.2015.05.080

  • Molecular dynamics and Monte Carlo hybrid simulation for fuzzy tungsten nanostructure formation Reviewed

    A.M. Ito, A. Takayama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata et al.

    Nucl. Fusion   55   073013-1 - 073013-11   2015.08

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Hybrid simulation research on formation mechanism of tungsten nanostructure induced by helium plasma irradiation Reviewed

    A.M Ito, A. Takayama, Y. Oda, T. Tamura, R. Kobayashi, T. Hattori, S. Ogata et al.

    J. Nuclear Material   463   109 - 115   2015.08

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    Language:English   Publishing type:Research paper (scientific journal)  

  • A molecular dynamics study on bubble growth in tungsten under helium irradiatio Reviewed

    R. Kobayashi, T. Hattori, T. Tamura, and S. Ogata

    J. Nuclear Material   463   1071 - 1074   2015.08

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Fluctuating Local Recrystallization of Quasi-Liquid Layer of Sub-Micrometer-Scale Ice: A Molecular Dynamics Study Reviewed

    Yasuhiro Kajima, Shuji Ogata, Ryo Kobayashi, Miyabi Hiyama, and Tomoyuki Tamura

    J. Phys. Soc. Jpn (Letter)   83   083601-1 - 083601-4   2014.07

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    Language:English   Publishing type:Research paper (scientific journal)  

  • First-principles investigation of possible clustering of noble gas atoms implanted in bcc tungsten Reviewed

    Tomoyuki Tamura, Ryo Kobayashi, Shuji Ogata, and Atsushi M. Ito

    Modelling Simul. Mater. Sci. Eng.   22   015002-1 - 015002-12   2014.01

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Enhanced Heat Transfer through Filler-Polymer Interface by Surface-Coupling Agent in Heat-Dissipation Material: A Non-equilibrium Molecular Dynamics Study Reviewed

    Kouichi Tanaka, Shuji Ogata, Ryo Kobayashi, Tomoyuki Tamura, Masashi Kitsunezuka, and Atsushi Shinma

    J. Appl. Phys.   114   193512-1 - 193512-8   2013.10

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Multi-Thousand-Atom DFT Simulation of Li-Ion Transfer through the Boundary between the Solid-Electrolyte Interface and Liquid Electrolyte in a Li-Ion Battery Reviewed

    Shuji Ogata, Nobuko Ohba, and Takahisa Kouno

    J. Phys. Chem. C.   117   17960 - 17968   2013.08

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  • A Monte Carlo Study of Host-Material Deformation Effect on Li Migration in Graphite Reviewed

    Ryo Kobayashi, Nobuko Ohba, Tomoyuki Tamura, and Shuji Ogata

    J. Phys. Soc. Jpn.   82   094603-1 - 094603-8   2013.06

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Fast Time-Reversible Algorithms for Molecular Dynamics of Rigid-Body Systems Reviewed

    Yashuhiro Kajima, Miyabi Hiyama, Shuji Ogata, Ryo Kobayashi, and Tomoyuki Tamura

    J. Chem. Phys.   136 ( 23 )   234105-1 - 8   2012.06

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Linear scaliing algorithm of real-space density functional theory of electrons with correlated overlapping domains Reviewed

    N. Ohba, S. Ogata, T. Kouno, T. Tamura, and R. Kobayashi

    Comput. Phys. Comm.   183   1664 - 1673   2012.05

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    Authorship:Lead author   Language:English   Publishing type:Research paper (scientific journal)  

  • Theoretical Mn K-edge XANES for Li2MnO3: DFT+U study Reviewed

    T. Tamura, T. Ohwaki, A. Ito, Y. Ohsawa, R. Kobayashi, and S. Ogata

    Modeling Simul. Mater. Sci. Eng.   20   045006-1 - 045006-9   2012.04

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    Language:English   Publishing type:Research paper (scientific journal)  

  • Enhanced thermal diffusion of Li in graphite by alternating vertical electric field: a hybrid quantum-classicall simulation study Reviewed

    N. Ohba, S. Ogata, T. Tamura, R. Kobayashi, S. Yamakawa, and R. Asahi

    Journal of physical society of Japan (Letter)   81   023601-1 - 023601-4   2012.01

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    Language:English   Publishing type:Research paper (scientific journal)  

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