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更新日: 2018/03/31 13:29:43
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学術論文

accepted
  • "Molecular dynamics simulations of the thermal and transport properties of molten NaNO2-NaNO3 systems"
    T. Ohkubo, R. Ohnishi, V. Sarou-Kanian, C. Bessada, Y. Iwadate, Electrochem, accepted.
  • "亜鉛リン酸塩ガラスにおける熱膨張係数異常に資するカチオン-酸素ネットワーク(依頼)"
    小野寺 陽平, 小原 真司, 正井 博和, 是枝 聡肇, 大窪 貴洋, New Glass, accepted.
  • "Structural roles of V and Mo in borate and silicate glasses by solid-state NMR and Raman spectroscopies"
    K. Tsuryua, T. Ohkuboa, T. Kakihara, Y. Iwadatea, Phys. Chem. Glass B, accepted.
  • "Structural behavior of vanadium ions in alkaline borosilicate glass for nuclear waste storage"
    M. Suzuki, N. Umesaki, T. Tanaka, T. Ohkubo, T. Kakihara, T. Hashimoto, H. Kawashima, Phys. Chem. Glass B, accepted.
2018
  • "Molecular Dynamics Simulation of Water Confinement in Disordered Aluminosilicate Subnanopores"
    T. Ohkubo, S. Gin, M. Collin, Y. Iwadate, Sci. Rep., 8, 1-11, (2018).
  • "Insights from ab initio molecular dynamics simulations for a multicomponent oxide glass"
    T. Ohkubo, E. Tsuchida, K. Deguchi, S. Ohki, T. Shimizu, T. Otomo, Y. Iwadate, J. Am. Ceram. Soc., 101, 1122-1134, (2018).
  • "Correlation between emission properties, valance states of Ce and chemical compositions of alkaline earth borate glasses"
    A. Torimoto, H. Masai, G. Okada, N. Kawaguchi, T. Yanagida, T. Ohkubo, J. Lumin., 197, 98-103, (2018).
  • "Li conduction pathways in solid-state electrolytes: insights from dynamics and polarizability"
    T. Takahashi, K. Nagagiri, Y. Iwadate, F. Utsuno, H. Yamaguchi, T. Ohkubo, Chem. Phys. Lett., 698, 234-239, (2018).
2017
  • "NMR studies of water dynamics during sol-to-gel transition of poly (N-isopropylacrylamide) in concentrated aqueous solution"
    S. Kametania, S. Sekine, T. Ohkubo, T. Hirano, K. Ute, H.N. Chen, T. Asakura, Polymer, 109, 287296.0, (2017).
  • "Formation of metallic cation-oxygen network for anomalous thermal expansion coefficients in binary phosphate glass"
    Y. Onodera, S Kohara, H. Masai, A. Koreeda, S. Okumura, and T. Ohkubo, Nature Comm., 8, 1-8, (2017).
  • "Electrical Conductivity of Molten DyCl3-NaCl and DyCl3-KCl Systems: An Approach to Structural Interpretations of Rare Earth Chloride Melts"
    Y. Iwadate, and T. Ohkubo, Z. Naturforsch. Pt. A, 72, 1105-1112, (2017).
  • "Hydration of Bombyx mori silk cocoon, silk sericin and silk fibroin and their interactions with water as studied by 13C NMR and 2H NMR relaxation"
    T. Asakura, M. Endo, Y. Tasei, T. Ohkubo and T. Hiraoki, J. Mater. Chem. B, 5, 1624-1632, (2017).
  • "Luminescence of Sn2+ center in oxide glass with a tendency toward phase separation"
    H. Masai, S. Okumura, T. Ohkubo and T. Yanagida, Opt. Mater. Express, 7, 2993-3002, (2017).
  • "Carbon materials with controlled edge structures"
    Y. Yamada, S. Gohda, K. Abe, T. Togoa, N. Shimano, T. Sasaki, H. Tanaka, H. Ono, T. Ohba, S. Kubo, T. Ohkubo, S. Satoa, Carbon, 122, 694-701, (2017).
  • "Electronic Polarisability of NaNO2-NaNO3 and NaOH-NaNO3 Ionic Melts and Effective Ionic Radius of OH-"
    Y. Iwadate, R. Ohnishi and T. Ohkubo, Z. Naturforsch. Pt. A, 72, 71-76, (2017).
  • "ガラスの第一原理分子動力学計算(依頼)"
    大窪貴洋, 無機マテリアル学会誌, 24, 345-350, (2017).
2016
  • "Pore distribution of water-saturated compacted clay using NMR relaxometry and freezing temperature depression; effects of density and salt concentration"
    T. Ohkubo, M. Ibaraki, Y. Tachi, and Y. Iwadate, Appl. Clay. Sci., 123, 148-155, (2016).
  • "Photoluminescence of Sn2+ centre as probe of transient state of supercooled liquid"
    H. Masai, A. Koreeda, Y. Fujii, T. Ohkubo, and S. Kohara, Opt. Mater. Express, 6, 1827-1836, (2016).
  • "Diffusion model in consideration of multiple pore structure in compacted bentonite"
    K. Yotsuji, Y. Tachi, and T. Ohkubo, Clay Mineral Soc., 21, 251-257, (2016).
  • "二重共鳴核磁気共鳴法を利用したガラスの構造研究(依頼)"
    大窪 貴洋, New Glass, 31, 28-32, (2016).
  • "Ab Initio Molecular Dynamics Simulations and GIPAW NMR Calculations of a Lithium Borate Glass Melt"
    T. Ohkubo, E. Tsuchida, T. Takahashi, and Y. Iwadate, J. Phys. Chem. B, 120, 3582-3590, (2016).
2015
  • "Structural investigation of aluminoborosilicate glasses containing Na2MoO4 crystallites by solid state NMR"
    T. Ohkubo, R. Monden, K. Deguchi, S. Ohkuki, T. Shimizu, and Y. Iwadate, Phys. Chem. Glass B, 56, 139-144, (2015).
  • "Changes in Surface Structure of Sodium Aluminoborosilicate Glasses during Aqueous Corrosion Analyzed by using NMR"
    T. Ohkubo, K. Deguchi, S. Ohkuki, T. Shimizu, and Y. Iwadate, J. Phys. Chem. Solids, 77, 164-171, (2015).
  • "An adaptive finite-element method for large-scale ab initio molecular dynamics simulations"
    E. Tsuchida, Y.K. Choea, T. Ohkubo, Phys. Chem. Chem. Phys., 17, 31444-31452, (2015).
  • "高レベル放射性廃棄物の地層処分を支える無機材料と安全評価研究(依頼)"
    大窪 貴洋, 無機マテリアル学会誌, 22, 402-407, (2015).
  • "1H NMRを用いたセメント硬化体の細孔構造分析"
    米村 美紀, 北垣 竜馬, 大窪 貴洋, 金 志訓, セメント・コンクリート論文集, 37, 511-516, (2015).
2014
  • "Ionic Conductivity and Molecular Structure of a Molten xZnBr2-(1-x)ABr (A = Li, Na, K) System"
    T. Ohkubo, T. Tahara, K. Takahashi, and Y. Iwadate, Mater. Sci Forum., 151-158, (2014).
  • "Pulsed Neutron Diffraction Study of Molten CsCl-NaCl-YCl3: Approaches from Fundamentals to Pyrochemical Reprocessing"
    Y. Iwadate, T. Ohkubo, T. Michii, H. Matsuura, A. Kajinami, K. Takase, N. Ohtori, N. Umesaki, R. Fujita, K. Mizuguchi, H. Kofuji, M. Myochin, M. Misawa, T. Fukunaga, and K. Itoh, Mater. Sci Forum., 449-458, (2014).
  • "ラプラス逆変換と分析化学(依頼)"
    大窪 貴洋, ぶんせき, 11, 639-640, (2014).
  • "Time-Dependent Born Charges of Lithium Borate Melts by ab initio Molecular Dynamics"
    T. Ohkubo, E. Tsuchida, and Y. Iwadate, Chem. Phys. Lett., 18, 68-72, (2014).
2013
  • "緩和と拡散を利用した核磁気共鳴法による多孔質材料の研究(依頼)"
    大窪 貴洋, 岩舘 泰彦, 溶融塩および高温化学, 56, 128-136, (2013).
  • "First-principles Molecular Dynamics Simulation and Conductivity Measurements of a Molten xLi2O-(1-x)B2O3 System"
    T. Ohkubo, E. Tsuchida, M. Gobet, V. Sarou-Kanian, C. Bessada, Y. Iwadate, J. Phys. Chem. B, 117, 5668-5674, (2013).
  • "The local structure of liquid TiCl4 analyzed by X-ray diffraction and Raman spectroscopy"
    Y. Iwadate, T. Ohkubo, Z. Naturforsch. Pt. A, 68, 66-72, (2013).
  • "1H核磁気共鳴法によるセメント中の微細空隙構造の経時的観察"
    古瀬 佑馬, 高橋 貴文, 田中 徹, 大窪 貴洋, コンクリート工学論文集, 24, 67-73, (2013).
2012
  • "Deconvolution and Estimation of Water Diffusion in Sulfonated Polyethersulfone membranes using Diffusion-weighted Inversion Recovery"
    T. Ohkubo, A. Ohira, Y. Iwadate, J. Phys. Chem. Lett, 3, 1030-1034, (2012).
  • "Development of A SQUID-Based Low-Field NMR/MRI System"
    M. Miyamoto, J. Hatta, D. Oyama, Y. Adachi, J. Kawai, G. Uehara, T. Ohkubo, Phys. Procedia, 36, 162-165, (2012).
  • "Molecular Dynamics Simulations of Nafion and Sulfonated Poly Ether Sulfone Membranes. II. Dynamical Properties of Water and Hydronium"
    T. Ohkubo, K. Kidena, N. Takimoto, A. Ohira, J. Mol. Model., 18, 533-540, (2012).
  • "Self-diffusion Coefficient of Lithium in Molten Li2O-B2O3 System Using High-temperature PFG NMR"
    T. Ohkubo, M. Gobet, V. Sarou-Kanian, C. Bessada, M. Nozawa, Y. Iwadate, Chem. Phys. Lett., 530, 61-63, (2012).
2011
  • "Structural Study of Molten MgCl2 and MgCl2-LiCl System by X-ray Diffraction"
    T. Ohkubo, Y. Iwadate, J. Rare. Earths., 29, 55-58, (2011).
  • "Understanding Properties of Copoly(arylene ether nitrile)s-High Performance Polymer Electrolyte Membranes for Fuel Cells from Molecular Dynamics Simulations"
    T. Ohkubo, Y. Iwadate, Y. Kim, N. Hanson, Y. Choe, Theoretica. Chimica. Acta., 130, 555-561, (2011).
2010
  • "PFG-NMR approach to water transport mechanism in polymer electrolyte membranes conditioned at different temperature"
    K. Kidena, T. Ohkubo, N. Takimoto, A. Ohira, Euro. Polym. J., 46, 450-455, (2010).
  • "Molecular Dynamics Simulations of Nafion and Sulfonated Polyether Sulfone Membranes. I. Effect of Hydration on Aqueous Phase Structure"
    T. Ohkubo, K. Kidena, N. Takimoto, A. Ohira, J. Mol. Model., 17, 739-755, (2010).