Computer Simulation Study of Nanoionics Phenomena

• Project/Area Number: 16079209
• Research Category: Grant-in-Aid for Scientific Research on Priority Areas
• Allocation Type: Single-year Grants
• Review Section: Science and Engineering
• Research Institution: Kumamoto University
• Principal Investigator: SHIMOJO Fuyuki Kumamoto University, 大学院・自然科学研究科, 准教授 (60253027)
• Co-Investigator(Kenkyū-buntansha): ANIYA Masaru 熊本大学, 大学院・自然科学研究科, 教授 (30221724) ; WATANABE Satoshi 東京大学, 大学院・工学系研究科, 教授 (00292772) ; 小山 敏幸 熊本大学, 物質・材料研究機構・計算材料科学研究センター, 主任研究員 (80225599)
• Project Period (FY): 2004 – 2008
• Project Status: Completed (Fiscal Year 2008)
• Budget Amount: ¥52,600,000 (Direct Cost: ¥52,600,000); Fiscal Year 2008: ¥8,100,000 (Direct Cost: ¥8,100,000); Fiscal Year 2007: ¥7,900,000 (Direct Cost: ¥7,900,000); Fiscal Year 2006: ¥7,900,000 (Direct Cost: ¥7,900,000); Fiscal Year 2005: ¥16,900,000 (Direct Cost: ¥16,900,000); Fiscal Year 2004: ¥11,800,000 (Direct Cost: ¥11,800,000)
• Keywords: 表面・界面物性 / ナノ材料 / 格子欠陥 / シミュレーション / 燃料電池 / プロトン / ペロブスカイト型酸化物 / 分子吸着 / 表面 / 界面 / 第一原理 / 水素 / 表面再構成

Research Abstract

実験グループと密接な連携の下,第一原理的手法を中心とした種々の理論的方法を駆使して,固体酸化物燃料電池の電極特性や原子スイッチ素子の機能等を調べた。具体的には、(1)気体/金属電極/酸化物の三相界面おける水分子や水素分子の反応過程、(2)金属-イオン伝導体接合系における伝動イオンの動きと電圧を印加することによる影響、更に、(3)種々の超イオン伝導体やイオン伝導性ガラスにおける輸送現象を解明した。

Research Products

• [Journal Article] Absorption Mechanism of Proton on Perovskite Oxide Surface (2008)
  • Author(s): F. Shimojo
  • Journal Title: Solid State Ionics 179 Pages: 807-810
  • Peer Reviewed
• [Journal Article] Mechanism of Atomic Diffusion in Liquid B2O3 : an ab initio Molecular-Dynamics Study (2008)
  • Author(s): S. Ohmura and F. Shimojo
  • Journal Title: Phys. Rev. B 78
  • Peer Reviewed
• [Journal Article] Medium Range Structure and Power Law Conductivity Dispersion in Superionic Glasses (2008)
  • Author(s): M. Aniya
  • Journal Title: J. Non-Cryst. Solids 354 Pages: 365-369
  • NAID: 120002465862
  • Peer Reviewed
• [Journal Article] A Hydrodynamic Model for the Collective Motion in Ag-Cu-Se (2008)
  • Author(s): M. Ikeda and M. Aniya
  • Journal Title: Solid State Ionics 179 Pages: 761-764
  • NAID: 120002468400
  • Peer Reviewed
• [Journal Article] Excess-silver-induced bridge formation in a silver sulfide atomic switch (2008)
  • Author(s): Z. Wang, T. Gu, T. Tada, and S. Watanabe
  • Journal Title: Appl. Phys. Lett. 93
  • Peer Reviewed
• [Journal Article] Migration of Ag in low-temperature Ag2S from first principles (2008)
  • Author(s): Z. Wang, T. Gu, T. Kadohira, T. Tada, and S. Watanabe
  • Journal Title: J. Chem. Phys. 128
  • Peer Reviewed
• [Journal Article] Electronic Processes in Fast Thermite Reaction : A First-Principles Molecular Dynamics Study (2008)
  • Author(s): F. Shimojo
  • Journal Title: Phys. Rev. E 77 Pages: 66103-66103
  • Peer Reviewed
• [Journal Article] Concentration dependence of structural and bonding properties of liquid TI-Se alloys by ab initio molecular-dynamics simulations (2008)
  • Author(s): A. Koura
  • Journal Title: Phys. Rev. B 78 Pages: 104203-104203
  • Peer Reviewed
• [Journal Article] Mechanism of Atomic Diffusion in Liquid B_2O_3 : an ab initio Molecular-Dynamics Study (2008)
  • Author(s): S. Ohmura
  • Journal Title: Phys. Rev. B 78 Pages: 224206-224206
  • Peer Reviewed
• [Journal Article] Medium Range Structure and Power Law Conductivity Dispersion in Superionic Glasses (2008)
  • Author(s): Masaru Aniya
  • Journal Title: J.Non-Cryst.Solids 354 Pages: 365-369
  • NAID: 120002465862
  • Peer Reviewed
• [Journal Article] A Hydrodynamic Model for the Collective Motion in Ag-Cu-Se (2008)
  • Author(s): Masahiro Ikeda
  • Journal Title: Solid State Ionics 179 Pages: 761-764
  • Peer Reviewed
• [Journal Article] Excess-silver-induced bridge formation in a silver sulfide atomic switch (2008)
  • Author(s): Zhongchang Wang
  • Journal Title: Appl. Phys. Lett 93 Pages: 152106-152106
  • Peer Reviewed
• [Journal Article] Static and dynamic structure and the atomic dynamics of liquid Ge from first-principles molecular-dynamics simulations (2008)
  • Author(s): S. Munejiri
  • Journal Title: Phys. Rev. B 77 Pages: 14206-14206
  • Peer Reviewed
• [Journal Article] Divide-and-Conquer Density Functional Theory on Hierarchical Real-Space Grids : Parallel Implementation and Applications (2008)
  • Author(s): F. Shimojo
  • Journal Title: Phys. Rev. B 77 Pages: 85103-85103
  • Peer Reviewed
• [Journal Article] Pressure-induced Structural Changes in Liquid Cadmium Telluride : abinitio Molecular-Dynamics Study (2008)
  • Author(s): Y. Miyata
  • Journal Title: Phys. Rev. B 77 Pages: 125217-125217
  • Peer Reviewed
• [Journal Article] Reconstruction of carbon atoms around a point defect of a graphene : ahybrid quantum/classical molecular-dynamics simulation (2008)
  • Author(s): Y. Kowaki
  • Journal Title: J. Phys. : Condens. Matter 21 Pages: 64202-64202
  • Peer Reviewed
• [Journal Article] Metascalable molecular dynamics simulation of nano-mechano-chemistry (2008)
  • Author(s): F. Shimojo
  • Journal Title: J. Phys. : Condens. Matter 20 Pages: 294204-294204
  • Peer Reviewed
• [Journal Article] Ab initio Molecular-Dynamics Study of Atomic Diffusion in Liquid B_2O_3 under Pressure (2008)
  • Author(s): S. Ohmura
  • Journal Title: Phys. Rep. Kumamoto Univ 13 Pages: 79-86
• [Journal Article] Migration of Ag in low-temperature Ag_2S from first principles (2008)
  • Author(s): Z. Wang
  • Journal Title: J. Chem. Phys., 128 (2008). 128 Pages: 147046-147046
  • Peer Reviewed
• [Journal Article] Ab initio study of proton dynamics on perovskite oxide surfaces (2007)
  • Author(s): F. Shimojo
  • Journal Title: Sci. & Technol. Adv. Mater 8 Pages: 504-510
  • NAID: 120005666355
  • Peer Reviewed
• [Journal Article] Hydrogen desorption from nanostructured graphite : ab initio molecular-dynamics studies (2007)
  • Author(s): A. Harada, F. Shimojo, and K. Hoshino
  • Journal Title: J. Phys. : Condens. Matter 19
  • Peer Reviewed
• [Journal Article] Ab initio study of proton dynamics on perovskite oxide surfaces (2007)
  • Author(s): F. Shimojo
  • Journal Title: Sci. & Technol. Adv. Mater. 8 Pages: 504-510
  • NAID: 120005666355
  • Peer Reviewed
• [Journal Article] Dynamic structure of molten CuI: ab initio molecular-dynamics simulations (2007)
  • Author(s): F. Shimojo
  • Journal Title: J. Non-Cryst. Solids 353 Pages: 3505-3509
  • Peer Reviewed
• [Journal Article] Structure of fluid Rb: ab initio molecular-dynamics simulations (2007)
  • Author(s): F. Shimojo
  • Journal Title: J. Non-Cryst. Solids 353 Pages: 3492-3494
  • Peer Reviewed
• [Journal Article] Nonequilibrium Quantum Transport Properties of a Silver Atomic Switch (2007)
  • Author(s): Z. Wang
  • Journal Title: Nano Lett. 7 Pages: 2688-2692
  • Peer Reviewed
• [Journal Article] A Model for the Fragility of Metallic Glass Forming Liquids (2007)
  • Author(s): M. Aniya
  • Journal Title: Mater. Trans. 48 Pages: 1793-1796
  • NAID: 130004453632
  • Peer Reviewed
• [Journal Article] A Possible Relationship Between the Composition Dependence of Ag Photodissolution and Fragility in Amorphous Ge-S (2007)
  • Author(s): M. Aniya
  • Journal Title: J. Mater. Sci.: Mater. Electron. 18 Pages: 247-250
  • NAID: 120002465867
  • Peer Reviewed
• [Journal Article] Hydrogen desorption from nanostructured graphite: ab initio molecular-dynamics studies (2007)
  • Author(s): A. Harada
  • Journal Title: J. Phys.: Condens. Matter 19 Pages: 3652097-3652097
  • Peer Reviewed
• [Journal Article] A divide-and-conquer/cellular-decomposition framework for million-to-billionatom simulations of chemical reactions (2007)
  • Author(s): A. Nakano
  • Journal Title: Comput. Mater. Sci. 38 Pages: 642-652
  • Peer Reviewed
• [Journal Article] RDX (1,3,5-trinitro-1,3,5-triazine) decomposition and chemisorption on Al (111) surface: first-principles molecular dynamics study (2007)
  • Author(s): N. Umezawa
  • Journal Title: J Chem. Phys. 126 Pages: 2347027-2347027
  • Peer Reviewed
• [Journal Article] Radius dependence of the melting temperature of single-walled carbon nanotube: molecular-dynamics simulations (2007)
  • Author(s): Y. Kowaki
  • Journal Title: J. Phys.: Condens. Matter 19 Pages: 4362249-4362249
  • Peer Reviewed
• [Journal Article] Pressure induced structural change of liquid InAs and the systematics of liquid III-V compounds (2007)
  • Author(s): T. Hattori
  • Journal Title: Phys. Rev. B 76 Pages: 14420610-14420610
  • Peer Reviewed
• [Journal Article] Ab initio Molecular-Dynamics Simulations of Superionic Phases of Cu Halides and Ag Chalcogenides (2007)
  • Author(s): F.Shimojo
  • Journal Title: SUPERIONIC CONDUCTOR PHYSICS (World Scientific) Pages: 61-66
• [Journal Article] Pressure Dependence of the Effective Charge in Copper Halides (2007)
  • Author(s): M.Aniya
  • Journal Title: SUPERIONIC CONDUCTOR PHYSICS (World Scientific) Pages: 57-60
  • NAID: 110002062954
• [Journal Article] Effects of Cu alloying on structural and electronic properties in amorphous Cux(As0.4S0.6)1-x : ab initio molecular-dynamics simulations (2006)
  • Author(s): F. Shimojo and M. Aniya
  • Journal Title: Phys. Rev. B 73
  • Peer Reviewed
• [Journal Article] Effects of Cu alloying on structural and electronic properties inamorphous Cu_x(As_<0.4>S_<0.6>)_<1-x> : ab initio molecular-dynamics simulations (2006)
  • Author(s): F.Shimojo
  • Journal Title: Phys. Rev. B 73
• [Journal Article] Ab initio Molecular-Dynamics Study of Static Structure and Bonding Properties of Molten AgI (2006)
  • Author(s): F.Shimojo
  • Journal Title: J. Phys. Soc. Jpn. 75
  • NAID: 110004852763
• [Journal Article] Chain Structure and Electronic States of Liquid Rb-Se Mixtures by ab initio Molecular-Dynamics Simulations (2006)
  • Author(s): F.Shimojo
  • Journal Title: Phys. Rev. B 74
  • NAID: 120005666354
• [Journal Article] Atomic structure and bonding properties in amorphous Cu_x(As_2S_3)_<1-x> by ab initio molecular-dynamics simulations (2006)
  • Author(s): M.Aniya
  • Journal Title: J. Non-Cryst. Solids 352 Pages: 1510-1513
• [Journal Article] Coupled motions of ions and electrons in some superionic conductors : an ab initio molecular dynamics study (2006)
  • Author(s): M.Aniya
  • Journal Title: Solid State Ionics 177 Pages: 1567-1572
• [Journal Article] Thermodynamic Properties of Ag_2O-B_2O_3 Glasses by a Modified Scale-Transformed Energy Space Sampling Monte Carlo Method (2006)
  • Author(s): H.Nakamura
  • Journal Title: J. Comput. Chem. 27 Pages: 471-477
• [Journal Article] High Pressure Phases of InP : An ab initio and Molecular-Dynamics Study (2006)
  • Author(s): P.S.Branicio
  • Journal Title: Appl. Phys. Lett. 88
• [Journal Article] Submatrix inversion approach to the ab initio Green' s function method for electrical transport (2006)
  • Author(s): T.Tada
  • Journal Title: J. Surf. Sci. Nanotechnol 4 Pages: 484-489
• [Journal Article] 第一原理的手法を用いた液体の理論研究と中性子実験 (2006)
  • Author(s): 下條 冬樹
  • Journal Title: 波紋(日本中性子科学会誌) 16 Pages: 40-43
  • NAID: 130001998467
• [Journal Article] A Note on the Asymptotic Long Time Behavior of the Velocity Autocorrelation Function (2006)
  • Author(s): T.Indoh
  • Journal Title: Phys. Rep. Kumamoto Univ. 12 Pages: 301-303
• [Journal Article] Pressure Dependence of Ag Diffusion in Ag_3SI : A Preliminary Molecular Dynamics Study (2006)
  • Author(s): M.Yarimitsu
  • Journal Title: Phys. Rep. Kumamoto Univ. 12 Pages: 295-299
• [Journal Article] Numerical Procedures for Generating Ultrasoft Pseudopotentials (2006)
  • Author(s): T.Sugahara
  • Journal Title: Phys. Rep. Kumamoto Univ. 12 Pages: 279-294
• [Journal Article] Diffusion Mechanism of Ag ions in Superionic Conductor Ag_2Se from ab initio Molecular-Dynamics Simulations (2005)
  • Author(s): 下條 冬樹
  • Journal Title: J.Phys. Soc. Jpn. 74巻 Pages: 1224-1230
  • NAID: 110001979516
• [Journal Article] Collective Motion in Liquid Silver Chalcogenides (2005)
  • Author(s): 小川 弘晃
  • Journal Title: J.Phys. Soc. Jpn. 74巻 Pages: 2265-2269
• [Journal Article] Defect interactions and the superionic transition temperature : a comparative study (2005)
  • Author(s): 安仁屋 勝
  • Journal Title: J.Phys. Chem Solids 66巻 Pages: 288-291
• [Journal Article] Bonding trend in zinc-blende structure binary compounds : A clue to understand superionic conductors (2005)
  • Author(s): 安仁屋 勝
  • Journal Title: Mater. Chem. Phys. 93巻 Pages: 478-480
• [Journal Article] Temperature dependence of the chemical bonding and ion dynamics in Cul (2005)
  • Author(s): 安仁屋 勝
  • Journal Title: Solid State Ionics 176巻 Pages: 2481-2486
• [Journal Article] Dynamic properties of AgI_<1-x>Cl_x : A molecular-dynamics study (2005)
  • Author(s): 濱川 真也
  • Journal Title: Solid State Ionics 176巻 Pages: 2471-2475
• [Journal Article] Molecular Dynamics Simulation of the Phase Behavior of AgI_<1-x>Cl_x. (2005)
  • Author(s): 濱川 真也
  • Journal Title: J.Therm. Anal. Cal. 81巻 Pages: 559-562
• [Journal Article] Structural and electronic properties of liquid arsenic sulfide at high temperatures : ab initio molecular-dynamics simulations (2005)
  • Author(s): 下條 冬樹
  • Journal Title: J.Phys. Soc. Jpn. 74巻 Pages: 621-625
  • NAID: 110001979422
• [Journal Article] Embedded Divide-and-Conquer Algorithm on Hierarchical Real-Space Grids : Linear-Scaling Density Functional Theory (2005)
  • Author(s): 下條 冬樹
  • Journal Title: Comput. Phys. Commun. 167巻 Pages: 151-164
• [Journal Article] Pressure-Induced Structural Change of Liquid Carbon Studied by ab initio Molecular-Dynamics Simulations (2005)
  • Author(s): 原田 晶子
  • Journal Title: J.Phys. Soc. Jpn. 74巻 Pages: 2017-2024
• [Journal Article] A Desorption Mechanism of Hydrogen Atoms Adsorbed on a Graphite Layer : ab initio Molecular-Dynamics Simulations (2005)
  • Author(s): 原田 晶子
  • Journal Title: J.Phys. Soc. Jpn. 74巻 Pages: 2270-2276
• [Journal Article] Ab Initio Caluculation of Capacitance of Nanostructures (2005)
  • Author(s): 渡邉 聡
  • Journal Title: Jpn.J. Appl. Phys. 44巻 Pages: 5345-5353
• [Journal Article] 計算機シミュレーションで見るペロブスカイト型酸化物中のプロトン伝導メカニズム (2005)
  • Author(s): 下條 冬樹
  • Journal Title: 月刊「マテリアルインテグレーション」 18巻 Pages: 37-41
• [Journal Article] ナノスケール物性計測のシミュレーション (2005)
  • Author(s): 渡邉 聡
  • Journal Title: 応用物理 74巻 Pages: 1075-1080
  • NAID: 10016614727
• [Journal Article] Defect Interactions and the Superionic Transition Temperature : A Comparative Study (2005)
  • Author(s): 安仁屋勝
  • Journal Title: Journal of Physical Chemistry of Solids 66巻 Pages: 288-291
• [Journal Article] The semiconductor-metal transition in the liquid In_2Te_3 studied by ab initio molecular-dynamics simulations (2004)
  • Author(s): 後藤隆一
  • Journal Title: Journal of the Physical Society of Japan 73巻 Pages: 956-963
• [Journal Article] Environmental Effects of H_2O on Fracture Initiation in Silicon : A Hybrid Electronic-Density-Functional/Molecular-Dynamics Study (2004)
  • Author(s): 尾形修司
  • Journal Title: Journal of Applied Physics 95巻 Pages: 5316-5323
• [Journal Article] Anomalous Cation-Cation Interactions in Molten CuI : ab initio Molecular-Dynamics Simulations (2004)
  • Author(s): 下條冬樹
  • Journal Title: Journal of the Physical Society of Japan 73巻 Pages: 2148-2153
  • NAID: 110001954949
• [Journal Article] Medium range order in oxide and chalcogenide superionic glasses : A comparative study by using the average electronegativity (2004)
  • Author(s): 安仁屋勝
  • Journal Title: Journal of Non-Crystalline Solids 341巻 Pages: 110-114
• [Journal Article] Atomistic mechanisms for wurtzite-to-rocksalt structural transformation in cadmium selenide under pressure (2004)
  • Author(s): 下條冬樹
  • Journal Title: Physical Review B 70巻
• [Journal Article] Coupled motions of ions and electrons in some superionic conductors : an ab initio molecular dynamics study
  • Author(s): M. Aniya and F. Shimojo
  • Journal Title: Solid State Ionics 177 Pages: 1567-1572
• [Presentation] 第一原理分子動力学法による液体B_2O_3の構造と拡散機構の圧力依存性II (2009)
  • Author(s): 大村訓史
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-30
• [Presentation] 第一原理分子動力学法による液体Se_<0.5>Cl_<0.5>の動的性質 (2009)
  • Author(s): 古賀章浩
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-30
• [Presentation] 第一原理分子動力学法によるLiH表面とアンモニアの相互作用 (2009)
  • Author(s): 山根阿樹
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-30
• [Presentation] 拡散力モデルによる銀や銅ハライドの融解 (2009)
  • Author(s): 貞国治人
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-29
• [Presentation] イオン伝導と非線形光学 : 電子・イオン相互作用の効果 (2009)
  • Author(s): 池田祥典
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-29
• [Presentation] イオン導電性ポリマーにおける協同運動の温度領域 (2009)
  • Author(s): ドゥーグ・ジャーン・レオポルト
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-29
• [Presentation] イオン導電体の熱膨張とイオン拡散の活性化エネルギーII (2009)
  • Author(s): 谷口祥
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-29
• [Presentation] 表面でのイオン拡散 : 解析的速度相関関数によるアプローチ (2009)
  • Author(s): 犬童貴樹
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-29
• [Presentation] イオン液体の粘性と輸送特性に対するモデル (2009)
  • Author(s): 池田昌弘
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-29
• [Presentation] 固体電解質原子スイッチに関する第一原理計算 (2009)
  • Author(s): TK.Gu
  • Organizer: 日本金属学会2009年春期大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-28
• [Presentation] デンドリマー内の光アンテナ部位の第一原理シミュレーション (2009)
  • Author(s): 古賀史朗
  • Organizer: 日本物理学会第64回年次大会
  • Place of Presentation: 東京都
  • Year and Date: 2009-03-28
• [Presentation] Ab-Initio Study on the Electronic Conduction Paths in Solid Electrolyte Atomic Switches (2009)
  • Author(s): S. Watanabe
  • Organizer: ECI Nonstoichiometric Compounds
  • Place of Presentation: Jeju Island (Korea)
  • Year and Date: 2009-03-08
• [Presentation] Ab-Initio Study on the Electronic Conduction Paths in Solid Electrolyte Atomic Switches (2009)
  • Author(s): S. Watanabe, T. K. Gu, Z. C. Wang, T. Tada
  • Organizer: ECI Nonstoichiometric Compounds
  • Place of Presentation: Jeju Island(Korea)
• [Presentation] Viscosity of Metallic Glass Forming Liquids : Analyses by the Bond Strength-Coordination Number Fluctuation Model and the VFT Law (2008)
  • Author(s): Masahiro Ikeda
  • Organizer: The Second International Student Conference on Advanced Science and Technology
  • Place of Presentation: Beijing (China)
  • Year and Date: 2008-12-22
• [Presentation] アルカリ金属における原子拡散 : 非調和項の効果 (2008)
  • Author(s): 犬童貴樹
  • Organizer: 第114回日本物理学会九州支部例会
  • Place of Presentation: 福岡市
  • Year and Date: 2008-12-06
• [Presentation] イオン導電体の熱膨張とイオン拡散の活性化エネルギー (2008)
  • Author(s): 谷口祥
  • Organizer: 第114回日本物理学会九州支部例会
  • Place of Presentation: 福岡市
  • Year and Date: 2008-12-06
• [Presentation] AgI-AgPO3ガラスの交流イオン伝導 : 対数加成則による解析 (2008)
  • Author(s): Ndeugueu Jean Leopold
  • Organizer: 第114回日本物理学会九州支部例会
  • Place of Presentation: 福岡市
  • Year and Date: 2008-12-06
• [Presentation] 拡散力モデルによる物質の融点 (2008)
  • Author(s): 貞国治人
  • Organizer: 第114回日本物理学会九州支部例会
  • Place of Presentation: 福岡市
  • Year and Date: 2008-12-06
• [Presentation] 超イオン導電体の非線形光学定数に対するモデル (2008)
  • Author(s): 池田祥典
  • Organizer: 第114回日本物理学会九州支部例会
  • Place of Presentation: 福岡市
  • Year and Date: 2008-12-06
• [Presentation] 速度相関関数と拡散係数の解析的理論 : 非調和ポテンシャルの効果 (2008)
  • Author(s): 犬童貴樹
  • Organizer: 第34回固体イオニクス討論会
  • Place of Presentation: 東京都
  • Year and Date: 2008-12-04
• [Presentation] イオン導電体の非線形光学定数 (2008)
  • Author(s): 池田祥典
  • Organizer: 第34回固体イオニクス討論会
  • Place of Presentation: 東京都
  • Year and Date: 2008-12-04
• [Presentation] Relationship Between the Heat of Transport and the Activation Energy of Ion Conduction (2008)
  • Author(s): Sachi Taniguchi
  • Organizer: The 4th International Symposium on the New Frontiers of Thermal Studies of Materials
  • Place of Presentation: Yokohama (Japan)
  • Year and Date: 2008-12-02
• [Presentation] Evaluation of the Elastic Properties of Bulk Metallic Glasses (2008)
  • Author(s): Yuko Yokota
  • Organizer: The 4th International Symposium on the New Frontiers of Thermal Studies of Materials
  • Place of Presentation: Yokohama (Japan)
  • Year and Date: 2008-12-02
• [Presentation] A Model for the Anomalous Electronic Properties in Liquid Silver Chalcogenides : Implications from a Viscoelastic Theory (2008)
  • Author(s): Masaru Aniya
  • Organizer: The 4th International Symposium on the New Frontiers of Thermal Studies of Materials
  • Place of Presentation: Yokohama (Japan)
  • Year and Date: 2008-12-01
• [Presentation] Bond Strength-Coordination Number Fluctuation Model of the Melt and the VFT Equation (2008)
  • Author(s): Masahiro Ikeda
  • Organizer: The 4th International Symposium on the New Frontiers of Thermal Studies of Materials
  • Place of Presentation: Yokohama (Japan)
  • Year and Date: 2008-12-01
• [Presentation] A Comparison Between the Bond Strength-Coordination Number Fluctuation Model and the Random Walk Model of Viscosity (2008)
  • Author(s): Jean Leopold Ndeugueu
  • Organizer: The 4th International Symposium on the New Frontiers of Thermal Studies of Materials
  • Place of Presentation: Yokohama (Japan)
  • Year and Date: 2008-12-01
• [Presentation] First Principles Study on the Electronic Transport Properties of Ag2S and Cu2S Atomic Switches (2008)
  • Author(s): T.K. Gu
  • Organizer: Pacific Rim Meeting on Electrochemical and Solid-state Science (PRiME) 2008
  • Place of Presentation: Hawaii (USA).
  • Year and Date: 2008-10-14
• [Presentation] First-Principles Study of Molecular Reactions at Metal/Perovskite Oxide Interface (2008)
  • Author(s): F. Shimojo
  • Organizer: Pacific Rim Meeting on Electrochemical and Solid-state Science (PRiME) 2008
  • Place of Presentation: Hawaii (USA)
  • Year and Date: 2008-10-12
• [Presentation] 第一原理分子動力学法による液体B_2O_3の構造と拡散機構の圧力依存性 (2008)
  • Author(s): 大村訓史
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手市
  • Year and Date: 2008-09-23
• [Presentation] 第一原理分子動力学法による液体Se_0.5C_0.5混合系の分子間配向相関 (2008)
  • Author(s): 古賀章浩
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手市
  • Year and Date: 2008-09-23
• [Presentation] 超イオン導電体と融体の第一原理シミュレーション (2008)
  • Author(s): 下條冬樹
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手市
  • Year and Date: 2008-09-22
• [Presentation] 結合力・配位数揺らぎモデルとVFT方程式 (2008)
  • Author(s): 池田昌弘
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手市
  • Year and Date: 2008-09-20
• [Presentation] 超イオン導電ガラスの非線形光学定数2 (2008)
  • Author(s): 池田祥典
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手市
  • Year and Date: 2008-09-20
• [Presentation] 超イオン導電ガラスにおけるベキ関数型導電性のパラメータ間の相関II (2008)
  • Author(s): ドウーグ・ジャーン・レオポルト
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手市
  • Year and Date: 2008-09-20
• [Presentation] イオン導電体の熱膨張とイオン拡散の活性化エネルギー (2008)
  • Author(s): 谷口祥
  • Organizer: 日本物理学会2008年秋季大会
  • Place of Presentation: 岩手市
  • Year and Date: 2008-09-20
• [Presentation] Ab initio Molecular-Dynamics Study of Structural and Electronic Properties of Liquid B_2O_3 under Pressure (2008)
  • Author(s): S. Ohmura
  • Organizer: The 7th Liquid Matter Conference
  • Place of Presentation: Lund (Sweden)
  • Year and Date: 2008-06-27
• [Presentation] Ab initio Molecular-Dynamics Study of Structural and Electronic Properties of Liquid Chalcogen-Halogen Mixtures (2008)
  • Author(s): A. Koga
  • Organizer: The 7th Liquid Matter Conference
  • Place of Presentation: Lund (Sweden)
  • Year and Date: 2008-06-27
• [Presentation] 超イオン導電ガラスの非線形光学定数 (2008)
  • Author(s): 池田祥典
  • Organizer: 第12回超イオン導電体物性研究会
  • Place of Presentation: 山形市
  • Year and Date: 2008-06-27
• [Presentation] カルコゲナイドガラスにおける濃度揺らぎとフォトドーピング (2008)
  • Author(s): 安仁屋勝
  • Organizer: 第12回超イオン導電体物性研究会
  • Place of Presentation: 山形市
  • Year and Date: 2008-06-27
• [Presentation] イオン導電体の熱電効果 : 理論的モデルによる予測 (2008)
  • Author(s): 谷口祥
  • Organizer: 第12回超イオン導電体物性研究会
  • Place of Presentation: 山形市
  • Year and Date: 2008-06-26
• [Presentation] Bond Strength-Coordination Number Fluctuations and the Fragility of Some Ion Conducting Oxide and Chalcogenide Glass Forming Liquids (2008)
  • Author(s): Masaru Aniya
  • Organizer: 2nd International Conference on Functional Materials & Devices
  • Place of Presentation: Kuala Lumpur (Malaysia)
  • Year and Date: 2008-06-18
• [Presentation] Medium Range Order and the Fitting Parameters of the AC Conductivity of Superionic Glassess (2008)
  • Author(s): Jean Leopold Ndeugueu
  • Organizer: 11th Asian Conference on Solid State Ionics
  • Place of Presentation: Coimbatore (India)
  • Year and Date: 2008-06-11
• [Presentation] A Molecular Dynamics Study of the Pressure Dependence of the Structure and Ion Transport Properties in Ag_<1-X>Cu_Xi (2008)
  • Author(s): Shinya Hamakawa
  • Organizer: 11th Asian Conference on Solid State Ionics
  • Place of Presentation: Coimbatore (India)
  • Year and Date: 2008-06-11
• [Presentation] The Role of the Intermediate Range Structure in the Ion Dynamics of Superionic Glasses (2008)
  • Author(s): Masaru Aniya
  • Organizer: 11th Asian Conference on Solid State Ionics
  • Place of Presentation: Coimbatore (India)
  • Year and Date: 2008-06-10
• [Presentation] A Comparative Study of the Fragility in Ion Conducting Oxide Glasses (2008)
  • Author(s): Masahiro Ikeda
  • Organizer: 11th Asian Conference on Solid State Ionics
  • Place of Presentation: Coimbatore (India)
  • Year and Date: 2008-06-10
• [Presentation] Atomic Jump and Anharmonicity in an Analytical Model for the Velocity Autocorrelation Function (2008)
  • Author(s): Takaki Indoh
  • Organizer: 11th Asian Conference on Solid State Ionics
  • Place of Presentation: Coimbatore (India)
  • Year and Date: 2008-06-10
• [Presentation] First-Principles Study toward the Understanding of Switching Processes in Solid Electrolyte Atomic Switches (2008)
  • Author(s): S. Watanabe
  • Organizer: 2008 International Materials Research Conference
  • Place of Presentation: Chongqing (China)
  • Year and Date: 2008-06-09
• [Presentation] First-Principles Study of Molecular Reactions at Metal/Perovskite-Oxide Interface (2008)
  • Author(s): F. Shimojo
  • Organizer: Pacific Rim Meeting on Electrochemical and Solid-state Science(PRiME) 2008
  • Place of Presentation: Hawaii(USA)
• [Presentation] Ab initio non-equilibrium Green's function study on the growth of metallic bridge in mixed conductor atomic switch (2008)
  • Author(s): T.Tada
  • Organizer: 2008 American Physical Society March Meeting
  • Place of Presentation: New Orleans(U.S.A.)
• [Presentation] イオン導電体における輸送熱のモデル:実験との比較 (2008)
  • Author(s): 谷口祥
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 東大阪市
• [Presentation] 超イオン導電ガラスにおけるベキ関数型導電性のパラメータ間の相関 (2008)
  • Author(s): ドゥーグ・ジャーン・レオポルト
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 東大阪市
• [Presentation] 超イオン導電ガラスの非線形光学定数 (2008)
  • Author(s): 池田祥典
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 東大阪市
• [Presentation] 速度相関関数に対するモデル:非調和項の効果 (2008)
  • Author(s): 犬童貴樹
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 東大阪市
• [Presentation] 高圧下におけるバルク金属ガラスの弾性的性質の見積もり (2008)
  • Author(s): 横田裕子
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 東大阪市
• [Presentation] Cu-As-Se系の粘性と共同的運動領域 (2008)
  • Author(s): 池田昌弘
  • Organizer: 日本物理学会第63回年次大会
  • Place of Presentation: 東大阪市
• [Presentation] Absorption Mechanism of Proton on Perovskite Oxide surfaces (2007)
  • Author(s): F. Shimojo
  • Organizer: The 16th International Conference on Solid State Ionics(SSI-16)
  • Place of Presentation: Shanghai(China)
• [Presentation] A Hydrodynamic Model for the Collective Motion in Ag-Cu-Se (2007)
  • Author(s): M. Ikeda and M. Aniya
  • Organizer: The 16th International Conference on Solid State Ionics (SSI-16)
  • Place of Presentation: Shanghai (China)
• [Presentation] Ab initio Study on Interface and Electronic Structures of Atomic Switch Composed of Mixed Conductors (2007)
  • Author(s): T. Tada, Z. Wang, T. Gu, and S. Watanabe
  • Organizer: Materials Research Society 2007 Fall Meeting
  • Place of Presentation: Boston(U.S.A.)
• [Presentation] Electronic Transport in Atomic Switches of Ag-Ag_2S-Ag and Cu-Cu_2S-Cu (2007)
  • Author(s): T. K. Gu
  • Organizer: International Symposium on Frontiers in Computational Science of Nanoscale Transport
  • Place of Presentation: Tokyo (Japan)
• [Presentation] Migration of Ag Ions in Low-temperature Ag_2S from First-Principles (2007)
  • Author(s): Z. C. Wang
  • Organizer: The 6th UT2-COSM Graduate Student Workshop on Materials for a Sustainable Future
  • Place of Presentation: Toronto (Canada)
• [Presentation] Absorption Mechanism of Proton on Perovskite Oxide surfaces (2007)
  • Author(s): F. Shimojo
  • Organizer: The 16th International Conference on Solid State Ionics (SSI-16)
  • Place of Presentation: Shanghai (China)
• [Presentation] A Molecular Dynamics Study of the Pressure Dependence of the Structure and Ion Transport Properties in Ag_<1-x> Cu_xI (2007)
  • Author(s): S. Hamakawa
  • Organizer: The 16th International Conference on Solid State Ionics (SSI-16)
  • Place of Presentation: Shanghai (China)
• [Presentation] Ab initio Molecular-Dynamics Study of Structural and Electronic Properties of Liquid SrGeO_3 under Pressure (2007)
  • Author(s): T.Sugahara
  • Organizer: The 13th International Conference on Liquid and Amorphous Metals(LAM13)
  • Place of Presentation: Ekaterinburg(Russia)
• [Presentation] First-Principles Study on Electrical Properties of Atomic Switch Composed of Mixed Conductors (2007)
  • Author(s): S.Watanabe
  • Organizer: The 17th Iketani Conference: The Doyama Symposium
  • Place of Presentation: Tokyo(Japan)
• [Presentation] First-Principles Study on Atomic and Electronic Structures and Quantum Transport Properties of Solid Electrolyte Atomic Switch (2007)
  • Author(s): Z.C. Wang
  • Organizer: The 4th Conference of the Asian Consortium on Computational Materials Science
  • Place of Presentation: Seoul(Korea)
• [Presentation] First-principles investigation on atomic switches of Ag-Ag2S-Ag and Cu-Cu_2S-Cu (2007)
  • Author(s): T. K. Gu
  • Organizer: The 10th Asian Workshop on First-Principles Electronic Structure Calculations
  • Place of Presentation: Hiroshima(Japan)
• [Presentation] Ab initio non-equilibrium Green's function study on metal/mixed conductor interface of atomic switch (2007)
  • Author(s): T. Tada
  • Organizer: 9th International Conference on Atomically Controlled Surfaces, Interfaces and Nanostructures
  • Place of Presentation: Tokyo(Japan)
• [Presentation] Ab initio Study on Interface and Electronic Structures ofAtomic Switch Composed of Mixed Conductors (2007)
  • Author(s): T. Tada
  • Organizer: Materials Research Society 2007 Fall Meeting
  • Place of Presentation: Boston(U.S.A.)
• [Presentation] Large-scale First-Principles Molecular-Dynamics Simulations (2007)
  • Author(s): F.Shimojo
  • Organizer: The Eleventh International Conference on the Enhancement and Promotion of Computational Methods in Engineering and Science(EPMESC XI)
  • Place of Presentation: Kyoto(Japan)
• [Presentation] First Principles Study Toward the Understanding of Atomic Switches Through Ag_2S and Cu_2S (2007)
  • Author(s): T. K. Gu
  • Organizer: The 2nd International Conference on Physics of Solid State Ionics
  • Place of Presentation: Yokohama(Japan)
• [Presentation] A Model for the Temperature Dependence of the Viscosity in Cu-As-Se System (2007)
  • Author(s): M.Ikeda
  • Organizer: The 2nd International Conference on Physics of Solid State Ionics
  • Place of Presentation: Yokohama(Japan)
• [Presentation] Anharmonicity and Relaxation in an Analytical Model for the Velocity Autocorrelation Function (2007)
  • Author(s): T.Indoh
  • Organizer: The 2nd International Conference on Physics of Solid State Ionics
  • Place of Presentation: Yokohama(Japan)
• [Presentation] A study on the Correlation Between the Parameters of the Power Law Behavior of the AC Conductivity in Some Superionic Glasses (2007)
  • Author(s): J. L. Ndeugueu
  • Organizer: The 2nd International Conference on Physics of Solid State Ionics
  • Place of Presentation: Yokohama(Japan)
• [Presentation] A Model for the Heat of Transport in Ionic Conductors (2007)
  • Author(s): S.Taniguchi
  • Organizer: The 2nd International Conference on Physics of Solid State Ionics
  • Place of Presentation: Yokohama(Japan)
• [Presentation] First-Principles Study Toward the Understanding of Atomic Switch Using Ag_2S and Cu_2S (2007)
  • Author(s): Z. C. Wang
  • Organizer: 2007年電気化学会秋季大会
  • Place of Presentation: 東京
• [Presentation] SnP_2O_7中のプロトン伝導機構II:第一原理分子動力学シミュレーション (2007)
  • Author(s): 吉川哲也
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道
• [Presentation] イオン伝導体を用いた原子スイッチの界面構造・電子状態に関する第一原理計算 (2007)
  • Author(s): 多田朋史
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道
• [Presentation] 超イオン導電ガラス形成液体に対するモデル:粘性の観点から (2007)
  • Author(s): 安仁屋勝
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道
• [Presentation] イオン導電体における輸送熱のモデルII (2007)
  • Author(s): 谷口祥
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道
• [Presentation] Cu-As-SeやGe-Sb-S(Te)系の粘性の温度依存性 (2007)
  • Author(s): 内田敦子
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道
• [Presentation] Ag-Cu-Se系における集団運動 (2007)
  • Author(s): 池田昌弘
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道
• [Presentation] イオン拡散に対するモデル:解析的速度自己相関関数からのアプローチ (2007)
  • Author(s): 犬童貴樹
  • Organizer: 日本物理学会第62回年次大会
  • Place of Presentation: 北海道
• [Presentation] InドープSnP2O7中のプロトンの安定位置と拡散経路 (2007)
  • Author(s): 吉川哲也
  • Organizer: 第33回固体イオニクス討論会
  • Place of Presentation: 名古屋市
• [Presentation] Nonequilibrium Quantum Transport Properties in atomic switches of Ag-Ag_2S-Ag and Cu-Cu_2S-Cu (2007)
  • Author(s): 谷廷坤
  • Organizer: 第33回固体イオニクス討論会
  • Place of Presentation: 名古屋市
• [Presentation] イオン導電体における輸送熱のモデル (2007)
  • Author(s): 谷口祥
  • Organizer: 第33回固体イオニクス討論会
  • Place of Presentation: 名古屋市
• [Presentation] Cu-As-Se系の粘性の温度依存性に対するモデル (2007)
  • Author(s): 池田昌弘
  • Organizer: 第33回固体イオニクス討論会
  • Place of Presentation: 名古屋市
• [Presentation] "Theoretical Analyses on Property Measurements Using Scanning Probe Microscopes"(invited) (2006)
  • Author(s): S. Watanabe
  • Organizer: The 10th ISSP International Symposium on Nanoscience at Surfaces(ISSP-10)
  • Place of Presentation: Kashiwa (Japan)
• [Book] ナノイオニクス-最新技術とその展望- (2008)
  • Author(s): 下條冬樹,渡邉聡
  • Publisher: シーエムシー出版
• [Book] 「ナノイオニクス-最新技術とその展望-」(監修:山口周)分担執筆 (2008)
  • Author(s): 下條冬樹
  • Total Pages: 308
  • Publisher: シーエムシー出版
• [Book] Physics of Solid State Ionics (2006)
  • Author(s): F. Shimojo
  • Publisher: Research Signpost
• [Book] Physics of Solid State Ionics (2006)
  • Author(s): M. Aniya
  • Publisher: Research Signpost
• [Book] Physics of Solid State Ionics(分担執筆) (2006)
  • Author(s): F.Shimojo
  • Total Pages: 346
  • Publisher: Research Signpost