Development of tribology simulator based on quantum chemical molecular dynamics and its application to tribochemical reaction dynamics

被引:0
|
作者
Onodera, Tasuku
机构
[1] Tohoku Univ, Grad Sch Engn, Aoba Ku, Sendai, Miyagi 9808579, Japan
[2] Tohoku Univ, Grad Sch Engn, Dept Appl Chem, Aoba Ku, Sendai, Miyagi 9808579, Japan
[3] Tohoku Univ, Grad Sch Engn, New Ind Creat Hatchery Ctr, Aoba Ku, Sendai, Miyagi 9808579, Japan
关键词
tribochemical reaction dynamics; SCF-tight-binding quantum chemical molecular dynamics method; tribology simulator; nano-tribology; hybrid quantum/classical molecular dynamics method;
D O I
暂无
中图分类号
TH [机械、仪表工业];
学科分类号
0802 ;
摘要
引用
收藏
页码:488 / 494
页数:7
相关论文
共 50 条
  • [1] Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives
    Onodera, T.
    Miura, R.
    Suzuki, A.
    Tsuboi, H.
    Hatakeyama, N.
    Endou, A.
    Takaba, H.
    Kubo, M.
    Miyamoto, A.
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2010, 18 (03)
  • [2] Development of large-scale quantum chemical molecular dynamics simulator and its application to PDP materials
    Endou, A.
    Serizawa, K.
    Ogiya, K.
    Onuma, H.
    Onodera, T.
    Lv, C.
    Kikuchi, H.
    Suzuki, A.
    Tsuboi, H.
    Koyama, M.
    Hatakeyama, N.
    Takaba, H.
    Kubo, M.
    Del Carpio, C. A.
    Kajiyama, H.
    Shinoda, T.
    Miyamoto, A.
    IDW '07: PROCEEDINGS OF THE 14TH INTERNATIONAL DISPLAY WORKSHOPS, VOLS 1-3, 2007, : 177 - +
  • [3] Development of a new molecular dynamics method for tribochemical reaction and its application to formation dynamics of MoS2 tribofilm
    Morita, Yusuke
    Onodera, Tasuku
    Suzuki, Ai
    Sahnoun, Riadh
    Koyama, Michihisa
    Tsuboi, Hideyuki
    Hatakeyama, Nozomu
    Endou, Akira
    Takaba, Hiromitsu
    Kubo, Momoji
    Del Carpio, Carlos A.
    Shin-yoshi, Takatoshi
    Nishino, Noriaki
    Suzuki, Atsushi
    Miyamoto, Akira
    APPLIED SURFACE SCIENCE, 2008, 254 (23) : 7618 - 7621
  • [4] Tribochemical Reaction Dynamics of Molybdenum Dithiocarbamate on Nascent Iron Surface: A Hybrid Quantum Chemical/Classical Molecular Dynamics Study
    Onodera, Tasuku
    Morita, Yusuke
    Suzuki, Ai
    Sahnoun, Riadh
    Koyama, Michihisa
    Tsuboi, Hideyuki
    Hatakeyama, Nozomu
    Endou, Akira
    Takaba, Hiromitsu
    Del Carpio, Carlos A.
    Deka, Ramesh C.
    Kubo, Momoji
    Miyamoto, Akira
    JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2010, 10 (04) : 2495 - 2502
  • [5] Quantum chemical molecular dynamics approach to tribochemical reactions in lubrication processes
    Miyamoto, Akira
    Miura, Ryuji
    Suzuki, Ai
    Hatakeyama, Nozomu
    Toraibarojisuto/Journal of Japanese Society of Tribologists, 2013, 58 (09): : 610 - 615
  • [6] Tribochemical Reaction Dynamics Simulation of Hydrogen on a Diamond-like Carbon Surface Based on Tight-Binding Quantum Chemical Molecular Dynamics
    Hayashi, Kentaro
    Tezuka, Kotoe
    Ozawa, Nobuki
    Shimazaki, Tomomi
    Adachi, Koshi
    Kubo, Momoji
    JOURNAL OF PHYSICAL CHEMISTRY C, 2011, 115 (46): : 22981 - 22986
  • [7] Development of Crystal Growth Simulator Based on Tight-Binding Quantum Chemical Molecular Dynamics Method and Its Application to Silicon Chemical Vapor Deposition Processes
    Kuwahara, Takuya
    Ito, Hiroshi
    Higuchi, Yuji
    Ozawa, Nobuki
    Kubo, Momoji
    JOURNAL OF PHYSICAL CHEMISTRY C, 2012, 116 (23): : 12525 - 12531
  • [8] Quantum control of molecular reaction dynamics by laser pulses: Development of theory and its application
    Ohtsuki, Y
    Sugawara, M
    Kono, H
    Fujimura, Y
    BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 2001, 74 (07) : 1167 - 1191
  • [9] Tribochemical reaction dynamics of phosphoric ester lubricant additive by using a hybrid tight-binding quantum chemical molecular dynamics method
    Koyama, Michihisa
    Hayakawa, Jun
    Onodera, Tasuku
    Ito, Kosuke
    Tsuboi, Hideyuki
    Endou, Akira
    Kubo, Momoji
    Del Carpio, Carlos A.
    Miyamoto, Akira
    JOURNAL OF PHYSICAL CHEMISTRY B, 2006, 110 (35): : 17507 - 17511
  • [10] Simulation of Chemical Isomerization Reaction Dynamics on a NMR Quantum Simulator
    Lu, Dawei
    Xu, Nanyang
    Xu, Ruixue
    Chen, Hongwei
    Gong, Jiangbin
    Peng, Xinhua
    Du, Jiangfeng
    PHYSICAL REVIEW LETTERS, 2011, 107 (01)