Development of a quantum chemical molecular dynamics tribochemical simulator and its application to tribochemical reaction dynamics of lubricant additives

Modelling and Simulation in Materials Science and Engineering

Volumn 18, Issue 3, 2010, Pages

  Onodera, T ^a   Miura, R ^a   Suzuki, A ^a   Tsuboi, H ^a   Hatakeyama, N ^a   Endou, A ^a   Takaba, H ^a   Kubo, M ^a   Miyamoto, A ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL REACTION DYNAMICS; CLASSICAL MOLECULAR DYNAMICS; COMPLEX SYSTEMS; COMPUTATION COSTS; FIRST-PRINCIPLES; LUBRICANT ADDITIVES; MOLECULAR LEVELS; QUANTUM CHEMICAL; QUANTUM CHEMICAL MOLECULAR DYNAMICS; SOLID SURFACE; TIGHT BINDING; TRIBOCHEMICAL REACTION;

DYNAMICS; MOLECULAR DYNAMICS; NEWTONIAN FLOW; SIMULATORS; SOLID LUBRICANTS; TRIBOLOGY;

REACTION KINETICS;

EID: 77949886396     PISSN: 09650393     EISSN: 1361651X     Source Type: Journal    
DOI: 10.1088/0965-0393/18/3/034009     Document Type: Article

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