Tribochemical reaction dynamics of molybdenum dithiocarbamate on nascent Iron surface: A hybrid quantum Chemical/Classical molecular dynamics study

Journal of Nanoscience and Nanotechnology

Volumn 10, Issue 4, 2010, Pages 2495-2502

  Onodera, Tasuku ^a   Morita, Yusuke ^a   Suzuki, Ai ^a   Sahnoun, Riadh ^a   Koyama, Michihisa ^a   Tsuboi, Hideyuki ^a   Hatakeyama, Nozomu ^a   Endou, Akira ^a   Takaba, Hiromitsu ^a   Del Carpio, Carlos A ^a   Deka, Ramesh C ^b   Kubo, Momoji ^a   Miyamoto, Akira ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b TEZPUR UNIVERSITY   (India)

Author keywords

Hybrid quantum chemical classical molecular dynamics; Molybdenum dithiocarbamate; Nascent iron surface; Tribochemical reaction

Indexed keywords

ACID MOLECULES; BOND DISSOCIATION; BOND ELONGATION; CATALYTIC EFFECTS; DYNAMIC BEHAVIORS; FRICTION MODIFIER; FRICTION SIMULATION; IRON SURFACE; MOLECULAR DYNAMICS METHODS; MOLYBDENUM DITHIOCARBAMATE; TRIBOCHEMICAL REACTION;

ELECTRONIC STATES; FRICTION; LUBRICANTS; MOLECULAR DYNAMICS; MOLECULES; MOLYBDENUM; REACTION KINETICS; SURFACE PROPERTIES; TRIBOLOGY;

SURFACE REACTIONS;

EID: 77949894353     PISSN: 15334880     EISSN: None     Source Type: Journal    
DOI: 10.1166/jnn.2010.1399     Document Type: Conference Paper

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