TY - GEN
T1 - Computational chemistry study on tribochemistry of additive-based solid lubrication
AU - Onodera, Tasuku
AU - Kuriaki, Takanori
AU - Morita, Yusuke
AU - Suzuki, Ai
AU - Koyama, Michihisa
AU - Tsuboi, Hideyuki
AU - Hatakeyama, Nozomu
AU - Endou, Akira
AU - Takaba, Hiromitsu
AU - Del Carpio, Carlos A.
AU - Minfray, Clotilde
AU - Kubo, Momoji
AU - Martin, Jean Michel
AU - Miyamoto, Akira
PY - 2009
Y1 - 2009
N2 - The lubrication mechanism of the zinc phosphate film derived from ZDDP was studied using genuine computational chemistry methods, i.e., NEW RYUDO code, a hybrid quantum chemical/classical molecular dynamics simulation, and a vibrational spectrum simulator. Using the NEW-RYUDO program, the dynamic behavior of the wear particle was observed. The deformation of Fe2O wear particle during simulation along the friction direction was observed at the simulation time of 250 psec. Several Fe atoms in the wear particle migrated into the phosphate matrix at 500 ps. The phosphate matrix digested the FeO wear particle due to their interfacial chemical reaction. The anti-wear mechanism of ZDDP-derived film was based on the digestion of wear particles due to wear during the friction process. This is an abstract of a paper presented at the Proceedings of World Tribology Conference (Kyoto, Japan 9/6-11/2009).
AB - The lubrication mechanism of the zinc phosphate film derived from ZDDP was studied using genuine computational chemistry methods, i.e., NEW RYUDO code, a hybrid quantum chemical/classical molecular dynamics simulation, and a vibrational spectrum simulator. Using the NEW-RYUDO program, the dynamic behavior of the wear particle was observed. The deformation of Fe2O wear particle during simulation along the friction direction was observed at the simulation time of 250 psec. Several Fe atoms in the wear particle migrated into the phosphate matrix at 500 ps. The phosphate matrix digested the FeO wear particle due to their interfacial chemical reaction. The anti-wear mechanism of ZDDP-derived film was based on the digestion of wear particles due to wear during the friction process. This is an abstract of a paper presented at the Proceedings of World Tribology Conference (Kyoto, Japan 9/6-11/2009).
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M3 - Conference contribution
AN - SCOPUS:77952608064
SN - 9784990013998
SP - 756
BT - World Tribology Congress 2009 - Proceedings
T2 - World Tribology Congress 2009
Y2 - 6 September 2009 through 11 September 2009
ER -