TY - JOUR
T1 - Computational chemistry study on the dynamics of lubricant molecules under shear conditions
AU - Kamei, D.
AU - Zhou, H.
AU - Suzuki, K.
AU - Konno, K.
AU - Takami, S.
AU - Kubo, M.
AU - Miyamoto, A.
PY - 2003/4
Y1 - 2003/4
N2 - Molecular dynamics simulations were performed to investigate the dynamic behavior of three kinds of perfluoropolyether molecules under constant shear and pressure conditions. Lubricational properties of these lubricants confined between two solid surfaces were calculated under different temperatures. The layered structures were observed for all lubricant. However lubricational properties of these lubricants were different. These differences can be explained by bridging structures between layers, because the bridging structures were one of the factors that controls lubricational properties due to their resistance in shear conditions. We investigated the influence of flexibility in lubricant molecules. As a result, we found that flexible molecules show stable lubricational properties under a wide range of temperatures.
AB - Molecular dynamics simulations were performed to investigate the dynamic behavior of three kinds of perfluoropolyether molecules under constant shear and pressure conditions. Lubricational properties of these lubricants confined between two solid surfaces were calculated under different temperatures. The layered structures were observed for all lubricant. However lubricational properties of these lubricants were different. These differences can be explained by bridging structures between layers, because the bridging structures were one of the factors that controls lubricational properties due to their resistance in shear conditions. We investigated the influence of flexibility in lubricant molecules. As a result, we found that flexible molecules show stable lubricational properties under a wide range of temperatures.
KW - Computational chemistry
KW - Dynamics of lubricant molecules
KW - Shear condition
UR - http://www.scopus.com/inward/record.url?scp=0037374692&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0037374692&partnerID=8YFLogxK
U2 - 10.1016/S0301-679X(02)00201-3
DO - 10.1016/S0301-679X(02)00201-3
M3 - Conference article
AN - SCOPUS:0037374692
SN - 0301-679X
VL - 36
SP - 297
EP - 303
JO - Tribology International
JF - Tribology International
IS - 4-6
T2 - Tribology of Information Storage Devices 2001
Y2 - 1 December 2001 through 1 December 2001
ER -