Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations
Cheng Da Wu, Te Hua Fang, Jen Fin Lin
The nanotribology of an alkanethiol self-assembled monolayer (SAM) under tilt contact with a scanning probe tip is studied using molecular dynamics (MD) simulations. The tilt contact is described in terms of the tilt angle and the magnitude of the specimen-tip separation. The effects of tilt angle and magnitude of the specimen-tip separation on the normal force, friction force, friction coefficient, shear strength of the tip-SAM junction, and self-recovery characteristics are evaluated during the scanning probe tip process at a temperature of 300. K. The simulation results clearly show that the magnitudes and periods of the normal force and friction force increase with decreasing magnitude of the specimen-tip separation due to a large change of the tilt angle of the SAM chains during the deformation and recovery stages. For scanning and indentation processes, the effect of the tilt angle of the probe tip on the normal force is more significant than that on the friction force for the SAM. The behaviors of interfacial contact forces, friction coefficient, and shear strength strongly depend on the number of interacting atoms and the contact area, which increases with decreasing magnitude of the specimen-tip separation and increasing tilt angle of the probe tip. The self-recovery of SAM is significantly affected by the magnitude of the specimen-tip separation; the recovery ability of SAM is worse for magnitude of the specimen-tip separation below -0.9. nm with a large tilt angle of the probe tip.
https://doi.org/10.1016/j.micron.2012.09.007
10.1016/j.micron.2012.09.007
Dive into the research topics of 'Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations'. Together they form a unique fingerprint.
Nanotribology Engineering & Materials Science 100%
Self assembled monolayers Engineering & Materials Science 85%
Friction Medicine & Life Sciences 67%
Molecular dynamics Engineering & Materials Science 61%
Molecular Dynamics Simulation Medicine & Life Sciences 61%
Self Assembled Monolayer Chemical Compounds 52%
Molecular Dynamics Chemical Compounds 40%
molecular dynamics Physics & Astronomy 39%
Wu, C. D., Fang, T. H., & Lin, J. F. (2013). Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations. Micron, 44(1), 410-418. https://doi.org/10.1016/j.micron.2012.09.007
Wu, Cheng Da ; Fang, Te Hua ; Lin, Jen Fin. / Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations. In: Micron. 2013 ; Vol. 44, No. 1. pp. 410-418.
@article{7dea98e296d94e18b3188093c385ea2b,
title = "Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations",
abstract = "The nanotribology of an alkanethiol self-assembled monolayer (SAM) under tilt contact with a scanning probe tip is studied using molecular dynamics (MD) simulations. The tilt contact is described in terms of the tilt angle and the magnitude of the specimen-tip separation. The effects of tilt angle and magnitude of the specimen-tip separation on the normal force, friction force, friction coefficient, shear strength of the tip-SAM junction, and self-recovery characteristics are evaluated during the scanning probe tip process at a temperature of 300. K. The simulation results clearly show that the magnitudes and periods of the normal force and friction force increase with decreasing magnitude of the specimen-tip separation due to a large change of the tilt angle of the SAM chains during the deformation and recovery stages. For scanning and indentation processes, the effect of the tilt angle of the probe tip on the normal force is more significant than that on the friction force for the SAM. The behaviors of interfacial contact forces, friction coefficient, and shear strength strongly depend on the number of interacting atoms and the contact area, which increases with decreasing magnitude of the specimen-tip separation and increasing tilt angle of the probe tip. The self-recovery of SAM is significantly affected by the magnitude of the specimen-tip separation; the recovery ability of SAM is worse for magnitude of the specimen-tip separation below -0.9. nm with a large tilt angle of the probe tip.",
author = "Wu, {Cheng Da} and Fang, {Te Hua} and Lin, {Jen Fin}",
note = "Funding Information: This work was supported by the National Science Council of Taiwan under grants NSC-100-2628-E-151-003-MY3 and NSC-100-2221-E-151-018-MY3 . Copyright: Copyright 2013 Elsevier B.V., All rights reserved.",
doi = "10.1016/j.micron.2012.09.007",
journal = "Micron and Microscopica Acta",
Wu, CD, Fang, TH & Lin, JF 2013, 'Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations', Micron, vol. 44, no. 1, pp. 410-418. https://doi.org/10.1016/j.micron.2012.09.007
Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations. / Wu, Cheng Da; Fang, Te Hua; Lin, Jen Fin.
In: Micron, Vol. 44, No. 1, 01.2013, p. 410-418.
T1 - Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations
AU - Wu, Cheng Da
AU - Fang, Te Hua
AU - Lin, Jen Fin
N1 - Funding Information: This work was supported by the National Science Council of Taiwan under grants NSC-100-2628-E-151-003-MY3 and NSC-100-2221-E-151-018-MY3 . Copyright: Copyright 2013 Elsevier B.V., All rights reserved.
N2 - The nanotribology of an alkanethiol self-assembled monolayer (SAM) under tilt contact with a scanning probe tip is studied using molecular dynamics (MD) simulations. The tilt contact is described in terms of the tilt angle and the magnitude of the specimen-tip separation. The effects of tilt angle and magnitude of the specimen-tip separation on the normal force, friction force, friction coefficient, shear strength of the tip-SAM junction, and self-recovery characteristics are evaluated during the scanning probe tip process at a temperature of 300. K. The simulation results clearly show that the magnitudes and periods of the normal force and friction force increase with decreasing magnitude of the specimen-tip separation due to a large change of the tilt angle of the SAM chains during the deformation and recovery stages. For scanning and indentation processes, the effect of the tilt angle of the probe tip on the normal force is more significant than that on the friction force for the SAM. The behaviors of interfacial contact forces, friction coefficient, and shear strength strongly depend on the number of interacting atoms and the contact area, which increases with decreasing magnitude of the specimen-tip separation and increasing tilt angle of the probe tip. The self-recovery of SAM is significantly affected by the magnitude of the specimen-tip separation; the recovery ability of SAM is worse for magnitude of the specimen-tip separation below -0.9. nm with a large tilt angle of the probe tip.
AB - The nanotribology of an alkanethiol self-assembled monolayer (SAM) under tilt contact with a scanning probe tip is studied using molecular dynamics (MD) simulations. The tilt contact is described in terms of the tilt angle and the magnitude of the specimen-tip separation. The effects of tilt angle and magnitude of the specimen-tip separation on the normal force, friction force, friction coefficient, shear strength of the tip-SAM junction, and self-recovery characteristics are evaluated during the scanning probe tip process at a temperature of 300. K. The simulation results clearly show that the magnitudes and periods of the normal force and friction force increase with decreasing magnitude of the specimen-tip separation due to a large change of the tilt angle of the SAM chains during the deformation and recovery stages. For scanning and indentation processes, the effect of the tilt angle of the probe tip on the normal force is more significant than that on the friction force for the SAM. The behaviors of interfacial contact forces, friction coefficient, and shear strength strongly depend on the number of interacting atoms and the contact area, which increases with decreasing magnitude of the specimen-tip separation and increasing tilt angle of the probe tip. The self-recovery of SAM is significantly affected by the magnitude of the specimen-tip separation; the recovery ability of SAM is worse for magnitude of the specimen-tip separation below -0.9. nm with a large tilt angle of the probe tip.
U2 - 10.1016/j.micron.2012.09.007
DO - 10.1016/j.micron.2012.09.007
JO - Micron and Microscopica Acta
JF - Micron and Microscopica Acta
Wu CD, Fang TH, Lin JF. Nanotribology of self-assembled monolayer with a probe tip investigated using molecular dynamics simulations. Micron. 2013 Jan;44(1):410-418. doi: 10.1016/j.micron.2012.09.007