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Computational Nanotribology: SAMs for MEMS

Published online by Cambridge University Press:  17 March 2011

Rajiv J. Berry,
Nicole L. Wintrich,
Rishikesh K. Bharadwaj and
Martin Schwartz
Rajiv J. Berry
Affiliation:
Materials Directorate, Air Force Research Laboratory, Wright-Patterson AFB OH 45433
Nicole L. Wintrich
Affiliation:
Materials Directorate, Air Force Research Laboratory, Wright-Patterson AFB OH 45433
Rishikesh K. Bharadwaj
Affiliation:
Materials Directorate, Air Force Research Laboratory, Wright-Patterson AFB OH 45433
Martin Schwartz
Affiliation:
Materials Directorate, Air Force Research Laboratory, Wright-Patterson AFB OH 45433Department of Chemistry, University of North Texas, Denton TX 76203
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Abstract

Self-assembled monolayers (SAMs) consisting of hydrocarbon chains attached to silica walls were evaluated computationally for their high temperature stability, life cycle and performance in microelectromechanical systems (MEMS). Ab initio calculations at sufficiently high level of theory were conducted on model compounds to predict the bond strengths holding the monolayer tethered to the MEMS device and relate them to its thermal stability. Non-equilibrium molecular dynamics (NEMD) simulations under sliding periodic boundary conditions were employed to compute the frictional force as a function of applied load. The NEMD trajectories were analyzed for the structure and chain dynamics of the SAMs and compared with NEMD and equilibrium MD results for the fluid. The significance of monolayer penetration depth, monolayer gauche fraction, wall thermostat characteristics and the size of the simulation box on the computed results were investigated.

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References

REFERENCES

1. Srinivasan, U., Foster, J. D., Habib, U., Howe, R. T., Maboudian, R., Senft, D. C., and Dugger, M. T., Lubrication of polysilicon micromechanisms with self-assembled monolayers, Solid-State Sensor and Actuator Workshop, (Transducer Res. Found, Cleveland, 1998) pp.156–161.Google Scholar
2. Bliznyuk, V. N., Everson, M. P., and Tsukruk, V. V., Journal of Tribology, 120, 489 (1998).Google Scholar
3. Khare, R., Pablo, J. de, and Yethiraj, A., J. Chem. Phys., 107, 2589 (1997).Google Scholar
4. Sun, H. and Rigby, D., Spectrochimica Acta, A153, 1301 (1997).Google Scholar
5. Rigby, D., Sun, H., and Eichinger, B. E., Polymer International, 44, 311 (1997).Google Scholar
6. Allen, M. P. and Tildesley, D. J., Computer Simulation of Liquids, (Clarendon Press, New York, 1989).Google Scholar
7. Banks, R. E., Fluorocarbons and their Derivatives, (Macdonald & Co. Pubs., 1970), pp.119.Google Scholar
8. Tutein, A. B., Stuart, S. J., and Harrison, J. A., Langmuir, 16, 291 (2000).Google Scholar
9. Schwartz, M. and Berry, R. J., J. Mol. Struct. Theochem., (in press).Google Scholar
10. Waltman, R. J., Tyndall, G. W., Pacansky, J., and Berry, R. J., Tribol. Lett., 7, 91 (1999).Google Scholar