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Tribological Behavior of Polymers Simulated by Molecular Dynamics

Published online by Cambridge University Press:  03 March 2011

Witold Brostow ,
J. Adam Hinze  and
Ricardo Simões
Witold Brostow*
Affiliation:
Laboratory of Advanced Polymers and Optimized Materials (LAPOM), Department of Materials Science & Engineering, University of North Texas, Denton, Texas 76203-5310
J. Adam Hinze
Affiliation:
Laboratory of Advanced Polymers and Optimized Materials (LAPOM), Department of Materials Science & Engineering, University of North Texas, Denton, Texas 76203-5310
Ricardo Simões
Affiliation:
Laboratory of Advanced Polymers and Optimized Materials (LAPOM), Department of Materials Science & Engineering, University of North Texas, Denton, Texas 76203-5310
*
a)Address all correspondence to this author. e-mail: brostow@unt.edu
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Abstract

Using molecular dynamics to simulate behavior of polymer surfaces during scratch testing, we report the first results of computer simulations of scratch behavior of noncrystals. A previously described procedure for creating realistic polymeric materials on the computer [W. Brostow, A.M. Cunha, and R. Simoes, Mater. Res. Innovat. 7, 19 (2003)] and used until now to simulate mechanical behavior of metals [S. Blonski, W. Brostow, and J. Kubat, Phys. Rev. B 49, 6494 (1994)] and one- and two-phase polymers [W. Brostow, A.M. Cunha, J. Quintanilla, and R. Simoes, Macromol. Theory Simul. 11, 308 (2002); W. Brostow, A.M. Cunha, and R. Simoes, Proc. Ann. Tech. Conf. Soc. Plastics Engrs. 60, 3105 (2002)] was applied. While experiments provide only the macroscopic penetration depth and the recovery (healing) depth, the simulations give the behavior of each macromolecular chain segment at each moment in time. We report results for one-phase polymers and also for systems with varying concentrations of a liquid crystalline (LC) second-phase that acts as a reinforcement. We relate the local structure to scratch resistance and recovery. The orientation of the chemical bonds is a major factor. The presence of a LC phase improves the tribological properties; however, the effect is not as significant as might have been expected.

Keywords

PolymerComputer simulationTribology

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Type
Articles
Information
Journal of Materials Research , Volume 19 , Issue 3 , March 2004 , pp. 851 - 856
Copyright
Copyright © Materials Research Society 2004

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References

REFERENCES

1Rabinowicz, E.Friction and Wear of Materials, 2nd ed. (Wiley, New York, 1995).Google Scholar
2Matériaux et contacts: une approche tribologique, edited by Zambelli, G. and Vincent, L. (Presses polytechniques universitaires romandes, Lausanne, 1998).Google Scholar
3Goldman, A.Y.Prediction of Deformation Properties of Polymeric and Composite Materials (American Chemical Society, Washington, DC, 1994).Google Scholar
4Brostow, W., Damarla, G., Howe, J.A. and Pietkiewicz, D. (unpublished).Google Scholar
5Failure of Plastics, edited by Brostow, W. and Corneliussen, R.D. (Hanser, Munich—Vienna—New York, 1986).Google Scholar
6Performance of Plastics, edited by Brostow, W. (Hanser, Munich—Cincinnati, 2000).Google Scholar
7Brostow, W., Bujard, B., Cassidy, P.E., Hagg, H.E. and Montemartini, P.E., Mater. Res. Innovat. 6 7 (2002).CrossRefGoogle Scholar
8Brostow, W., Bujard, B., Cassidy, P.E. and Venumbaka, S.Int. J. Polym. Mater. (2003, in press).Google Scholar
9Blonski, S., Brostow, W. and Kubat, J., Phys. Rev. B 49 6494 (1994).CrossRefGoogle Scholar
10Brostow, W., Cunha, A.M., Quintanilla, J. and Simoes, R., Macromol. Theory Simul. 11 308 (2002).3.0.CO;2-Z>CrossRefGoogle Scholar
11Brostow, W., Cunha, A.M. and Simoes, R., Proc. Ann. Tech. Conf. Soc. Plastics Engrs. 60 3105 (2002).Google Scholar
12Fossey, S. in Performance of Plastics, edited by W.Brostow (Hanser, Munich—Cincinnati, 2000), p. 63.Google Scholar
13Termonia, Y., Macromolecules 27 7378 (1994).CrossRefGoogle Scholar
14Tupper, K.J. and Brenner, D.W., Thin Solid Films 253 185 (1994).CrossRefGoogle Scholar
15Koike, A. and Yoneya, M., J. Chem. Phys. 105 6060 (1996).CrossRefGoogle Scholar
16Gerde, E. and Marder, M., Nature 413 285 (2001).CrossRefGoogle Scholar
17Komanduri, R., Chandrasekaran, N. and Raff, L.M., Wear 240 113 (2000).CrossRefGoogle Scholar
18Alder, B.J. and Wainwright, T.E., J. Chem. Phys. 27 1208 (1957).CrossRefGoogle Scholar
19Brostow, W.Donahue, M. IIIKarashin, C.E. and Simoes, R.Mater. Res. Innovat. 4 75 (2001).CrossRefGoogle Scholar
20Cook, R. and Mercer, M.B., Mater. Chem. Phys. 12 571 (1985).CrossRefGoogle Scholar
21Cook, R., J. Polymer Sci. 26 1988 (1988).Google Scholar
22Blonski, S. and Brostow, W., J. Chem. Phys. 95 2890 (1991).CrossRefGoogle Scholar
23Mom, V., J. Comput. Chem. 2 446 (1981).CrossRefGoogle Scholar
24Flory, P.J.Statistical Mechanics of Chain Molecules (Wiley-Interscience, New York, 1969).CrossRefGoogle Scholar
25Brostow, W., Cunha, A.M. and Simoes, R., Mater. Res. Innovat. 7 19 (2003).CrossRefGoogle Scholar
26Brostow, W., Dziemianowicz, T.S., Romanski, J. and Werber, W., Polymer Eng. Sci. 28 785 (1998).CrossRefGoogle Scholar
27Goldman, A.Y. in Performance of Plastics, edited by Brostow, W. (Hanser, Munich—Cincinnati, 2000), Chapter 7.Google Scholar
28Goldman, A.Y. and Venkatashan, K., Proc Ann Tech Conf Soc Plastics Engrs. 60 1363 (2002).Google Scholar
29Brostow, W., Dziemianowicz, T.S., Romanski, R. and Werber, W., Polymer Eng. Sci. 28 785 (1988).CrossRefGoogle Scholar
30Hess, M. in Performance of Plastics, edited by Brostow, W. (Hanser, Munich—Cincinnati, 2000), p. 519.Google Scholar
31Good, R.J. in Contact Angle, Wettability and Adhesion, edited by Mittal, K.L. (VSP, New York, 1993), Chapter 1.Google Scholar
32Brostow, W., Cassidy, P.E., Macossay, J., Pietkiewicz, D. and Venumbaka, S., Polymer Int. 52 1498 (2003).CrossRefGoogle Scholar