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Erschienen in: Tribology Letters 2/2014

01.05.2014 | Original Paper

Stability and Structure of Nanometer-Thin Perfluoropolyether Films Using Molecular Simulations

verfasst von: Taeil Yi, Uma Shantini Ramasamy, Seth Lichter, Ashlie Martini

Erschienen in: Tribology Letters | Ausgabe 2/2014

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Abstract

Methods to determine the stability of thin films are needed to ensure that lubricating layers maintain their integrity and so can reliably protect and lubricate moving interfaces. Here, we compare two models of perfluoropolyether and various methods of calculating disjoining pressure as a means of characterizing stability using molecular dynamics simulation. As has been shown previously, we find that energy methods, based on the variation of film--substrate interaction energy with film thickness, provide a good estimate of disjoining pressure. Further, we find that more rapid computational methods based on the density in the film, though they may yield a poorer estimate of the magnitude of the disjoining pressure, yield correct predictions for thin film stability.

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Literatur
1.
Zurück zum Zitat Bhushan, B., Goldade, A.V.: Kelvin probe microscopy measurements of surface potential change under wear at low loads. Wear 244, 104–117 (2000)CrossRef Bhushan, B., Goldade, A.V.: Kelvin probe microscopy measurements of surface potential change under wear at low loads. Wear 244, 104–117 (2000)CrossRef
2.
Zurück zum Zitat Guo, J.-G., Zhou, L.-J., Zhao, Y.-P.: Instability analysis of torsional mems/nems actuators under capillary force. J. Colloid Interface Sci. 331(2), 458–462 (2009)CrossRef Guo, J.-G., Zhou, L.-J., Zhao, Y.-P.: Instability analysis of torsional mems/nems actuators under capillary force. J. Colloid Interface Sci. 331(2), 458–462 (2009)CrossRef
3.
Zurück zum Zitat Guo, X.C., Marchon, B., Wang, R.H., Mate, C.M., Dai, Q., Waltman, R.J., Deng, H., Pocker, D., Xiao, Q.F., Saito, Y., Ohtani, T.: A multidentate lubricant for use in hard disk drives at sub-nanometer thickness. J. Appl. Phys. 111, 024503 (2012)CrossRef Guo, X.C., Marchon, B., Wang, R.H., Mate, C.M., Dai, Q., Waltman, R.J., Deng, H., Pocker, D., Xiao, Q.F., Saito, Y., Ohtani, T.: A multidentate lubricant for use in hard disk drives at sub-nanometer thickness. J. Appl. Phys. 111, 024503 (2012)CrossRef
4.
Zurück zum Zitat Liu, H., Bhushan, B.: Nanotribological characterization of molecularly thick lubricant films for applications to MEMS/NEMS by afm. Ultramicroscopy 97(14), 321–340 (2003)CrossRef Liu, H., Bhushan, B.: Nanotribological characterization of molecularly thick lubricant films for applications to MEMS/NEMS by afm. Ultramicroscopy 97(14), 321–340 (2003)CrossRef
5.
Zurück zum Zitat Liu, Y., Sinha, S.K.: Wear performances of uhmwpe composites with nacre and cnts, and pfpe coatings for bio-medical applications. Wear 300, 44–54 (2013)CrossRef Liu, Y., Sinha, S.K.: Wear performances of uhmwpe composites with nacre and cnts, and pfpe coatings for bio-medical applications. Wear 300, 44–54 (2013)CrossRef
6.
Zurück zum Zitat Marchon, B.: Developments in Data Storage: Materials Perspective, 1st edn. Wiley, New York (2012) Marchon, B.: Developments in Data Storage: Materials Perspective, 1st edn. Wiley, New York (2012)
7.
Zurück zum Zitat Chandross, M., Grest, G.S., Stevens, M.J.: Friction between alkylsilane monolayers: molecular simulation of ordered monolayers. Langmuir 18, 8392–8399 (2002)CrossRef Chandross, M., Grest, G.S., Stevens, M.J.: Friction between alkylsilane monolayers: molecular simulation of ordered monolayers. Langmuir 18, 8392–8399 (2002)CrossRef
8.
Zurück zum Zitat Mikulski, P.T., Herman, L.A., Harrison, J.A.: Odd and even model self-assembled monolayers: links between friction and structure. Langmuir 26, 12197–12206 (2005)CrossRef Mikulski, P.T., Herman, L.A., Harrison, J.A.: Odd and even model self-assembled monolayers: links between friction and structure. Langmuir 26, 12197–12206 (2005)CrossRef
9.
Zurück zum Zitat Ramin, L., Jabbarzadeh, A.: Effect of load on structural and frictional properties of alkanethiol self-assembled monolayers on gold: some OddEven effects. Langmuir 28, 4102–4112 (2012)CrossRef Ramin, L., Jabbarzadeh, A.: Effect of load on structural and frictional properties of alkanethiol self-assembled monolayers on gold: some OddEven effects. Langmuir 28, 4102–4112 (2012)CrossRef
10.
Zurück zum Zitat Waltman, R.J., Tyndall, G.W., Pacansky, J.: Computer-modeling study of the interactions of zdol with amorphous carbon surfaces. Langmuir 15, 6470–6483 (1999)CrossRef Waltman, R.J., Tyndall, G.W., Pacansky, J.: Computer-modeling study of the interactions of zdol with amorphous carbon surfaces. Langmuir 15, 6470–6483 (1999)CrossRef
11.
Zurück zum Zitat Chung, P.S., Park, H., Jhon, M.S.: The static and dynamic responses of binary mixture perfluoropolyether lubricant films molecular structural effects. IEEE Trans. Magn. 45, 3644–3647 (2009)CrossRef Chung, P.S., Park, H., Jhon, M.S.: The static and dynamic responses of binary mixture perfluoropolyether lubricant films molecular structural effects. IEEE Trans. Magn. 45, 3644–3647 (2009)CrossRef
12.
Zurück zum Zitat Koike, A.: Molecular dynamics study of tribological behavior of confined branched and linear perfluoropolyethers. J. Phys. Chem. B 103, 4578–4589 (1999)CrossRef Koike, A.: Molecular dynamics study of tribological behavior of confined branched and linear perfluoropolyethers. J. Phys. Chem. B 103, 4578–4589 (1999)CrossRef
13.
Zurück zum Zitat Li, H.-C., MCcCabe, C., Cui, S.T., Cummings, P.T., Cochran, H.D.: On the development of a general force field for the molecular simulation of perfluoroethers. Mol. Phys. 101, 2157–2169 (2003)CrossRef Li, H.-C., MCcCabe, C., Cui, S.T., Cummings, P.T., Cochran, H.D.: On the development of a general force field for the molecular simulation of perfluoroethers. Mol. Phys. 101, 2157–2169 (2003)CrossRef
14.
Zurück zum Zitat Smith, R.L., Jhon, Y.I., Biegler, L.T., Jhon, M.S.: An atomistic study of perfluoropolyether lubricant thermal stability in heat assisted magnetic recording. IEEE Trans. Magn. 49, 3748–3751 (2013)CrossRef Smith, R.L., Jhon, Y.I., Biegler, L.T., Jhon, M.S.: An atomistic study of perfluoropolyether lubricant thermal stability in heat assisted magnetic recording. IEEE Trans. Magn. 49, 3748–3751 (2013)CrossRef
15.
Zurück zum Zitat Jiang, B., Keffer, D.J., Edwards, B.J.: Estimation and analysis of the rheological properties of a perfluoropolyether through molecular dynamics simulation. J. Fluorine Chem. 127, 787–795 (2006)CrossRef Jiang, B., Keffer, D.J., Edwards, B.J.: Estimation and analysis of the rheological properties of a perfluoropolyether through molecular dynamics simulation. J. Fluorine Chem. 127, 787–795 (2006)CrossRef
16.
Zurück zum Zitat Fukuda, M., Zhang, H., Ishiguro, T., Fukuzawa, K., Itoh, S.: Adhesion properties of nanometer-thick perfluoropolyether films confined between solid surfaces: a coarse-grained molecular dynamics study. Tribol. Lett. 51, 479–487 (2013)CrossRef Fukuda, M., Zhang, H., Ishiguro, T., Fukuzawa, K., Itoh, S.: Adhesion properties of nanometer-thick perfluoropolyether films confined between solid surfaces: a coarse-grained molecular dynamics study. Tribol. Lett. 51, 479–487 (2013)CrossRef
17.
Zurück zum Zitat Li, Y., Wong, C.H., Li, B., Yu, S., Hua, W., Zhou, W.: Lubricant evolution and depletion under laser heating: a molecular dynamics study. Soft Matter 8, 5649–5657 (2012)CrossRef Li, Y., Wong, C.H., Li, B., Yu, S., Hua, W., Zhou, W.: Lubricant evolution and depletion under laser heating: a molecular dynamics study. Soft Matter 8, 5649–5657 (2012)CrossRef
18.
Zurück zum Zitat Ogata, S., Zhang, H., Fukuzawa, K., Mitsuya, Y.: Quantification of the surface morphology of lubricant films with polar end groups using molecular dynamics simulations: periodic changes in morphology depending on film thickness. J. Tribol. 130, 022301 (2008)CrossRef Ogata, S., Zhang, H., Fukuzawa, K., Mitsuya, Y.: Quantification of the surface morphology of lubricant films with polar end groups using molecular dynamics simulations: periodic changes in morphology depending on film thickness. J. Tribol. 130, 022301 (2008)CrossRef
19.
Zurück zum Zitat Derjaguin, B.: Range of action of surface forces. Nature 138, 330–331 (1936)CrossRef Derjaguin, B.: Range of action of surface forces. Nature 138, 330–331 (1936)CrossRef
20.
Zurück zum Zitat Bowles, A.P., Hsia, Y.-T., Jones, P.M., White, L.R., Schneider, J.W.: Quasi-equilibrium afm measurement of disjoining pressure in lubricant nanofilms II: effect of substrate materials. Langmuir 25, 2101–2106 (2009)CrossRef Bowles, A.P., Hsia, Y.-T., Jones, P.M., White, L.R., Schneider, J.W.: Quasi-equilibrium afm measurement of disjoining pressure in lubricant nanofilms II: effect of substrate materials. Langmuir 25, 2101–2106 (2009)CrossRef
21.
Zurück zum Zitat Izumisawa, S., Jhon, M.S.: Calculation of disjoining pressure for lubricant films via molecular simulation. IEEE Trans. Magn. 42, 2543–2545 (2006)CrossRef Izumisawa, S., Jhon, M.S.: Calculation of disjoining pressure for lubricant films via molecular simulation. IEEE Trans. Magn. 42, 2543–2545 (2006)CrossRef
22.
Zurück zum Zitat Wu, Q., Wong, H.: A slope-dependent disjoining pressure for non-zero contact angles. J. Fluid Mech. 506, 157–185 (2004)CrossRef Wu, Q., Wong, H.: A slope-dependent disjoining pressure for non-zero contact angles. J. Fluid Mech. 506, 157–185 (2004)CrossRef
23.
Zurück zum Zitat Yi, T., Wong, H.: Theory of slope-dependent disjoining pressure with application to Lennard Jones liquid films. J. Colloid Interface Sci. 313, 579–591 (2007)CrossRef Yi, T., Wong, H.: Theory of slope-dependent disjoining pressure with application to Lennard Jones liquid films. J. Colloid Interface Sci. 313, 579–591 (2007)CrossRef
24.
Zurück zum Zitat Mathew Mate, C.: Taking a fresh look at disjoining pressure of lubricants at slider-disk interfaces. IEEE Trans. Magn. 47, 124–130 (2011)CrossRef Mathew Mate, C.: Taking a fresh look at disjoining pressure of lubricants at slider-disk interfaces. IEEE Trans. Magn. 47, 124–130 (2011)CrossRef
25.
Zurück zum Zitat Hsia, Y.T., Jones, P., White, L.R.: Can contact-angle measurements determine the disjoining pressure in liquid nanofilms on rigid substrates? Langmuir 20, 10073–10079 (2004)CrossRef Hsia, Y.T., Jones, P., White, L.R.: Can contact-angle measurements determine the disjoining pressure in liquid nanofilms on rigid substrates? Langmuir 20, 10073–10079 (2004)CrossRef
26.
Zurück zum Zitat Butt, H.J., Graf, K., Kappl, M.: Physics and Chemistry of Interfaces. Wiley-VCH, New York (2006) Butt, H.J., Graf, K., Kappl, M.: Physics and Chemistry of Interfaces. Wiley-VCH, New York (2006)
27.
Zurück zum Zitat Israelachvili, J.N.: Intermolecular and Surface Forces, Revised Third Edition. Academic Press, London (2011) Israelachvili, J.N.: Intermolecular and Surface Forces, Revised Third Edition. Academic Press, London (2011)
28.
Zurück zum Zitat Reinhardt, W.P., Miller, M.A., Amon, L.M.: Why is it so difficult to simulate entropies, free energies, and their differences. Acc. Chem. Res. 34, 607–614 (2001)CrossRef Reinhardt, W.P., Miller, M.A., Amon, L.M.: Why is it so difficult to simulate entropies, free energies, and their differences. Acc. Chem. Res. 34, 607–614 (2001)CrossRef
29.
Zurück zum Zitat Straatsma, T.P., McCammon, J.A.: Computational alchemy. Annu. Rev. Phys. Chem. 43, 407–435 (1992)CrossRef Straatsma, T.P., McCammon, J.A.: Computational alchemy. Annu. Rev. Phys. Chem. 43, 407–435 (1992)CrossRef
30.
Zurück zum Zitat McQuarrie, D.A.: Statistical Mechanics. University Science Books, Mill Valley (2000) McQuarrie, D.A.: Statistical Mechanics. University Science Books, Mill Valley (2000)
31.
Zurück zum Zitat Kremer, K., Grest, G.S.: Dynamics of entangled linear polymer melts: a molecular-dynamics simulation. J. Chem. Phys. 92, 5057–5086 (1990)CrossRef Kremer, K., Grest, G.S.: Dynamics of entangled linear polymer melts: a molecular-dynamics simulation. J. Chem. Phys. 92, 5057–5086 (1990)CrossRef
32.
Zurück zum Zitat Guo, Q., Izumisawa, S., Philips, D.M., Jhon, M.S.: Surface morphology and molecular conformation for ultrathin lubricant films with functional end groups. J. Appl. Phys. 93, 8707–8709 (2003)CrossRef Guo, Q., Izumisawa, S., Philips, D.M., Jhon, M.S.: Surface morphology and molecular conformation for ultrathin lubricant films with functional end groups. J. Appl. Phys. 93, 8707–8709 (2003)CrossRef
33.
Zurück zum Zitat Plimpton, S.: Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1–19 (1995)CrossRef Plimpton, S.: Fast parallel algorithms for short-range molecular dynamics. J. Comput. Phys. 117, 1–19 (1995)CrossRef
34.
Zurück zum Zitat Humphrey, W., Dalke, A., Schulten, K.: VMD—visual molecular dynamics. J. Mol. Graph. 14, 33–38 (1996)CrossRef Humphrey, W., Dalke, A., Schulten, K.: VMD—visual molecular dynamics. J. Mol. Graph. 14, 33–38 (1996)CrossRef
35.
Zurück zum Zitat Mate, C.M., Toney, M.F., Leach, K.A.: Roughness of thin perfluoropolyether lubricant films: Influence on disk drive technology. IEEE Trans. Magn. 37(4), 1821–1823 (2001)CrossRef Mate, C.M., Toney, M.F., Leach, K.A.: Roughness of thin perfluoropolyether lubricant films: Influence on disk drive technology. IEEE Trans. Magn. 37(4), 1821–1823 (2001)CrossRef
36.
Zurück zum Zitat Oron, A., Davis, S.H., Bankoff, S.G.: Long-scale evolution of thin liquid films. Rev. Mod. Phys. 69, 931–980 (1997)CrossRef Oron, A., Davis, S.H., Bankoff, S.G.: Long-scale evolution of thin liquid films. Rev. Mod. Phys. 69, 931–980 (1997)CrossRef
Metadaten
Titel
Stability and Structure of Nanometer-Thin Perfluoropolyether Films Using Molecular Simulations
verfasst von
Taeil Yi
Uma Shantini Ramasamy
Seth Lichter
Ashlie Martini
Publikationsdatum
01.05.2014
Verlag
Springer US
Erschienen in
Tribology Letters / Ausgabe 2/2014
Print ISSN: 1023-8883
Elektronische ISSN: 1573-2711
DOI
https://doi.org/10.1007/s11249-014-0316-1

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