Friction and a tribochemical reaction between ice and hexagonal boron nitride: A theoretical study

Tribology Letters

Volumn 29, Issue 2, 2008, Pages 163-167

  Koskilinna, Jussi O ^a   Linnolahti, Mikko ^a   Pakkanen, Tapani A ^a  

^a UNIVERSITY OF EASTERN FINLAND   (Finland)

Author keywords

Ab initio calculations; Borides; Friction mechanisms; Nitrides

Indexed keywords

AB INITIO CALCULATIONS; FRICTION MECHANISMS;

BORIDES; NITRIDES; SURFACE ANALYSIS; TRIBOLOGY;

FRICTION;

BORIDES; FRICTION; NITRIDES; SURFACE ANALYSIS; TRIBOLOGY;

EID: 38349025358     PISSN: 10238883     EISSN: None     Source Type: Journal    
DOI: 10.1007/s11249-007-9293-y     Document Type: Article

References (53)

1. Lee, K.S., Kim, Y.S., Tosa, M., Kasahara, A., Yosihara, K.: Mechanical properties of hexagonal boron nitride synthesized from film of Cu/BN mixture by surface segregation. Appl. Surf. Sci. 169-170, 420-424 (2001)
2. Kim, Y.S., Lee, K.S., Lee, J., Tosa, M., Kasahara, A., Yosihara, K.: Surface segregation of hexagonal boron nitride and its surface properties. J. Vac. Sci. Technol. A 19, 1013-1017 (2001)
3. Olander, J., Ottosson, M., Heszler, P., Carlsson, J.-O., Larsson, K.M.E.: Laser-assisted atomic layer deposition of boron nitride thin films. Chem. Vap. Deposition 11, 330-337 (2005)
4. Corso, M., Auwärter, W., Muntwiler, M., Tamai, A., Greber, T., Osterwalder, J.: Boron nitride nanomesh. Science 303, 217-220 (2004)
5. Corso, M., Greber, T., Osterwalder, J.: h-BN on Pd(110): a tunable system for self-assembled nanostructures? Surf. Sci. 577, L78-L84 (2005)
6. Greber, T., Brandenberger, L., Corso, M., Tamai, A., Osterwalder, J.: Single layer hexagonal boron nitride films on Ni(110). J. Surf. Sci. Nanotech. 4, 410-413 (2006)
7. Morscher, M., Corso, M., Greber, T., Osterwalder, J.: Formation of single layer h-BN on Pd(111). Surf. Sci. 600, 3280-3284 (2006)
8. Lee, K.S., Kim, Y.S., Tosa, M., Kasahara, A., Yosihara, K.: Hexagonal boron nitride film substrate for fabrication of nanostructures. Appl. Surf. Sci. 169-170, 415-419 (2001)
9. Johansson, E., Larsson, K., Carlsson, J.-O.: Diamond nucleation on hexagonal boron nitride: an ab initio study of energetics. J. Phys. Chem. 99, 12781-12785 (1995)
10. Carbone, M., Larsson, K., Carlsson, J.-O.: Diamond nucleation on hexagonal boron nitride: a theoretical investigation of the influence of nearest substituents. J. Phys. Chem. A 101, 9445-9448 (1997)
11. 3 and Na substituents. J. Phys. Chem. B 102, 5866-5869 (1998)
12. Mårlid, B., Larsson, K., Carlsson, J.-O.: Hydrogen and fluorine adsorption on the h-BN plane. J. Phys. Chem. B 103, 7637-7642 (1999)
13. Mårlid, B., Larsson, K., Carlsson, J.-O.: Nucleation of c-BN on hexagonal boron nitride. Phys. Rev. B 64, 184107 (2001)
14. Olander, J., Larsson, K.: Initial growth of hexagonal and cubic boron nitride: a theoretical study. Phys. Rev. B 68, 075411 (2003)
15. Botz, F.K., Handley, M.A.: Film-forming metalworking lubricating oil containing glyceridic oils and hexagonal boron nitride. PCT Int. Appl. WO 2005/108530 (2005)
16. Tequi, P., Constans, B., Lovine, S., Ladaviere, R.: Additive composition for transmission oil containing hexagonal boron nitride and viscosity index improver. Eur. Pat. Appl. EP 1535987 (2005)
17. Tequi, P., Constans, B., Iovine, S., Ladaviere, R., Martin, J.M., Le, M.T.: Additive composition for transmission oil containing hydrated alkali metal borate and hexagonal boron nitride. Eur. Pat. Appl. EP 1386956 (2004)
18. Kimura, Y., Wakabayashi, T., Okada, K., Wada, T., Nishikawa, H.: Boron nitride as a lubricant additive. Wear 232, 199-206 (1999)
19. Chapman, L.A., Holcombe, C.E.: Surface lubricant for objects containing forms of water and method of preparation. U.S. Patent Documents, 5,409,622 (1995)
20. 4 and hBN in water. Wear 236, 153-158 (1999)
21. Saito, T., Honda, F.: Chemical contribution to friction behavior of sintered hexagonal boron nitride in water. Wear 237, 253-260 (2000)
22. Saito, T., Honda, F.: Low friction behavior of sintered hBN sliding in sodium chloride solution. Wear 244, 132-139 (2000)
23. 4-hBN composites by water lubrication. Wear 247, 223-230 (2001)
24. Urbakh, M., Klafter, J., Gourdo, D., Israelachvili, J.: The nonlinear nature of friction. Nature 430, 525-528 (2004)
25. Gao, G., Cannara, R.J., Carpick, R.W., Harrison, J.A.: Atomic-scale friction on diamond: a comparison of different sliding directions on (001) and (111) surfaces using MD and AFM. Langmuir 23(10), 5394-5405 (2007)
26. Gao, G., Van Workum, K., Schall, J.D., Harrison, J.A.: Elastic constants of diamond from molecular dynamics simulations. J. Phys. Condens. Matter 18, S1737-S1750 (2006)
27. Gao, G., Mikulski, P.T., Chateauneuf, G.M., Harrison, J.A.: The effects of film structure and surface hydrogen on the properties of amorphous carbon films. J. Phys. Chem. B 107(40), 11082-11090 (2003)
28. Gao, G.T., Mikulski, P.T., Harrison, J.A.: Molecular-scale tribology of amorphous carbon coatings: effects of film thickness, adhesion, and long-range interactions. J. Am. Chem. Soc. 124, 7202-7209 (2002)
29. Mikulski, P.T., Harrison, J.A.: Periodicities in the properties associated with the friction of model self-assembled monolayers. Tribol. Lett. 10, 29-35 (2001)
30. Mikulski, P.T., Harrison, J.A.: Packing-density effects on the friction of n-alkane monolayers. J. Am. Chem. Soc. 123, 6873-6881 (2001)
31. Tutein, A.B., Stuart, S.J., Harrison, J.A.: Role of defects in compression and friction of anchored hydrocarbon chains on diamond. Langmuir 16, 291-296 (2000)
32. Tutein, A.B., Stuart, S.J., Harrison, J.A.: Indentation analysis of linear-chain hydrocarbon monolayers anchored to diamond. J. Phys. Chem. B 103, 11357-11365 (1999)
33. Harrison, J.A., Colton, R.J., White, C.T., Brenner, D.W.: Effect of atomic-scale surface roughness on friction: a molecular dynamics study of diamond surfaces. Wear 168, 127-133 (1993)
34. Harrison, J.A., White, C.T., Colton, R.J., Brenner, D.W.: Effects of chemically bound, flexible hydrocarbon species on the frictional properties of diamond surfaces. J. Phys. Chem. 97, 6573-6576 (1993)
35. Harrison, J.A., Brenner, D.W.: Simulated tribochemistry: an atomic-scale view of the wear of diamond. J. Am. Chem. Soc. 116, 10399-10402 (1994)
36. Harrison, J.A., White, C.T., Colton, R.J., Brenner, D.W.: Investigation of the atomic-scale friction and energy dissipation in diamond using molecular dynamics. Thin Solid Films 260, 205-211 (1995)
37. Perry, M.D., Harrison, J.A.: The effects of methane-debris molecules on the frictional properties of diamond. Tribol. Lett. 1, 109-119 (1995)
38. Harrison, J.A., Perry, M.D.: Friction in the presence of molecular lubricants and solid/hard coatings. MRS Bull. 23, 27-31 (1998)
39. Neitola, R., Pakkanen, T.A.: Ab initio studies on the atomic-scale origin of friction between diamond (111) surfaces. J. Phys. Chem. B 105, 1338-1343 (2001)
40. Ruuska, H., Pakkanen, T.A.: Ab initio model study on a water molecule between graphite layers. Carbon 41, 699-706 (2003)
41. Neitola, R., Pakkanen, T.A.: Ab initio studies on the atomic-scale origin of friction between hydrocarbon layers. Chem. Phys. 299, 47-56 (2004)
42. Neitola, R., Ruuska, H., Pakkanen, T.A.: Ab initio studies on nanoscale friction between graphite layers: effect of model size and level of theory. J. Phys. Chem. B 109, 10348-10354 (2005)
43. Neitola, R., Pakkanen, T.A.: Ab initio studies on nanoscale friction between fluorinated diamond surfaces: effect of model size and level of theory. J. Phys. Chem. B 110, 16660-16665 (2006)
44. 6) dimer. Chem. Phys. 119, 10081-10087 (2003)
45. Koskilinna, J.O., Linnolahti, M., Pakkanen, T.A.: Friction coefficient for hexagonal boron nitride surfaces from ab initio calculations. Tribol. Lett. 24, 37-41 (2006)
46. Koskilinna, J.O., Linnolahti, M., Pakkanen, T.A.: Friction paths for cubic boron nitride: an ab initio study. Tribol. Lett. 24, 145-154 (2007)
47. Orlando, R., Dovesi, R., Roetti, C.J.: Ab initio Hartree-Fock calculations for periodic compounds: application to semiconductors. Phys. Condens. Matter. 2, 7769-7789 (1990)
48. Gaussian 03 (Revision b.01), Frisch, M.J., Trucks, G.W., Schlegel, H.B., Scuseria, G.E., Robb, M.A., Cheeseman, J.R., Montgomery, J.A. Jr., Vreven, T., Kudin, K.N., Burant, J.C., Millam, J.M., Iyengar, S.S., Tomasi, J., Barone, V., Mennucci, B., Cossi, M., Scalmani, G., Rega, N., Petersson, G.A., Nakatsuji, H., Hada, M., Ehara, M., Toyota, K., Fukuda, R., Hasegawa, J., Ishida, M., Nakajima, T., Honda, Y., Kitao, O., Nakai, H., Klene, M., Li, X., Knox, J.E., Hratchian, H.P., Cross, J.B., Adamo, C., Jaramillo, J., Gomperts, R., Stratmann, R.E., Yazyev, O., Austin, A.J., Cammi, R., Pomelli, C., Ochterski, J.W., Ayala, P.Y., Morokuma, K., Voth, G.A., Salvador, P., Dannenberg, J.J., Zakrzewski, V.G., Dapprich, S., Daniels, A.D., Strain, M.C., Farkas, O., Malick, D.K., Rabuck, A.D., Raghavachari, K., Foresman, J.B., Ortiz, J.V., Cui, Q., Baboul, A.G., Clifford, S., Cioslowski, J., Stefanov, B.B., Liu, G., Liashenko, A., Piskorz, P., Komaromi, I., Martin, R.L., Fox, D.J., Keith, T., Al-Laham, M.A., Peng, C.Y., Nanayakkara, A., Challacombe, M., Gill, P.M.W., Johnson, B., Chen, W., Wong, M.W., Gonzalez, C., Pople, J.A. (Gaussian Inc., Pittsburgh, PA, 2003)
49. Kuhs, W.F., Lehmann, M.S.: Bond-lengths, bond angles and transition barrier in ice Ih by neutron scattering. Nature 294, 432-434 (1981)
50. Zhong, W., Tománek, D.: First-principles theory of atomic-scale friction. Phys. Rev. Lett. 64, 3054-3057 (1990)
51. Overney, G., Zhong, W., Tománek, D.: Theory of elastic tip-surface interactions in atomic force microscopy. J. Vac. Sci. Technol. B 9, 479-482 (1990)
52. Tománek, D., Zhong, W., Thomas, H.: Calculation of an atomically modulated friction force in atomic-force microscopy. Europhys. Lett. 15, 887-892 (1991)
53. Matsuzawa, N.N., Kishii, N.J.: Theoretical calculations of coefficients of friction between weakly interacting surfaces. Phys. Chem. A 101, 10045-10052 (1997)