Atomistic simulation of interfaces in materials: Theory and applications

Australian Journal of Physics

Volumn 50, Issue 2, 1997, Pages 407-424

  Yarovsky, Irene ^a  

^a BHP BILLITON   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000150767     PISSN: 00049506     EISSN: None     Source Type: Journal    
DOI: 10.1071/P96118     Document Type: Article

References (38)

1. Allen, M. P., and Tildesley, D. J. (1987). 'Computer Simulation of Liquids' (Clarendon: Oxford).
2. Bicerano, J. (1993). 'Prediction of Polymer Properties' (Marcel Dekker: New York).
3. Boehm, H. P. (1966). Adv. Catal. Relat. Subj. 16, 179.
4. Butt, R. I., and Cotter, J. L. (1976). J. Adhesion 8, 11.
5. Carter, J. L., Lucchesi, P. J., Corneil, P., Yates, D. J. C., and Sinfelt, J. H. (1965). J. Phys. Chem. 69, 3070.
6. Choi, K., and Jo, W. H. (1995). Macromolecules 28, 8598.
7. Dauber-Osguthorpe, P., Roberts, V. A., Osguthorpe, D. J., Wolff, J., Genest, M., and Hagler, A. T. (1988). Proteins 4, 31.
8. Dunken, H., and Fink, P. (1966). Z. Chem. 6, 194.
9. Dupre, A. (1869). 'Theorie Mechanique de la Chaleur' (Paris).
10. Flory, P. J. (1979). 'Principles of Polymer Chemistry' (Cornell University: Ithaca).
11. Flory, P. J. (1989). 'Statistical Mechanics of Chain Molecules' (Interscience: New York).
12. Gledhill, R. A., and Kinloch, A. J. (1974). J. Adhesion 6, 315.
13. Hagler, A. T., Lifson, A., and Dauber, P. (1979a). J. Am. Chem. Soc. 101, 5122.
14. Hagler, A. T., Lifson, A., and Dauber, P. (1979b). J. Am. Chem. Soc. 101, 5131.
15. Kaelble, D. H. (1970). J. Adhesion 2, 66.
16. Kaelble, D. H., and Uy, K. C. (1970). J. Adhesion 2, 50.
17. Kinloch, A. J. (1979). In 'Adhesion', Vol. 3 (Ed. K. W. Allen) (Applied Science Publishers: London).
18. Kinloch, A. J., Gledhill, R. A., and Dukes, W. A. (1975). In 'Adhesion Science and Technology' (Ed. L. H. Lee), p. 597 (Plenum: New York).
19. Knozinger, H. (1976). Advances in Catalysis 25, 184.
20. Knozinger, H., and Ratnasamy, P. (1978). Catalysis Rev. 17, 31.
21. Lippens, B. C. (1961). Ph.D. Thesis, Delft University of Technology.
22. Lippens, B. C., and Steggerda, J. J. (1970). In 'Physical and Chemical Aspects of Adsorbents and Catalysts' (Ed. B. G. Linsen), p. 171 (Academic: London).
23. Owen, D. K., and Wendt, R. C. (1969). J. Appl. Polym. Sci. 13, 740.
24. Peri, J. B. (1965). J. Phys. Chem. 69, 220.
25. Peri, J. B., and Hannan, R. B. (1967). J. Phys. Chem. 71, 695.
26. Polymer User Guide (1996). Molecular Simulations, Inc.
27. Swanson, H. E., Cook, M. I., Isaaks, T., and Evans, E. H. (1960). National Bureau of Standards, Circ. No. 539, 9, 3.
28. Tasker, P. W. (1984). In 'Advances in Ceramics', Vol 10 (Ed. W. D. Kingery), pp. 176-89 (Am. Ceramic Soc.: Columbus, OH).
29. Theodorou, D. N. (1992). In 'Physics of Polymer Surfaces and Interfaces', Ch. 7 (Butterworth-Heinemann, Stoneham, MA).
30. Theodorou, D. N., and Suter, U. W. (1986). Macromolecules 19, 139.
31. VanKreveien, D. W. (1990). 'Properties of Polymers' (Elsevier: Amsterdam).
32. Yarovsky, I. (1995). Molecular modelling investigation of Corstrip® adhesion to Colorbond®, BHPR TechNote No. BHPR/CP/N/004.
33. Yarovsky, I. (1996a). Atomistic simulation of the primer/top coat interface in Colorbond®, BHPR Report No. BHPR/CP/R/010.
34. Yarovsky, I. (1996b). New theoretical method for prediction of structure and properties of crosslinked polymers. Application to Cr-free epoxy primers, BHPR TechNote No. BHPR/SC/N/008.
35. Yarovsky, I., and Chaffee, A. L. (1995a). Adhesion at the interface between Zincalume® and primer: A molecular modelling investigation. BHPR Report No. BHPR/CP/R/005.
36. Yarovsky, I., and Chaffee, A. L. (1995b). Effect of primer chemical composition and molecular weight on adhesion to Zincalume®, BHPR Report No. BHPR/CP/R/018.
37. Yoshida, S. (1990). In 'Theoretical Aspects of Heterogeneous Catalysis' (Ed. J. B. Morrat), p. 506 (Van Nostrand Reinhold: New York).
38. Zecchina, A., Coluccia, S., Guglielminotti, E., and Ghiotti, G. (1971). J. Phys. Chem. 75, 2774.