Molecular dynamics simulations of granular compaction: The single granule case

Journal of Chemical Physics

Volumn 118, Issue 10, 2003, Pages 4636-4648

  Sanchez Castillo, Francisco X ^a   Anwar, Jamshed ^a   Heyes, David M ^b  

^a KING'S COLLEGE LONDON   (United Kingdom)

^b UNIVERSITY OF SURREY   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

COMPACTION; COMPRESSION TESTING; COMPUTER SIMULATION; GRANULAR MATERIALS; LAMINATES; PLASTIC DEFORMATION;

GRANULAR COMPACTION; LENNARD-JONES PARTICLES; TABLETTING;

MOLECULAR DYNAMICS;

EID: 0037426167     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1543982     Document Type: Article

References (48)

1. A. Fujiki, H. Kojima, and T. Aizawa, Mater. Trans., JIM 43, 348 (2002).
2. D. Whittaker, Int. J. Powder Metall. 34, 53 (1998).
3. R. Yong and B. P. Warkentin, Introduction to Soil Behavior (Macmillan, New York, 1996).
4. P. L. Berry and D. Reid, An Introduction to Soil Mechanics (McGraw-Hill, United Kingdom, 1987).
5. M. A. Tripodi, V. M. Puri, H. B. Manbeck, and G. L. Messing, Powder Technol. 85, 241 (1995).
6. R. E. Carter, Rheology of Food, Pharmaceuticals and Biological Materials with General Rheology (Elsevier Applied Science, London, 1989).
7. B. Gunnink and W. Li, Powder Technol. 107, 273 (2000).
8. H. Liu and T. R. Marrero, Powder Technol. 94, 217 (1997).
9. M. C. Monedero, M. R. Jimenez-Castellanos, M. V. Velasco, and A. Munos-Ruiz, Drug Dev. Ind. Pharm. 24, 613 (1998).
10. H. Kim, G. Venkatesh, and R. Fassihi, Int. J. Pharm. 161, 149 (1998).
11. P. V. Marshall, P. York, and J. Q. Maclaine, Powder Technol. 74, 171 (1993).
12. D. V. Tran, R. W. Lewis, D. T. Gethin, and A. K. Ariffin, Powder Metall. 36, 257 (1993).
13. J. L. Chenot, F. Bay, and I. Fourment, Int. J. Numer. Methods Eng. 30, 1649 (1990).
14. P. A. Cundall and R. D. Hart, Proceedings of the First Conference on Discrete Element Methods, Golden, CO, 1989, pp. 1-17.
15. D. T. Gethin, R. S. Ransing, R. W. Lewis, M. Dutko, and A. J. L. Crook, Comput. Struct. 79, 1287 (2001).
16. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Oxford Science, Oxford, 1987).
17. D. M. Heyes, The Liquid State: Applications of Molecular Simulations (Wiley, England, 1998).
18. J. Baxter, U. Tuzun, J. Burnell, and D. M. Heyes, Phys. Rev. E 55, 3646 (1997).
19. J. J. Nicolas, K. E. Gubbins, W. B. Street, and D. J. Tildesley, Mol. Phys. 37, 1429 (1979).
20. J. D. Weeks, D. Chandler, and H. C. Anderson, J. Chem. Phys. 54, 5237 (1971).
21. F. X. Sanchez-Castillo, Ph.D. thesis, King's College London, 2001.
22. L. V. Woodcock, Chem. Phys. Lett. 10, 257 (1971).
23. R. Agrawal and D. A. Kofke, Mol. Phys. 85, 43 (1995).
24. J. K. Bording, Phys. Rev. B 62, 7103 (2000).
25. M. R. Beltran, J. M. Soler, K. Michaelian, I. L. Garzon, P. Ordejon, D. Sanchez-Portal, and E. Artacho, Phys. Rev. B 61, 5771 (2000).
26. R. A. Flinn and P. K. Trojan, Engineering Materials and their Applications, 4th ed. (Houghton Mifflin, Boston, 1990).
27. C. E. Rowlings, D. E. Wurster, and P. J. Ramsey, Int. J. Pharm. 116, 191 (1995).
28. J. K. Yliruusi and O. K. Antikainen, Drug Dev. Ind. Pharm. 23, 69 (1997).
29. J. K. Yliruusi, P. Merkku, L. Hellen, and O. K. Antikainen, Drug Dev. Ind. Pharm. 23, 63 (1997).
30. G. Alderborn and C. Nystrom, Pharmaceutical Powder Compaction Technology (Marcel Dekker, New York,1996).
31. H. A. Lieberman, L. Lachman, and J. B. Schwartz, Pharmaceutical Dosage Forms: Tablets, 2nd ed. (Dekker, New York, 1990), Vol. 2.
32. S. C. Porter, "Pan coating of tablets and granules," in Pharmaceutical Dosage Forms: Tablets, edited by H. A. Lieberman, L. Lachman, and J. B. Schwartz (Dekker, New York, 1990), Vol. 3.
33. T. Kustanovich, S. Alexander, and Z. Olami, Physica A 266, 434 (1999).
34. T. Kustanovich and Z. Olami, Phys. Rev. B 61, 4813 (2000).
35. K. Takano, K. Nishii, A. Mukoyama, Y. Iwadate, H. Kamiya, and M. Horio, Powder Technol. 122, 212 (2002).
36. A. Schweiger and I. Zimmermann, Powder Technol. 101, 7 (1999).
37. K. L. Johnson, K. Kendall, and A. D. Roberts, Proc. R. Soc. London, Ser. A 324, 301 (1971).
38. K. Kendall, Science 263, 1720 (1994).
39. O. Blaschko, G. Krexner, G. Pleschiutschnig, G. Ernst, C. Hitzenberger, H. P. Karnthaler, and A. Korner, Phys. Rev. Lett. 60, 2800 (1998).
40. J. E. Bidaux, R. Schaller, and W. Benoit, Acta Metall. 37, 803 (1989).
41. M. G. Ryschkewitsch, J. P. Franck, B. J. Duch, and W. B. Daniel, Phys. Rev. B 26, 5276 (1982).
42. S. Somasi, B. Khomami, and R. Lovett, J. Chem. Phys. 113, 4320 (2000).
43. S. Somasi, B. Khomami, and R. Lovett, J. Chem. Phys. 114, 6315 (2001).
44. H. K. Chan and E. Doelker, Drug Dev. Ind. Pharm. 11, 315 (1985).
45. A. K. Sheridan, Ph.D thesis, King's College, London 1994.
46. H. G. Brittain and E. F. Fiese, "Effects of pharmaceutical processing on drug polymorphism in pharmaceutical solids," in Polymorphism in Pharmaceutical Solids, edited by H. G. Brittain (Dekker, New York, 1999).
47. L. Lachman, H. A. Lieberman, and J. L. Kanig, The Theory and Practice of Industrial Pharmacy, 3rd ed. (Lea & Febiger, Philadelphia, 1986).
48. K. L. Johnson, Contact Mechanics (Cambridge University Press, Cambridge, MA, 1999).