Crack propagation and fracture in ceramic films - Million atom molecular dynamics simulations on parallel computers

Materials Science and Engineering B

Volumn 37, Issue 1-3, 1996, Pages 56-71

  Vashishta, Priya ^a   Nakano, Aiichiro ^a   Kalia, Rajiv K ^a   Ebbsjö, Ingvar ^b  

^a LOUISIANA STATE UNIVERSITY   (United States)

^b UPPSALA UNIVERSITY   (Sweden)

Author keywords

Ceramic films; Crack propagation; Fracture; Molecular dynamics; Silicon nitride; Silicon oxide

Indexed keywords

CERAMICS; CRACK PROPAGATION; FRACTURES; SIMULATION;

EID: 0029673293     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/0921-5107(95)01458-6     Document Type: Article

References (78)

1. M.P. Allen and D.J. Tildesley, Computer Simulation of Liquids, Oxford University Press, Oxford, 1990.
2. R. Car and M. Parrinello, Phys. Rev. Lett., 55 (1985) 2471.
3. D.C. Rapaport, Comput. Phys. Commun., 62 (1991) 217.
4. R.K. Kalia, A. Nakano, D.L. Greenwell, P, Vashishta and S.W. de Leeuw, Supercomputer, 54 (X-2) (1993) 11.
5. P. Vashishta, R.K. Kalia, S.W. de Leeuw, D.L. Greenwell, A. Nakano, W. Jin, J. Yu, L. Bi and W. Li, Comput. Mater. Sci., 2 (1994) 180.
6. R.K. Kalia, S.W. de Leeuw, A. Nakano and P. Vashishta, Comput. Phys. Commun., 74 (1993) 316.
7. W. Li, R.K. Kalia, S.W. de Leeuw, A. Nakano, D.L. Greenwell and P. Vashishta, Mater. Res. Soc. Symp. Proc., 291 (1993) 267.
8. A. Nakano, P. Vashishta and R.K. Kalia, Comput. Phys. Commun., 77 (1993) 302.
9. A. Nakano, P. Vashishta and R.K. Kalia, submitted to SIAM J. Sci. Comput.
10. A. Nakano, R.K. Kalia and P. Vashishta, Comput. Phys. Commun., 83 (1994) 197.
11. J. Barnes and P. Hut, Nature, 324 (1986) 446.
12. L. Greengard and V. Rokhlin, J. Comput. Phys., 73 (1987) 325.
13. H.-Q. Ding, N. Karasawa and W.A. Goddard, Chem. Phys. Lett., 196 (1992) 6.
14. W.B. Streett, D.J. Tildesley and G. Saville, Mol. Phys., 35 (1978) 639.
15. D. Frenkel, in A. Polian and P. Loubeyre (eds.), Simple Molecular Systems at Very High Density, Plenum, New York, 1989, p. 411.
16. J.M. Drake and J. Klafter, Phys. Today, 43 (1990) 46.
17. J. Fricke, J. Non-Cryst. Solids, 121 (1990) 188; 147-148 (1992) 356.
18. J. Fricke, J. Non-Cryst. Solids, 121 (1990) 188; 147-148 (1992) 356.
19. G.D. Stucky and J.E. MacDougall, Science, 247 (1990) 669.
20. S. Somiya, M. Mitomo and M. Yoshimura (eds.), Silicon Nitride - 1, Elsevier Science, New York, 1990. P.T.B. Shaffer and A. Goel, Silicon Nitride, Advanced Refractory. Technologies Inc., Buffalo, NY, 1993.
21. S. Somiya, M. Mitomo and M. Yoshimura (eds.), Silicon Nitride - 1, Elsevier Science, New York, 1990. P.T.B. Shaffer and A. Goel, Silicon Nitride, Advanced Refractory. Technologies Inc., Buffalo, NY, 1993.
22. X.S. Ning et al., J. Mater. Sci., 24 (1989) 2865. L. Zambov et al., Vacuum, 43 (1992) 227. R.E. Tressler, MRS Bull (Sept. 1993) 58. W. Braue, H.J. Dudek and G. Ziegler, J. Non-Cryst. Solids, 56 (1983) 185.
23. X.S. Ning et al., J. Mater. Sci., 24 (1989) 2865. L. Zambov et al., Vacuum, 43 (1992) 227. R.E. Tressler, MRS Bull (Sept. 1993) 58. W. Braue, H.J. Dudek and G. Ziegler, J. Non-Cryst. Solids, 56 (1983) 185.
24. X.S. Ning et al., J. Mater. Sci., 24 (1989) 2865. L. Zambov et al., Vacuum, 43 (1992) 227. R.E. Tressler, MRS Bull (Sept. 1993) 58. W. Braue, H.J. Dudek and G. Ziegler, J. Non-Cryst. Solids, 56 (1983) 185.
25. X.S. Ning et al., J. Mater. Sci., 24 (1989) 2865. L. Zambov et al., Vacuum, 43 (1992) 227. R.E. Tressler, MRS Bull (Sept. 1993) 58. W. Braue, H.J. Dudek and G. Ziegler, J. Non-Cryst. Solids, 56 (1983) 185.
26. M. Kardar, G. Parisi and Y.C. Zhang, Phys. Rev. Lett., 56 (1986) 889.
27. F. Family and D.P. Landau (eds.), Kinetics of Aggregation and Gelation, North-Holland, Amsterdam, 1984, and references cited therein. F. Family, Physica A, 168 (1990) 561. F. Family and R. Pandey, J. Phys. A, 25 (1992) L745. J.-F. Gouyet, M. Rosso and B. Sapoval, in A. Bunde and S. Havlin (eds.), Fractals and Disordered Systems, Springer, Berlin, 1991, p. 229. S. Das Sarma and G.V. Gaisas, Phys. Rev. Lett., 69 (1992) 3762.
28. F. Family and D.P. Landau (eds.), Kinetics of Aggregation and Gelation, North-Holland, Amsterdam, 1984, and references cited therein. F. Family, Physica A, 168 (1990) 561. F. Family and R. Pandey, J. Phys. A, 25 (1992) L745. J.-F. Gouyet, M. Rosso and B. Sapoval, in A. Bunde and S. Havlin (eds.), Fractals and Disordered Systems, Springer, Berlin, 1991, p. 229. S. Das Sarma and G.V. Gaisas, Phys. Rev. Lett., 69 (1992) 3762.
29. F. Family and D.P. Landau (eds.), Kinetics of Aggregation and Gelation, North-Holland, Amsterdam, 1984, and references cited therein. F. Family, Physica A, 168 (1990) 561. F. Family and R. Pandey, J. Phys. A, 25 (1992) L745. J.-F. Gouyet, M. Rosso and B. Sapoval, in A. Bunde and S. Havlin (eds.), Fractals and Disordered Systems, Springer, Berlin, 1991, p. 229. S. Das Sarma and G.V. Gaisas, Phys. Rev. Lett., 69 (1992) 3762.
30. F. Family and D.P. Landau (eds.), Kinetics of Aggregation and Gelation, North-Holland, Amsterdam, 1984, and references cited therein. F. Family, Physica A, 168 (1990) 561. F. Family and R. Pandey, J. Phys. A, 25 (1992) L745. J.-F. Gouyet, M. Rosso and B. Sapoval, in A. Bunde and S. Havlin (eds.), Fractals and Disordered Systems, Springer, Berlin, 1991, p. 229. S. Das Sarma and G.V. Gaisas, Phys. Rev. Lett., 69 (1992) 3762.
31. F. Family and D.P. Landau (eds.), Kinetics of Aggregation and Gelation, North-Holland, Amsterdam, 1984, and references cited therein. F. Family, Physica A, 168 (1990) 561. F. Family and R. Pandey, J. Phys. A, 25 (1992) L745. J.-F. Gouyet, M. Rosso and B. Sapoval, in A. Bunde and S. Havlin (eds.), Fractals and Disordered Systems, Springer, Berlin, 1991, p. 229. S. Das Sarma and G.V. Gaisas, Phys. Rev. Lett., 69 (1992) 3762.
32. E. Bouchaud, G. Lapasset and J. Planès, Europhys. Lett., 13 (1990) 73. E. Bouchaud, G. Lapasset, J. Planès and S. Navéos, Phys. Rev. B, 48 (1993) 2917. J.P. Bouchard, E. Bouchard, G. Lapasset and J. Planès, Phys. Rev. Lett., 71 (1993) 2240.
33. E. Bouchaud, G. Lapasset and J. Planès, Europhys. Lett., 13 (1990) 73. E. Bouchaud, G. Lapasset, J. Planès and S. Navéos, Phys. Rev. B, 48 (1993) 2917. J.P. Bouchard, E. Bouchard, G. Lapasset and J. Planès, Phys. Rev. Lett., 71 (1993) 2240.
34. E. Bouchaud, G. Lapasset and J. Planès, Europhys. Lett., 13 (1990) 73. E. Bouchaud, G. Lapasset, J. Planès and S. Navéos, Phys. Rev. B, 48 (1993) 2917. J.P. Bouchard, E. Bouchard, G. Lapasset and J. Planès, Phys. Rev. Lett., 71 (1993) 2240.
35. K.J. Måløy, A. Hansen, E.L. Hinrichsen and S. Roux, Phys. Rev. Lett., 68 (1992) 213; 71 (1993) 205.
36. K.J. Måløy, A. Hansen, E.L. Hinrichsen and S. Roux, Phys. Rev. Lett., 68 (1992) 213; 71 (1993) 205.
37. V.Y. Milman, R. Blumenfeld, N.A. Stelmashenko and R.C. Ball, Phys. Rev. Lett., 71 (1993) 204.
38. B.B. Mandelbrot, D.E. Passoja and A.J. Paullay, Nature, 308 (1984) 721.
39. L.A. Bursill, F. XuDong and P. JuLin, Philos. Mag. A, 64 (1991) 443.
40. J.C. Phillips, J. Non-Cryst. Solids, 34 (1979) 153; 43 (1981) 37.
41. J.C. Phillips, J. Non-Cryst. Solids, 34 (1979) 153; 43 (1981) 37.
42. M.F. Thorpe, J. Non-Cryst. Solids, 57 (1983) 355.
43. H. He and M.F. Thorpe, Phys. Rev. Lett., 54 (1985) 2107. Y. Cai and M.F. Thorpe, Phys. Rev. B, 40 (1989) 10535.
44. H. He and M.F. Thorpe, Phys. Rev. Lett., 54 (1985) 2107. Y. Cai and M.F. Thorpe, Phys. Rev. B, 40 (1989) 10535.
45. I.P. Swainson and M.T. Dove, Phys. Rev. Lett., 71 (1993) 193.
46. N. Ahmad, T. Hussain and C.J. Adkins, J. Phys: Codens. Matter, 5 (1993) 147.
47. U. Buchenau et al., Phys. Rev. B, 34 (1986) 5665.
48. M. Garcia-Hernandez et al., Phys. Rev. B, 48 (1993) 149.
49. A. Nakano, R.K. Kalia and P. Vashishta, Phys. Rev. Lett. 75, (1995) 3138
50. S.W. de Leeuw, J.W. Perram and E.R. Smith, Proc. R. Soc. London, Ser. A, 373 (1980) 27.
51. A. Nakano, R.K. Kalia and P. Vashishta, Phys. Rev. Lett., 73 (1994) 2336.
52. F.F. Abraham, D. Brodbeck, R.A. Rafey and W.E. Rudge, Phys. Rev. Lett., 73 (1994) 272.
53. P. Vashishta, R.K. Kalia, J.P. Rino and I. Ebbsjö, Phys. Rev. B, 41 (1990) 12197.
54. J.P. Rino, G. Gutierrez, I. Ebbsjö, R.K. Kalia and P. Vashishta, to be published.
55. A. Nakano, L. Bi, R.K. Kalia and P. Vashishta, Phys. Rev. Lett., 71 (1993) 85. A. Nakano, L. Bi, R.K. Kalia and P. Vashishta, Phys. Rev. B, 49 (1994) 5008.
56. A. Nakano, L. Bi, R.K. Kalia and P. Vashishta, Phys. Rev. Lett., 71 (1993) 85. A. Nakano, L. Bi, R.K. Kalia and P. Vashishta, Phys. Rev. B, 49 (1994) 5008.
57. S. Susman, K.J. Volin, D.G. Montague and D.L. Price, Phys. Rev. B, 43 (1991) 11076.
58. P.A.V. Johnson, A.C. Wright and R.N. Sinclair, J. Non-Cryst. Solids, 58 (1983) 109.
59. W. Jin, R.K. Kalia, P. Vashishta and J.P. Rino, Phys. Lett., 71 (1993) 3146.
60. C. Meade, R.J. Hemley and H.K. Mao, Phys. Rev. Lett., 69 (1992) 1387.
61. First MD simulations on porous silica were performed by J. Kieffer and C.A. Angell, J. Non-Cryst. Solids, 106 (1988) 336.
62. B.B. Lowekamp and J.C. Schug, Comput. Phys. Commun., 76 (1993) 281.
63. M. Plischke and Z. Rácz, Phys. Rev. Lett., 53 (1984) 415.
64. D. Stauffer, Introduction to Percolation Theory, Taylor & Francis, London, 1985. R. Zallen, The Physics of Amorphous Solids, Wiley, New York, 1983.
65. D. Stauffer, Introduction to Percolation Theory, Taylor & Francis, London, 1985. R. Zallen, The Physics of Amorphous Solids, Wiley, New York, 1983.
66. G. Palasantzas and J. Krim, Phys. Rev. B, 48 (1993) 2873.
67. A. Hansen, E.L. Hinrichsen and S. Roux, Phys. Rev. Lett., 66 (1991) 2476. L. de Arcangelis and H.J. Herrmann, Phys. Rev. B, 39 (1989) 2678. S. Roux and D. Francois, Scr. Metall., 25 (1991) 1092.
68. A. Hansen, E.L. Hinrichsen and S. Roux, Phys. Rev. Lett., 66 (1991) 2476. L. de Arcangelis and H.J. Herrmann, Phys. Rev. B, 39 (1989) 2678. S. Roux and D. Francois, Scr. Metall., 25 (1991) 1092.
69. A. Hansen, E.L. Hinrichsen and S. Roux, Phys. Rev. Lett., 66 (1991) 2476. L. de Arcangelis and H.J. Herrmann, Phys. Rev. B, 39 (1989) 2678. S. Roux and D. Francois, Scr. Metall., 25 (1991) 1092.
70. I. Ebbsjö, R.K. Kalia and P. Vashishta, to be published.
71. K. Kato et al., J. Am. Ceram. Soc., 58 (1975) 90. R. Grün, Acta Crystallogr. B, 35 (1979) 800.
72. K. Kato et al., J. Am. Ceram. Soc., 58 (1975) 90. R. Grün, Acta Crystallogr. B, 35 (1979) 800.
73. M. Misawa et al., J. Non-Cryst. Solids, 34 (1979) 313. T. Aiyama et al., J. Non-Cryst. Solids, 33 (1979) 131.
74. M. Misawa et al., J. Non-Cryst. Solids, 34 (1979) 313. T. Aiyama et al., J. Non-Cryst. Solids, 33 (1979) 131.
75. N. Wada, S.A. Solin, J. Wong and S. Prochazka, J. Non-Cryst. Solids, 43 (1981) 7.
76. E. Bouchaud and S. Navéos, J. Phys. I (France) 5, (1995) 547
77. J.P. Bouchard, E. Bouchaud, G. Lapasset and J. Planès, Phys. Rev. Lett., 71 (1993) 2240.
78. D. Etras and M. Karder, Phys. Rev. Lett., 69 (1992) 889.