Calculations of theoretical strength: State of the art and history

Journal of Computer-Aided Materials Design

Volumn 11, Issue 1, 2004, Pages 1-28

  Pokluda, J ^a   Cerny M ^a   Sandera P ^a   Sob M ^b,c  

^a BRNO UNIVERSITY OF TECHNOLOGY   (Czech Republic)

^b MASARYK UNIVERSITY   (Czech Republic)

^c INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

Author keywords

Elastic stability; Theoretical strength

Indexed keywords

COMPOSITE MICROMECHANICS; CRYSTALLINE MATERIALS; DATABASE SYSTEMS; DEFORMATION; ELASTIC MODULI; FRACTURE; MATRIX ALGEBRA; NUCLEATION; SINGLE CRYSTALS;

DISLOCATION LOOP; ELASTIC STABILITY; JACOBIAN MATRIX; THEORETICAL STRENGTH;

STRENGTH OF MATERIALS;

EID: 17144403897     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1007/s10820-004-4567-2     Document Type: Article

References (103)

1. Brenner, S.S., J. Appl. Phys., 27 (1956) 1484.
2. Nadgorny, E.M., Sov. Phys. Uspekhi, 5 (1962) 462.
3. Kelly, A. and Macmillan N.H., Strong Solids, Oxford: Clarendon Press, 1986.
4. Jokl, M.L., Vitek V. and McMahon, Jr. C.J., Acta Metall., 28 (1980) 147.
5. Kroupa, F., In Pokluda, J. and Staněk, P. (Eds.) Prediction of Mechanical Properties of Metallic Materials by Means of Structural Characteristics. VÚ070 Brno, 1981, p. 32.
6. Thomson, R., Solid State Phys., 39 (1986) 1.
7. Huang, H. and Gerberich, W.W., Acta Metall. Mat., 40 (1992) 2873.
8. Kelly, A., Tyson, W.R. and Cottrell, A.H., Philos. Mag., 15 (1967) 567.
9. Pokluda, J. and Šandera, P., Phys. Stat. Solidi., 167b (1991) 543.
10. Pokluda, J. and Šandera, P., Key Eng. Mater., 97-98 (1994) 467.
11. Bahr, D.F., Kramer, D.E. and Gerberich W.W., Acta Mater., 46 (1998) 3605.
12. Woodcock, C.L. and Bahr, D.F., Scripta Mater., 43 (2000) 783.
13. Gouldstone, A., Koh, H.J., Zeng, K.Y., Giannakopoulos, A.E. and Suresh, S., Acta Mater., 48 (2000) 2277.
14. delaFuente, O.R., Zimmerman, J.A., Gonzales, M.A., delaFiguera, J., Hamilton, J.C., Pai, W.W. and Rojo, J.M., Phys. Rev. Lett., 88 (2002) 036101.
15. Goldschmidt, D., In Coutsouradis, D. et al. (Eds.) Materials for Advanced Power Engineering 1994, Part I. Dordrecht, Kluwer Academic Publishers, 1994, p. 661.
16. Wallace, D.C. (Ed.) Thermodynamics of Crystals. New York: John Wiley & Sons, 1972.
17. Wang, J., Li, J., Yip, S., Phillpot, S.R. and Wolf, D., Phys. Rev., B52 (1995) 627.
18. Zhou, Z. and Joós, B., Phys. Rev., B54 (1996) 3841.
19. Yip, S., Li, J., Tang, M. and Wang, J., Mater. Sci. Eng., A317 (2001) 236.
20. Hill, R. and Milstein, F., Phys. Rev., B15 (1977) 3087.
21. Milstein F. and Rasky, D.J., Phys. Rev., B54 (1996) 7016.
22. Morris, J.W. and Krenn, C.R., Philos. Mag., A80 (2000) 2827.
23. Li, W. and Wang, T., Phys. Rev., B59 (1999) 3993.
24. Černý, M., Šob, M., Pokluda, J. and Šandera, P., J. Phys. Cond. Mater., 16 (2004) 1045.
25. Craievich, P.J., Weinert, M., Sanchez, J.M. and Watson, R.E., Phys. Rev. Lett., 72 (1994) 3076.
26. Šob, M., Wang, L.G. and Vitek, V., Comp. Mater. Sci., 8 (1997) 100.
27. Paidar, V., Wang, L.G., Šob, M. and Vitek, V., Model. Simul. Mat. Sci., 7 (1999) 369.
28. Šob, M., Friák, M., Wang, L.G. and Vitek V., In Bulatov, V.V., Diaz de la Rubia, T., Phillips, R., Kaxiras, E. and Ghoniem, N. (Eds.) Multiscale Modelling of Materials, Mat. Res. Soc. Symp. Proc, Vol. 538, Warrendale, PA: Materials Reseach Society, 1999, pp. 523-527.
29. Šob, M., Friák, M., Legut, D. and Vitek V., In: 3rd Int. Alloy Conf. An Interdisciplinary Approach to the Science of Alloys in Metals, Minerals, eds. P.E.A. Turchi and A. Gonis, Estoril/Cascais, Portugal, June 30-July 5, 2002 (accepted in Mater. Sci. Eng. A).
30. Šob, M., Friák, M., Legut, D. and Vitek V., In: 3rd Int. Alloy Conf. An Interdisciplinary Approach to the Science of Alloys in Metals, Minerals, eds. P.E.A. Turchi and A. Gonis, Estoril/Cascais, Portugal, June 30-July 5, 2002 (accepted in Mater. Sci. Eng. A).
31. Shibutani, Y., Krasko, G.L., Šob, M. and Yip, S., Mater. Sci. Res. Int., 5 (1999) 225.
32. Ma, Y., Tse, J. and Sand Klug, D.D., Phys. Rev., B67 (2003) 140301.
33. Clatterbuck, D.M., Krenn, C.R., Cohen, M.L. and Morris, Jr. J.W., Phys. Rev. Lett., 91 (2003) 135501.
34. van Vliet, K.J., Li, J., Zhu, T., Yip, S. and Suresh, S., Phys. Rev., B67 (2003) 104105.
35. Li, W. and Wang, T., J. Phys. Cond. Mat., 10 (1998) 9889.
36. Luo, W., Roundy, D., Cohen, M.L. and Morris, Jr., J.W, Phys. Rev., B66 (2002) 094110.
37. Clatterbuck, D.M., Chrzan, D.C. and Morris, J.W. Jr., Acta Mater., 51 (2003) 2271.
38. Frenkel J., Z. Phys., 37 (1926) 572.
39. Orowan E., Rep. Progr. Phys., 12 (1949) 185.
40. Kelly A., Strong Solids, Oxford: Clarendon Press, 1973.
41. Sandera, P. and Pokluda, J., Scr. Metall. Mat., 29 (1993) 1445.
42. Macmillan, N.H., In Latanision, R.M. and Pickens, J.R. (Eds.) "Atomistics of Fracture", Plenum Press, New York, 1983, p. 95.
43. Paxton, A.T., Gumbsch, P. and Methfessel, M., Philos. Mag. Lett., 63 (1991) 267.
44. Šandera, P. and Pokluda, J., Metall. Mat., 32 (1994) 180.
45. Finnis, M.W. and Sinclair, J.E., Philos. Mag., A50 (1984) 45.
46. Daw, M.S. and Baskes, M.I., Phys. Rev., B29 (1984) 6443.
47. Luzzi, D.E., Yan, M., Šob, M. and Vitek, V., Phys. Rev. Lett., 67 (1991) 1894.
48. Chantasiriwan, S. and Milstein, F., Phys. Rev., B67 (1996) 14081.
49. Hohenberg, P. and Kohn, W., Phys. Rev., 136 (1964) B864.
50. Kohn, W., Sham, L.J. and Phys. Rev., 140 (1965) A1133.
51. Singh, D.J., Planewaves, Pseudopotentials and the LAPW Method, Boston, Dordrecht, London: Kluwer Academic Publishers, 1994.
52. Blaha, P., Schwarz, K. and Luitz, J., A Full Potential Linearized Augmented Plane Wave Package for Calculating Crystal Properties, Vienna: Vienna University of Technology, 1997.
53. Turek, I., Drchal, V., Kudrnovský, J., Šob, M. and Weinberger P., Electronic Structure of Disordered Alloys, Surfaces and Interfaces, Boston: Kluwer Academic Publishers, 1997.
54. Springborg, M., Methods of Electronic-Structure Calculations, Chichester: Wiley, 2000.
55. Esposito, E., Carlson, A.E., Ling, B.D., Ehrenreich, H. and Gelatt, Jr., C.D., Philos. Mag., A41 (1980) 251.
56. Price, D.L., Cooper, B.R. and Wills, J.M., Phys. Rev., B46 (1992) 11368.
57. Šob, M., Wang, L.G. and Vitek, V., Mater. Sci. Eng., A234-236 (1997) 1075.
58. Šob, M., Wang, L.G. and Vitek, V, Metall. Mat., 36 (1998) 145.
59. Kitagawa, H. and Ogata, S., Key Eng. Mat., 161-163 (1999) 443.
60. Ogata, S. and Kitagawa, H., Comput. Mat. Sci., 15 (1999) 435.
61. Telling, R.H., Pickard, C.J., Payne, M.C. and Field, J.E., Phys. Rev. Lett., 84 (2000) 5160.
62. Roundy, D. and Cohen, M.L., Phys. Rev., B64 (2001) 212103.
63. Ogata, S., Hirosaki, N., Kocer, C. and Kitagawa, H., Phys. Rev., B64 (2001) 172102.
64. Ogata, S., Hirosaki, N., Kocer, C. and Shibutani, Y., J. Mat. Res., 18 (2003) 1168.
65. Kocer, C. Hirosaki, N. and Ogata, S., Phys. Rev., B67 (2003) 035210.
66. Friák, M., Šob, M. and Vitek, V., In: Juniormat'01, Institute of Materials Engineering, Brno: Brno University of Technology, 2001, pp. 117-120.
67. Friák, M., Šob, M. and Vitek, V., Philos. Mag., A83 (2003) 3529.
68. Xu, W. and Moriarty, J.A., Phys. Rev., B54 (1996) 6941.
69. Söderlind, P. and Moriarty, J.A., Phys. Rev., B57 (1998) 10340.
70. Jhi, S.H., Louie, S.G., Cohen, M.L. and Morris, J.W. Jr., Phys. Rev. Lett., 87 (2001) 075503.
71. Umeno, Y. and Kitamura, T., Mater. Sci. Eng., B88 (2002) 79.
72. Ogata, S., Li, J. and Yip, S., Science, 298 (2002) 807.
73. Galli, G., Gygi, F. and Catellani, A., Phys. Rev. Lett., 82 (1999) 3476.
74. Ribeiro, F.J., Roundy, D.J. and Cohen, M.L., Phys. Rev., B65 (2002) 153401.
75. Kohyama, M., Mater. Sci. Forum 294-296 (1999) 657.
76. Kitamura, T. and Umeno, Y., Model. Simul. Mat. Sci. Eng., 11 (2003) 127.
77. Batirev, I.G., Alavi, A., Finnis, M.W. and Deutsch, T., Phys. Rev. Lett., 82 (1999) 1510.
78. Tanaka, S., Yang, R. and Kohyama, M., to be published in Proc. Int. Symp. on Micro-Mech. Eng., -Heat Transfer, Fluid Dynamics, Reliability and Mechanotronics (ISMME2003, Tsuchiura and Tsukuba, Japan, Dec. 1-3, 2003), The Japan Soc. Mech., Tokyo, 2003, B26-053.
79. Roundy, D., Krenn, C.R., Cohen, M.L. and Morris, J.W. Jr., Phys. Rev. Lett., 82 (1999) 2713.
80. Roundy, D., Krenn, C.R., Morris, J.W. Jr. and Cohen, M.L., Mat. Sci. Eng., A317 (2001) 44.
81. Roundy, D., Krenn, C.R., Morris, J.W. Jr. and Cohen, M.L., Mat. Sci. Eng., A319-321 (2001) 111.
82. Roundy, D., Krenn, C.R., Cohen, M.L. and Morris, J.W. Jr., Philos. Mag., A81 (2001) 1725.
83. Šandera, P., Pokluda, J., Wang, L.G. and Šob, M., Mater. Sci. Eng., A234-236 (1997) 370.
84. Černý, M., Šandera, P. and Pokluda, J., Czech. J. Phys., B49 (1999) 1495.
85. Černý, M., Pokluda, J., Šandera, P. and Šob, M., Phys. Rev., B67 (2003) 035116.
86. Son, Y. and Yang, R., Phys. Rev., B59 (1999) 14220.
87. Yan, M., Šob, M., Luzzi, D.E., Vitek, V., Ackland, G.J., Methfessel, M. and Rodriguez, C.O., Phys. Rev., B47 (1993) 5571.
88. Goodwin, L., Needs, R. and Heine, V., Phys. Rev. Lett., 60 (1988) 2050.
89. Huang, Y.M., Spence, J.C.H. and Sankey, O.F., Philos. Mag., 70 (1994) 53.
90. Song, Y., Xu, D.S., Yang, R., Li, D., Wu, W.T. and Guo, Z.X., Mater. Sci. Eng., A260 (1999) 269.
91. Haydock, R., J. Phys., 14C (1981) 3807.
92. Neuber, H., Kerbspannungslehre, Berlin: Springer Verlag, 1958.
93. Pokluda, J., Kroupa, F. and Obdržálek, L., Mechanical Properties and Structure of Solids, Brno: PC Dir, 1994.
94. Černý, M. and Pokluda, J., J. Alloys Comp., 378 (2004) 159.
95. Mikhailovskii, I.M., Poltinin, I.Ya. and Fedorova, L.I., Sov. Phys. Solid State, 23 (1981) 757.
96. Murnaghan, F.D., Finite Deformation of an Elastic Solid, New York: Wiley, 1951.
97. Mehl, J.M., Klein, B.M. and Papaconstantopoulos, D.A., In Westbrook, J.H. and Fleisher, R.L. (Eds.) Intel-metallic Compounds 1, New York: Wiley, 1994.
98. Fast, L., Elastic Properties and Structural Stabilities of Elements and Compounds, Uppsala: Acta Universitatis Upsaliensis, 1998.
99. Söderlind, P., Theoretical Studies of Elastic, Thermal and Structural Properties of Solids, Uppsala: Acta Universitatis Upsaliensis, 1994.
100. Clatterbuck, D.M., Chrzan, D.C. and Morris, Jr., J.W, Philos. Mag. Lett., 82 (2002) 141.
101. Roundy, D., Krenn, D., Cohen, M.L. and Morris, Jr., J.W, Philos. Mag., A81 (2001) 1725.
102. Verma, M.V., Verma, A. and Rathere, R.P.S., Acta Phys. Pol., A93 (1998) 479.
103. Friák, M., Šob, M. and Vitek, V., In: Schneibel, J.H., Hemker, K.J., Noebe, R.D., Hanada, S. and Sauthoff, G. High-Temperature Ordered Intel-metallic Alloys IX, Mater. Res. Soc. Symp. Proc. Vol. 646, Warrendale, PA: Materials Reseach Society, 2001, paper N4.8.