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Atomistic simulations of dislocations and defects

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Journal of Computer-Aided Materials Design

Abstract

This paper reviews selected recent research on the atomistic simulation of dislocation and defect properties of materials relevant to the multiscale modeling of plasticity and strength, with special emphasis on bcc metals and including work at extreme conditions. Current topics discussed include elasticity and ideal strength, dislocation structure and mobility, grain boundaries, point defects, and rapid resolidification, as well as noteworthy examples of research that directly impacts the issue of linking of length and/or time scales, as required in multiscale materials modeling. The work reviewed has been inspired by the recent international Workshop on Multiscale Modeling of Materials Strength and Failure held in October 2001 at Bodega Bay, California.

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References

  1. Bulatov, V.V., J. of Computer-Aided Mater. Design, (2003), this issue.

  2. Becker, R. and Stolken, J., J. of Computer-Aided Mater. Design, (2003), this issue.

  3. See, for example, Mailhoit, C. and Yip, S. (Eds.) J. of Computer-Aided Mater. Design, 5 (1998), special issue devoted to ASCI materials modeling.

  4. Vitek, V., Crystal Lattice Defects, 5 (1974) 1.

    CAS  Google Scholar 

  5. Duesbery, M.S. and Vitek, V., Acta Mater., 46 (1998) 1481.

    CAS  Google Scholar 

  6. Duesbery, M.S., Proc. R. Soc. Lond., A392 (1984) 175.

    Google Scholar 

  7. Duesbery, M.S. and Basinski, Z.S., Acta Metall. Mater., 41 (1993) 643.

    CAS  Google Scholar 

  8. Xu, W. and Moriarty, J.A., Phys. Rev., B54 (1996) 6941.

    Google Scholar 

  9. Rao, S. and Woodward, C., Philos. Mag., A81 (2001) 1317.

    Google Scholar 

  10. Ismail-Beigi, S. and Arias, T.A., Phys. Rev. Lett., 84 (2000) 1499.

    CAS  Google Scholar 

  11. Woodward, C. and Rao, S.I., Philos. Mag., A81 (2001) 1305.

    Google Scholar 

  12. Yang, L.H., Söderlind, P. and Moriarty, J.A., Philos. Mag., A81 (2001) 1355.

    Google Scholar 

  13. Yang, L.H., Söderlind, P. and Moriarty, J.A., to be published.

  14. Mrovec, M., Ph.D. Thesis, University of Pennsylvania (2002).

  15. Vitek, V., Philos. Mag., (2003), to be published.

  16. Sadigh, B., Cai, W. and Bulatov, V.V., unpublished.

  17. Campbell, G.H., Foiles, S.M., Gumbsch, P., Rühle, M. and King, W.E., Phys. Rev. Lett., 70 (1993) 449.

    CAS  Google Scholar 

  18. Bacia, M., Morillo, J., Pénisson, J.-M. and Pontikis, V., Philos. Mag., A76 (1997) 945.

    Google Scholar 

  19. Campbell, G.H., Belak, J. and Moriarty, J.A., Acta Mater., 47 (1999) 3977.

    CAS  Google Scholar 

  20. Campbell, G.H., Belak, J. and Moriarty, J.A., Scripta Mater., 43 (2000) 659.

    CAS  Google Scholar 

  21. Ochs, T., Beck, O., Elsässer, C. and Meyer, B., Philos. Mag., A80 (2000) 351.

    Google Scholar 

  22. Ochs, T., Elsässer, C., Mrovec, M., Vítek, V., Belak, J. and Moriarty, J.A., Philos. Mag., A80 (2000) 2405.

    Google Scholar 

  23. Campbell, G.H., Kumar, M., King, W.E., Belak, J., Moriarty, J.A. and Foiles, S.M., Philos. Mag., A82(2002) 1573.

    Google Scholar 

  24. Rao S., Hernandez C., Simmons J., Parthasarathy T. and Woodward C., Philos. Mag., A77 (1998) 231.

    Google Scholar 

  25. Rao, S., Parthasarathy, T.A. and Woodward, C., Philos. Mag., A79 (1999) 1167.

    Google Scholar 

  26. Cai, W., Bulatov, V., Chang, J., Li, J. and Yip, S., Phys. Rev. Lett., 86 (2001) 5727.

    CAS  Google Scholar 

  27. Daw, M. and Baskes, M., Phys. Rev. Lett., 50 (1983) 1285 and Phys. Rev., B29 (1984) 6443; Daw, M., Foiles, S.M. and Baskes, M., Mater. Sci. Rep., 9 (1993) 251.

    CAS  Google Scholar 

  28. Finnis, M.W. and Sinclair, J.E., Philos. Mag., A50 (1984) 45; Ackland, G.J. and Thetford, R., Philos. Mag., A56 (1987) 15; Ackland, G.J. and Vitek, V., Phys. Rev., B41 (1990) 10324.

    Google Scholar 

  29. Moriarty, J.A., Phys. Rev., B38 (1988) 3199.

    Google Scholar 

  30. Carlsson, A., In Seitz, F., Turnbull, D. and Ehrenreich, H. (Eds.) Solid State Physics, Vol 43, Academic Press, New York, NY, 1990, p. 1.

    Google Scholar 

  31. Pettifor, D.G., Phys. Rev. Lett., 63 (1989) 2480.

    CAS  Google Scholar 

  32. Carlsson, A., Phys. Rev., B44 (1991) 6590.

    Google Scholar 

  33. Foiles, S.M., Phys. Rev., B48 (1993) 4287.

    Google Scholar 

  34. Hohenberg, P. and Kohn, W., Phys. Rev., 136 (1964) B864; Kohn, W. and Sham, L., Phys. Rev., 140 (1965) A1133.

    Google Scholar 

  35. Pettifor, D.G., Aoki, M., Gumbsch, P., Horsfield, A.P., Nguyen-Manh, D. and Vitek, V., Mater. Sci. Eng., A192-193 (1995) 24.

    Google Scholar 

  36. Pettifor, D.G., Oleinik, I.I., Nguyen-Manh, D. and Vitek, V., Computational Mater. Sci., 23 (2002) 33.

    CAS  Google Scholar 

  37. Moriarty, J.A., Phys. Rev., B42 (1990) 1609.

    Google Scholar 

  38. Moriarty, J.A., Phys. Rev., B49 (1994) 12431.

    Google Scholar 

  39. Moriarty, J.A., Belak, J.F., Rudd, R.E., Söderlind, P., Streitz, F.H. and. Yang, L.H., J. Phys.: Condens. Matter, 14 (2002) 2825.

    CAS  Google Scholar 

  40. Söderlind, P., Yang, L.H., Moriarty, J.A. and Wills, J.M., Phys. Rev., B61 (2000) 2579.

    Google Scholar 

  41. Woodward, C. and Rao, S.I., Phys. Rev. Lett., 88 (2002) 216402.

    CAS  Google Scholar 

  42. Katahara, K.W., Manghnani, M.H. and Fisher, E.S., J. Phys. F: Metal Phys., 9 (1979) 773.

    CAS  Google Scholar 

  43. Söderlind, P. and Moriarty, J.A., Phys. Rev., B57 (1998) 10340.

    Google Scholar 

  44. Cynn, H. and Yoo, C.-S., to be published.

  45. Greeff, C.W. and Moriarty, J.A., Phys. Rev., B59 (1999) 3427.

    Google Scholar 

  46. Gülseren, O. and Cohen, R.E., Phys. Rev., B65 (2002) 64103.

    Google Scholar 

  47. Orlikowski, D., Söderlind, P. and Moriarty, J.A., to be published.

  48. Born, M., Proc. Cambridge Philos. Soc., 36 (1940) 160.

    Article  CAS  Google Scholar 

  49. Hill, R., Math. Proc. Camb. Philos. Soc., 77 (1975) 225.

    Google Scholar 

  50. Hill, R. and Milstein, F., Phys. Rev., B15 (1977) 3087.

    Google Scholar 

  51. Kelly, A. and Macmillan, N.H., Strong Solids, Clarendon, Oxford, 1986.

    Google Scholar 

  52. Wallace, D.C., Thermodynamics of Crystals, Wiley, New York, 1972.

    Google Scholar 

  53. Wang, J., Li, J., Yip, S., Phillpot, S. and Wolf, D., Phys. Rev., B52 (1995) 12627.

    Google Scholar 

  54. Morris Jr., J.W. and Krenn, C.R., Philos. Mag., A80 (2000) 2827.

    Google Scholar 

  55. Li, J., Ph.D. Thesis, MIT, 2000.

  56. Paxton, A.T., Gumbsch, P. and Methfessel, M., Philos. Mag. Lett., 63 (1991) 267.

    CAS  Google Scholar 

  57. Morris Jr., J.W., Krenn, C.R., Roundy, D. and Cohen, M.L., In Turchi, P.E. and Gonis, A. (Eds.) Phase Transformations and Evolution in Materials, TMS, Warrendale, PA, 2000, p. 187.

    Google Scholar 

  58. Roundy, D., Krenn, C.R., Cohen, M.L. and Morris Jr., J.W., Philos. Mag., A81 (2001) 1725.

    Google Scholar 

  59. Ito, K. and Vitek, V., Philos. Mag., A81 (2001) 1387.

    Google Scholar 

  60. Vitek, V., Perrin, R.C. and Bowen, D.K., Philos. Mag. A21 (1970) 1049.

    Google Scholar 

  61. Basinski, Z.S., Duesbery, M.S. and Taylor, R., Can. J. Phys., 49 (1971) 2160.

    CAS  Google Scholar 

  62. Cai, W., Ph.D. Thesis, MIT (2001).

  63. Yamaguchi, M. and Vitek, V., J. Phys. F: Metal Phys., 3 (1973) 523.

    Google Scholar 

  64. Duesbery, M.S., Acta Metall., 31 (1983) 1747 and 1759.

    CAS  Google Scholar 

  65. Xu, W. and Moriarty, J.A., Comput. Mater. Sci., 9 (1998) 348.

    CAS  Google Scholar 

  66. Duesbery, M.S., private communication.

  67. Seeger, A. and Hollang, L., Materials Transactions JIM, 41 (2000) 141; Hollang, L., Hommel, M. and Seeger, A., Phys. Stat. Sol., (a) 160, (1997) 329.

    CAS  Google Scholar 

  68. Tang M., Kubin, L.P. and Canova, G.R., Acta Mater., 46 (1998) 3221; Tang, M., private communicaton.

    CAS  Google Scholar 

  69. Yang, L.H., Tang, M. and Moriarty, J.A., Mat. Res. Soc. Symp. Proc., 653 (2001) Z1.2.1.

    Google Scholar 

  70. Edagawa, K., Suzuki, T. and Takeuchi, S., Phys. Rev., B55 (1997) 6180.

    Google Scholar 

  71. Christian, J.W., Metall. Trans., A14 (1983) 1237.

    Google Scholar 

  72. Vitek, V., In Lorretto, M. (Ed.)Dislocations and Properties of Real Materials, The Institute of Metals, London, 1985, p. 30.

    Google Scholar 

  73. Duesbery, M.S., In Nabarro, F.R.N. (Ed.) Dislocations in Solids, Vol. 8, North Holland, Amsterdam, 1989, p. 67.

  74. Duesbery, M.S. and Richardson, G.Y., CRC Critical Reviews in Solid State and Materials Science, 17 (1991) 1.

    CAS  Google Scholar 

  75. Vitek, V., Prog. Mater. Sci., 36 (1992) 1.

    CAS  Google Scholar 

  76. Susuki, T., Kamimura, Y. and Kirchner, H.O.K., Philos. Mag., A79 (1999) 1629 and references therein.

    Google Scholar 

  77. Lachenmann, R. and Schultz, H., Scripta Met., 4 (1970) 709.

    Google Scholar 

  78. Duesbery, M.S. and Xu W., Scripta Mater., 39 (1998) 283.

    Google Scholar 

  79. Yang, L.H., private communication.

  80. Bulatov, V.V., Cai, W. and Krenn, C., unpublished.

  81. Duesbery, M.S., Michel and D.J., Joos, B., Phys. Rev., B43 (1991) 5143.

    Google Scholar 

  82. Bulatov, V.V., Yip, S. and Argon, A.S., Philos. Mag., A72 (1995) 453.

    Google Scholar 

  83. Ren, Q., Joos, B. and Duesbery, M.S., Phys. Rev., B52 (1995) 13223.

    Google Scholar 

  84. Koizumi, H., Kamimura, Y. and Suzuki, T., Philos. Mag., A80 (2000) 609.

    Google Scholar 

  85. Chang, J., Bulatov, V. and Yip, S., J. Computer-Aided Mater. Design, 6 (1999) 165.

    CAS  Google Scholar 

  86. Chang, J., Cai, W., Bulatov, V.V. and Yip, S., Mater, Sci. Eng., A309-310 (2001) 160.

    CAS  Google Scholar 

  87. Rodney, D. and Martin, G., Phys. Rev. Lett., 82 (1999) 3272.

    CAS  Google Scholar 

  88. Chang, J, Ph.D. Thesis, MIT (2003), and to be published.

  89. Wolfer, W.G., Phonon Drag on Dislocations at High Pressures, LLNL Report UCRL-ID-136221 (1999).

  90. Bulatov, V.V. and Cai, W., Phys. Rev. Lett., 89 (2002) 115501.

    Google Scholar 

  91. Garratt-Reed, A.J. and Taylor, G., Philos. Mag., A39 (1979) 597.

    Google Scholar 

  92. Lassila, D.H. and Hsiung, L., private communication.

  93. DeHosson, J.T.M., Pestman, B.J. and Vitek, V., In Baker, I., Darolia, R., and Whittenberger, J.D. and Yoo, M.H. (Eds.) High-Temperature Ordered Intermetallic Alloys V, Vol. 288, Materials Research Society, Pittsburgh, 1993, p. 299.

  94. Pestman, B.J., DeHosson, J.T.M., Vitek, V. and Schapink, F.W., J. Phys. France, 51 (1990) C1-311.

    Google Scholar 

  95. Pestman, B.J., DeHosson, J.T.M., Vitek, V. and Schapink, F.W., Philos. Mag., A64 (1991) 951.

    Google Scholar 

  96. Miller, R. and Abraham, F., unpublished and private communication.

  97. de Koning, M., Miller, R., Bulatov, V.V. and Abraham, F., Philos. Mag., A82 (2002) 2511.

    Google Scholar 

  98. Yamakov, V., Wolf, D., Salazar, M., Phillpot, S.R. and Gleiter, H., Acta Mater., 49 (2001) 2713.

    CAS  Google Scholar 

  99. Cottrell, A.H., Dislocations and Plastic Flow in Crystals, Clarendon Press, Oxford, 1961.

    Google Scholar 

  100. Schiotz, J., Di Tolla, F.D. and Jacobsen, K.W., Phys. Rev., B60 (1999) 11971.

    Google Scholar 

  101. Swygenhoven, H.V., Spaczer and M., Caro, A., Acta Mater., 47 (1999) 3117.

    Google Scholar 

  102. Moriarty, J.A., unpublished.

  103. Streitz, F.H. and Moriarty, J.A., to be published.

  104. Moriarty, J.A. and Althoff, J.D., Phys. Rev., B51 (1995) 5609.

    Google Scholar 

  105. Yesilletn, D. and Arias, T.A., Phys. Rev., B64 (2001) 174101.

    Google Scholar 

  106. Bulatov, V.V., Justo, J.F., Cai, W. and Yip, S., Phys. Rev. Lett., 79 (1997) 5042.

    CAS  Google Scholar 

  107. Horsfield, A.P., Bratkovsky, A.M., Fearn, M., Pettifor, D.G. and Aoki, M., Phys. Rev., B53 (1996) 12694 and Horsfield, A.P., Bratkovsky, A.M., Pettifor, D.G. and Aoki, M., Phys. Rev., B53 (1996) 1656.

    Google Scholar 

  108. Aoki, M., Horsfield, A.P. and Pettifor, D.G., J Phase Equilib., 18 (1997) 614.

    CAS  Google Scholar 

  109. Bowler, D.R., Aoki, M., Goringe, C.M., Horsfield, A.P. and Pettifor, D.G., Modelling and Simulation in Mater. Sci. Eng., 5 (1997) 199.

    CAS  Google Scholar 

  110. Znam, S., Nguyen-Manh, D., Pettifor, D.G. and Vitek, V., Philos. Mag., A83 (2003) 99.

    Google Scholar 

  111. Pettifor, D.G., J.Phys. F: Metal Phys., 8 (1978) 219.

    CAS  Google Scholar 

  112. Nguyen-Manh, D., Pettifor, D.G., Znam, S. and Vitek, V., In Turchi, P.E.A., Gonis, A. and Colombo, L. (Eds.) Tight-Binding Approach to Computational Materials Science, Vol. 491, Materials Research Society, Pittsburgh, 1998, p. 353.

  113. Lanczos, C., J. Res. Natl. Bur. Stand., 45 (1950) 225.

    Google Scholar 

  114. Pettifor, D.G., Bonding and Structure of Molecules and Solids, Oxford University Press, Oxford, 1995.

    Google Scholar 

  115. Andersen, O.K., Jepsen, O. and Glötzel, D., In Bassani, F., Fumi, F. and Tosi, M.P. (Eds.) Highlights of Condensed Matter Theory, North Holland, Amsterdam 1985, p. 59.

  116. Haas, H., Wang, C.Z., Fähnle, M., Elsässer, C. and Ho, K.M., Phys. Rev., B57, (1998) 1461.

    Google Scholar 

  117. Nguyen-Manh, D., Pettifor, D.G. and Vitek, V., Phys. Rev. Lett., 85 (2000) 4136.

    CAS  Google Scholar 

  118. Paidar, V., Wang, L.G., Sob, M. and Vitek, V., Modelling and Simulation in Mat. Sci. Eng., 7 (1999) 369.

    CAS  Google Scholar 

  119. Mrovec, M., Vitek, V., Nguyen-Manh, D., Pettifor, D.G., Wang, L.G. and Sob, M., In Bulatov, V., Diaz de la Rubia, T., Phillips, R., Kaxiras, E. and Ghoniem, N. (Eds.) Multiscale Modeling of Materials, Vol. 538, Materials Research Society, Pittsburgh, 1999, p. 529.

  120. Mrovec, M., Vitek, V., Nguyen-Manh, D., Pettifor, D.G., Wang, L.G. and Sob, M., In Robertson, I.M., Lassila, D.H., Devincre, B. and Phillips, R. (Eds.) Vol. 578, Materials Research Society, Pittsburgh, 2000, p. 199.

  121. Tang, M., private communication.

  122. Cai, W., de Koning, M., Bulatov, V.V. and Yip, S., Phys. Rev. Lett., 85 (2000) 3213.

    CAS  Google Scholar 

  123. Cai, W., Bulatov, V.V., Yip, S. and Argon, A.S., Mater. Sci. Eng., A309-310 (2001) 270.

    CAS  Google Scholar 

  124. Odette, G.R., Wirth, B.D., Bacon, D.J. and Ghoniem, N.M., MRS Bulletin 26 (2001) 176.

    CAS  Google Scholar 

  125. Wirth, B.D., Caturla, M.J., Diaz de la Rubia, T., Khraishi, T. and Zbib, H., Nuc. Instruments and Methods, B180 (2001) 23.

    Google Scholar 

  126. Caturla, M.J., Soneda, N., Alonso, E., Wirth, B.D., Diaz de la Rubia, T. and M.Perlado, J., J. Nuc. Mat., 276 (2000) 13.

    CAS  Google Scholar 

  127. Wirth, B.D. and Odette, G.R., MRS Symp. Proc., 540 (1999) 637.

    CAS  Google Scholar 

  128. Domain, C., Becquart, C.S. and Van Duysen, J.C., MRS Symp. Proc., 540 (1999) 643.

    CAS  Google Scholar 

  129. Xu, Q., Heinisch, H.L. and Yoshiie, T., J. of Computer-Aided Mater. Design, 6 (1999) 215.

    CAS  Google Scholar 

  130. Bassani, J.L., Ito, K. and Vitek, V., Mat. Sci. Eng., A319 (2001) 97.

    Google Scholar 

  131. Steinberg, D.J., Cochran, S.G., and Guinan, J. Appl. Phys., 51 (1980) 1498.

    CAS  Google Scholar 

  132. Stainier, L., Cuitino, A.M. and Ortiz, M., J. Mech. Phys. Solids, 50 (2002) 1511.

    CAS  Google Scholar 

  133. Cuitino, A.M., Stainier, L., Wang, G.F., Strachan, A., Cagin, T., Goddard, W.A. and Ortiz, M., J. Computer-Aided Mater. Design, 8 (2001) 127.

    CAS  Google Scholar 

  134. Ohsawa, K. and Kuramoto, E., J. Appl. Phys., 86 (1999) 179.

    CAS  Google Scholar 

  135. Abraham, F.F. and Gao, H., Phys. Rev. Lett., 84 (2000) 3113.

    CAS  Google Scholar 

  136. Carroll, S.J., Nellist, P.D., Palmer, R.E., Hobday, Smith, R., Phys. Rev. Lett., 84 (2000) 2654.

    CAS  Google Scholar 

  137. Gumbsch, P., Zhou, S.J., Holian, B.L., Phys. Rev., B55 (1997) 3445.

    Google Scholar 

  138. Moseler, M., Nordiek, J., Haberland, H., Phys. Rev., B56 (1997) 15439.

    Google Scholar 

  139. Cai, W., Bulatov, V.V. Justo, J.F., Argon, A.S. and Yip, S., Phys. Rev. Lett., 84 (2000) 3346.

    CAS  Google Scholar 

  140. Voter, A.F., J. Chem. Phys., 106 (1997) 4665.

    CAS  Google Scholar 

  141. Voter, A.F., Phys. Rev. Lett., 78 (1997) 3908.

    CAS  Google Scholar 

  142. Sorensen, M.R. and Voter, A.F., J. Chem. Phys., 112 (2000) 9599.

    CAS  Google Scholar 

  143. Voter, A.F., Phys. Rev., B57 (1998) 13985.

    Google Scholar 

  144. Voter, A.F. and Germann, T.C., Mat. Res. Soc. Symp. Proc., 528 (1998) 221.

    CAS  Google Scholar 

  145. Montalenti, F., Sorensen, M.R. and Voter, A.F., Phys. Rev. Lett., 87 (2001) 126101.

    CAS  Google Scholar 

  146. Yakobson, B.I., Brabec, C.J. and Bernholc, J., Phys. Rev. Lett., 76 (1996) 2511.

    CAS  Google Scholar 

  147. Nardelli, M.B., Yakobson, B.I. and Bernholc, J., Phys. Rev. Lett., 81 (1998) 4656.

    CAS  Google Scholar 

  148. Wei, C., Cho, K., and Srivastava, D., Mat. Res. Soc. Symp. Proc., 677 (2001), AA6.5.1

    Google Scholar 

  149. Singh, A.K, Mao, H.-K., Shu, J. and Hemley, R.J., Phys. Rev. Lett., 80 (1998) 2157.

    CAS  Google Scholar 

  150. Crowhurst, J.C., Abramson, E.H., Slutsky, L.J., Brown, J.M., Zaug, J.M. and Harrell, M. D., Phys. Rev., B64 (2001) 100103.

    Google Scholar 

  151. Duffy, T.S., Shen, G., Heinz, D.L., Shu, J., Ma, Y., Mao, H.-K., Hemley, R.J. and Singh, A.K., Phys. Rev., B60 (1999) 15063.

    Google Scholar 

  152. Duffy, T.S., Shen, G., Shu, J., Mao H.-K., Hemley, R.J. and Singh, A.K., J., Appl. Phys., 86 (1999) 6729.

    CAS  Google Scholar 

  153. Crowhurst, J.C., private communication.

  154. Sigle, W., Philos. Mag., A79 (1999) 1009.

    Google Scholar 

  155. Balk, T.J. and Hemker, K.J., Philos. Mag., A81 (2001) 1507.

    Google Scholar 

  156. Baluc, N., Karnthaler, H.P. and Mills, M.J., Philos. Mag., A64 (1991) 137.

    Google Scholar 

  157. Mills, M.J. and Stadelmann, P., Philos. Mag., A60 (1989) 355.

    Google Scholar 

  158. Vystavel, T., Penisson, J.M. and Gemperle, A., Philos. Mag., A81 (2001) 417.

    Google Scholar 

  159. Nix, W.D. and Clemens, B.M., private communication.

  160. Lilleodden, E.T., Zimmerman, J.A., Foiles, S.M. and Nix, W.D., Mat. Res. Soc. Symp. Proc., 673 (2001) 1.3.1.

    Google Scholar 

  161. Lilleodden, E.T., Zimmerman, J.A., Foiles, S.M. and Nix, W.D., J. Mech. Phys. Solids, 51 (2003) 901.

    CAS  Google Scholar 

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Authors and Affiliations

  1. Lawrence Livermore National Laboratory, University of California, Livermore, CA, 94551, U.S.A.

    John A. Moriarty & Vasily V. Bulatov

  2. Department of Materials Science and Engineering, University of Pennsylvania, Philadelphia, PA, 19104, U.S.A.

    Vaclav Vitek

  3. Department of Nuclear Engineering, Massachusetts Institute of Technology, Cambridge, MA, 02139, U.S.A.

    Sidney Yip

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  1. John A. Moriarty
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Moriarty, J.A., Vitek, V., Bulatov, V.V. et al. Atomistic simulations of dislocations and defects. Journal of Computer-Aided Materials Design 9, 99–132 (2002). https://doi.org/10.1023/A:1026022602578

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