Molecular statics simulations are employed using semiempirical interatomic interaction potentials to examine the near crack-tip deformation mechanisms in iron and iron alloy single crystals under pure mode-I loading. The deformation mechanisms are found to be strong functions of the crack orientation. For pure Fe systems, the sensitivity of the overall response is explored by comparing the behavior of a number of recently developed potentials. The competition between ductile and brittle responses is interpreted between the well-known Griffith and Rice criteria, but is found to be lacking in predicting a priori the qualitative failure mechanism near the crack tip. The influence of Ni and Cr additions as ordered substitutional solutes is probed at concentrations up to 9.375 at. pct, and several qualitative differences in crack-tip behavior are observed.
Article PDF
Similar content being viewed by others
Avoid common mistakes on your manuscript.
References
Leslie W. (1972). Metall. Trans. 3: 5-25
Chen Y., Atteridge D., and Gerberich W. (1981). Acta Metall., 29: 1171-85
Gerberich W., Chen Y., Atteridge D., and Johnson T. (1981). Acta Metall., 29: 1187-1201
deCelis B., Argon A., and Yip S. (1983). J. Appl. Phys., 54: 4864-78
Cheung K. and Yip S. (1994). Modelling Simul. Mater. Sci. Eng., 2: 865-92
Shastry V. and Farkas D. (1996). Modelling Simul. Mater. Sci. Eng., 4: 1-21
Ackland G.J., Bacon D.J., Calder A.F., and Harry T. (1997). Phil. Mag. A, 75: 713-32
Ackland G.J., Mendelev M., Srolovitz D.J., and Barashev A. (2004). J. Phys. Condens. Matter, 16: S2629-S2642
Mendelev M.I., Han S., Srolovitz D.J., Ackland G.J., Sun D.Y., and Asta M. (2003). Phil. Mag., 83: 3977-94
G. Sih and H. Liebowitz: Fracture, Academic Press, New York, NY, 1968, vol. 2, pp. 108-30.
Hoagland R. (1997). Phil. Mag. A, 76: 543-63
Cleri F., Yip S., Wolf D., and Philpot S.R. (1997). Phys. Rev. Lett., 79: 1309-12
Simonelli G., Pasianot R., and Savino E. (1993). Mater. Res. Soc. Symp. Proc., 291: 567-72
Voter A.F. and Chen S. (1986). Mater. Res. Soc. Symp. Proc., 82: 175-80
Farkas D., Roquueta D., Vilette A., and Ternes K. (1996). Modelling Simul. Mater. Sci. Eng., 4: 359-69
Vailhe C. and Farkas D. (1998). Mater. Sci. Eng., A, 258: 26-31
Rice J.R. (1992). J. Mech. Phys. Solids, 40: 239-71
Farkas D., Zhou S.J., Vailhe C., Mutasa B., and Panova J. (1997). J. Mater. Res., 12: 93-99
Li J. (2003). Modelling Simul. Mater. Sci. Eng., 11: 173-77
Gumbsch P. and Cannon R.M. (2000). MRS Bull., 25: 15-20
Paskin A., Som D.K., and Dienes G.J. (1981). J. Phys. C . Solid State Phys., 14: L171-L176
D. Farkas, M. Mehl, and D. Papaconstantolpoulos: Materials Research Society Symp. Proc., 2001, vol. 653, pp. Z6.4.1-Z6.4.6.
N. Bernstein and D. Hess: Phys. Rev. Lett., 2003, vol. 91, pp. 022501-1-022501-4.
Knap J. and Sieradzki K. (1999). Phys. Rev. Lett., 82: 1700-03
Zhou S., Carlsson A., and Thomson R. (1994). Phys. Rev. Lett., 72: 852-55
Sun Y., Beltz G.E., and Rice J. (1993). Mater. Sci. Eng., A, 170: 67-85
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Gordon, P.A., Neeraj, T., Luton, M.J. et al. Crack-Tip Deformation Mechanisms in α-Fe and Binary Fe Alloys: An Atomistic Study on Single Crystals. Metall Mater Trans A 38, 2191–2202 (2007). https://doi.org/10.1007/s11661-007-9176-8
Published:
Issue Date:
DOI: https://doi.org/10.1007/s11661-007-9176-8