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On the Atomistic Simulation of Plastic Deformation and Fracture in Crystals

Published online by Cambridge University Press:  03 March 2011

Y-L. Shen
Y-L. Shen
Affiliation:
Department of Mechanical Engineering, University of New Mexico, Albuquerque, New Mexico 87131
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Abstract

Tensile stretching of a two-dimensional model crystal was computationally studied using molecular statics simulations. Attention was directed to the atomistics of defect activities throughout the deformation history. It is shown that the incorporation of an initial point defect is able to trigger dislocation slip in a repetitive and controlled manner. The initial defect is also seen to have potential bearing on the formation of voiding damage that leads to ductile fracture of the crystal. Implications to the nanoscale mechanical behavior and its modeling are discussed.

Keywords

Computer simulationDislocationsMechanical properties
Type
Rapid Communications
Information
Journal of Materials Research , Volume 19 , Issue 4 , April 2004 , pp. 973 - 976
Copyright
Copyright © Materials Research Society 2004

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References

REFERENCES

1Kelchner, C.L., Plimpton, S.J. and Hamilton, J.C.: Dislocation nucleation and defect structure during surface indentation. Phys. Rev. B. 58, 11085 (1998).CrossRefGoogle Scholar
2Tadmor, E.B., Miller, R. and Phillips, R.: Nanoindentation and incipient plasticity. J. Mater. Res. 14, 2233 (1999).CrossRefGoogle Scholar
3Van Vliet, K.J., Li, J., Zhu, T., Yip, S. and Suresh, S.: Quantifying the early stages of plasticity through nanoscale experiments and simulations. Phys. Rev. B. 67, 104105 (2003).CrossRefGoogle Scholar
4de Fuente, O. Rodriguez la, Zimmerman, J.A., Gonzalez, M.A., de Figuera, J. la, Hamilton, J.C., Pai, W.W. and Rojo, J.M.: Dislocation emission around nanoindentations on a (001) fcc metal surface studied by scanning tunneling microscopy and atomistic simulations. Phys. Rev. Lett. 88, 036101 (2002).CrossRefGoogle Scholar
5Feichtinger, D., Derlet, P.M. and Van Swygenhoven, H.: Atomistic simulations of spherical indentations in nanocrystalline gold. Phys. Rev. B. 67, 024113 (2003).CrossRefGoogle Scholar
6deCelis, B., Argon, A.S. and Yip, S.: Molecular dynamics simulation of crack tip processes in alpha-iron and copper. J. Appl. Phys. 54, 4864 (1983).CrossRefGoogle Scholar
7Baiguzin, E.Y., Melker, A.I. and Mikhailin, A.I.: Atomic mechanisms of fracture nucleation and fracture development in two-dimensional crystals in thermodynamic equilibrium. I. One-phase systems. Phys. Status Solidi. A. 108, 205 (1988).CrossRefGoogle Scholar
8Doyama, M.: Simulation of plastic deformation of small iron and copper single crystals. Nucl. Instrum. Methods Phys. Res. B. 102, 107 (1995).CrossRefGoogle Scholar
9Zhou, S.J., Beazley, D.M., Lomdahl, P.S. and Holian, B.L.: Large-scale molecular dynamics simulations of three-dimensional ductile failure. Phys. Rev. Lett. 78, 479 (1997).CrossRefGoogle Scholar
10Farkas, D.: Atomistic studies of intrinsic crack-tip plasticity. MRS Bull. 25, 35 (2000).CrossRefGoogle Scholar
11Ortiz, M., Cuitino, A.M., Knap, J. and Koslowski, M.: Mixed atomistic-continuum models of material behavior: The art of transcending atomistics and informing continua. MRS Bull. 26, 216 (2001).CrossRefGoogle Scholar
12Swadener, J.G., Baskes, M.I. and Nastasi, M.: Molecular dynamics simulation of brittle fracture in silicon. Phys. Rev. Lett. 89, 085503 (2002).CrossRefGoogle ScholarPubMed
13Lynden-Bell, R.M.: Computer simulations of fracture at the atomic level. Science. 263, 1704 (1994).CrossRefGoogle ScholarPubMed
14Lynden-Bell, R.M.: A simulation study of induced disorder, failure and fracture of perfect metal crystals under uniaxial tension. J. Phys. Condens. Matter. 7, 4603 (1995).CrossRefGoogle Scholar
15Kitamura, T., Yashiro, K. and Ohtani, R.: Atomic simulation on deformation and fracture of nano-single crystal of nickel in tension, JSME Int. J. Ser. A. 40, 430 (1997).Google Scholar
16Heino, P., Hakkinen, H. and Kaski, K.: Molecular-dynamics study of mechanical properties of copper. Europhys. Lett. 41, 273 (1998).CrossRefGoogle Scholar
17Heino, P., Hakkinen, H. and Kaski, K.: Molecular-dynamics study of copper with defects under strain. Phys. Rev. B. 58, 641 (1998).Google Scholar
18Komanduri, R., Chandrasekaran, N. and Raff, L.M.: Molecular dynamics (MD) simulation of uniaxial tension of some single-crystal cubic metals at nanolevel. Int. J. Mech. Sci. 43, 2237 (2001).CrossRefGoogle Scholar
19Horstemeyer, M.F., Baskes, M.I., Godfrey, A. and Hughes, D.A.: A large deformation atomistic study examining crystal orientation effects on the stress-strain relationship. Inter. J. Plasticity. 18, 203 (2002).CrossRefGoogle Scholar
20Holian, B.L., Voter, A.F., Wagner, N.J., Ravelo, R.J., Chen, S.P., Hoover, W.G., Hoover, C.G., Hammerberg, J.E. and Dontje, T.D.: Effects of pairwise versus many-body forces on high-stress plastic deformation. Phys. Rev. A. 43, 2655 (1991).CrossRefGoogle ScholarPubMed
21Wagner, N.J., Holian, B.L. and Voter, A.F.: Molecular-dynamics simulations of two-dimensional materials at high strain rates. Phys. Rev. A. 45, 8457 (1992).CrossRefGoogle ScholarPubMed
22Phillips, R., Crystals, Defects and Microstructures—Modeling Across Scales (Cambridge University Press, Cambridge, 2001), p. 206CrossRefGoogle Scholar
23Shen, Y-L.: Strength and interface-constrained plasticity in thin metal films. J. Mater. Res. 18, 2281 (2003).CrossRefGoogle Scholar