Origins and implications of temperature-dependent activation energy barriers for dislocation nucleation in face-centered cubic metals

Acta Materialia

Volumn 57, Issue 14, 2009, Pages 4267-4277

  Warner, D H ^a   Curtin, W A ^b  

^a Cornell University   (United States)

^b Brown University   (United States)

Author keywords

Atomistic simulation; Dislocation nucleation; Fracture; Mechanical properties; Molecular dynamics

Indexed keywords

ACTIVATION BARRIERS; ANALYTIC MODELS; ATOMISTIC SIMULATION; ATOMISTIC SIMULATIONS; DISLOCATION EMISSIONS; DISLOCATION NUCLEATION; FACE-CENTERED CUBIC METALS; LOADING RATE; MATERIAL PARAMETER; MATERIAL PROPERTY; MECHANICAL BEHAVIOR; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALE; NUCLEATION PROCESS; PARTIAL DISLOCATIONS; REACTION PROCESS; STACKING FAULT ENERGIES; TEMPERATURE DEPENDENCE; TEMPERATURE DEPENDENT; THERMALLY ACTIVATED EMISSION; THERMALLY ACTIVATED PROCESS;

ALUMINUM; CRACK TIPS; ELASTIC CONSTANTS; ENERGY BARRIERS; MECHANICAL PROPERTIES; MOLECULAR DYNAMICS; NUCLEATION; REACTION KINETICS; STRESSES; TEMPERATURE DISTRIBUTION; VIBRATIONS (MECHANICAL);

ACTIVATION ENERGY;

EID: 67650132533     PISSN: 13596454     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.actamat.2009.05.024     Document Type: Article

References (32)

1. Rice J.R., and Thomson R. Ductile versus brittle behavior of crystals. Philos Mag 29 1 (1974) 73-97
2. Shan Z.W., Mishra R.K., Syed Asif S.A., Warren O.L., and Minor A.M. Mechanical annealing and source-limited deformation in submicrometre-diameter nicrystals. Nat Mater 7 2 (2008) 115-119
3. Budrovic Z., Van Swygenhoven H., Derlet P.M., Van Petegem S., and Schmitt B. Plastic deformation with reversible peak broadening in nanocrystalline nickel. Science 304 5668 (2004) 273-276
4. Rice J. Dislocation nucleation from a crack tip an analysis based on the peierls concept. J Mech Phys Solids 40 2 (1992) 239-271
5. Rice J.R., and Beltz G.E. Activation energy for dislocation nucleation at a crack. J Mech Phys Solids 42 2 (1994) 333-360
6. Tadmor E., and Hai S. A peierls criterion for the onset of deformation twinning at a crack tip. J Mech Phys Solids 51 5 (2003) 765-793
7. Warner D.H., Curtin W.A., and Qu S. Rate dependence of crack-tip processes predicts twinning trends in f.c.c. metals. Nat Mater 6 11 (2007) 876-881
8. Schoeck G. Dislocation emission from crack tips. Philos Mag A: Phys Condens Matter, Defects Mech Prop 63 1 (1991) 111-120
9. Xu G., Argon A.S., and Ortiz M. Critical configurations for dislocation nucleation from crack tips. Philos Mag A: Phys Condens Matter, Struct, Defects Mech Prop 75 2 (1997) 341-367
10. Schoeck G., and Pueschi W. Formation of dislocation loops at crack tips in three dimensions. Philos Mag A: Phys Condens Matter, Defects Mech Prop 64 4 (1991) 931-949
11. Glasstone S., Laidler K.J., and Eyring H. The theory of rate processes (1941), McGraw-Hill, New York
12. Zhu T., Li J., and Yip S. Atomistic study of dislocation loop emission from a crack tip. Phys Rev Lett 93 2 (2004) 025501-025503
13. Zhu T., Li J., Samanta A., Leach A., and Gall K. Temperature and strain-rate dependence of surface dislocation nucleation. Phys Rev Lett 100 2 (2008) 025502
14. Gordon P.A., Neeraj T., and Luton M.J. Atomistic simulation of dislocation nucleation barriers from cracktips in alpha-fe. Modell Simulat Mater Sci Eng 16 4 (2008) 045006 13 pp
15. Jonsson H., Mills G., and Jacobsen K. Classical and quantum dynamics in condensed phase simulations (1998), World Scientific, Singapore
16. Mott N.F. Slip at grain boundaries and grain growth in metals. Proc Phys Soc 60 (1948) 391-394
17. Qu S., Shastry V., Curtin W.A., and Miller R.E. A finite-temperature dynamic coupled atomistic/discrete dislocation method. Modell Simulat Mater Sci Eng 13 7 (2005) 1101-1118
18. Voter A.F. Parallel replica method for dynamics of infrequent events. Phys Rev B 57 22 (1998) R13985-R13988
19. Hess B., Thijsse B.J., and Van der Giessen E. Molecular dynamics study of dislocation nucleation from a crack tip. Phys Rev B (Condens Matter Mater Phys) 71 5 (2005) 054110-054111
20. Knap J., and Sieradzki K. Crack tip dislocation nucleation in fcc solids. Phys Rev Lett 82 8 (1999) 1700
21. Horstemeyer M., Baskes M., and Plimpton S. Computational nanoscale plasticity simulations using embedded atom potentials. Theor Appl Fract Mech 37 1-3 (2001) 49-98
22. Sih G., Paris P., and Irwin G.R. On cracks in rectilinearly anisotropic bodies. Int J Fract Mech 1 3 (1965) 189-203
23. Ercolessi F., and Adams J.B. Interatomic potentials from 1st-principles calculations - the force-matching method. Europhys Lett 26 8 (1994) 583-588
24. Angelo J.E., Moody N.R., and Baskes M.I. Trapping of hydrogen to lattice defects in nickel. Modell Simulat Mater Sci Eng 3 3 (1995) 289-307
25. Zimmerman J.A., Gao H., and Abraham F.F. Generalized stacking fault energies for embedded atom fcc metals. Modell Simulat Mater Sci Eng 8 2 (2000) 103-116
26. Hirth J., and Lothe J. Theory of dislocations (1968), McGraw-Hill, New York
27. Kirkwood J.G. Statistical mechanics of fluid mixtures. J Chem Phys 3 (1935) 300-312
28. Kocks U., Argon A., and Ashby M.F. The thermodynamics and kinetics of slip (1979), Pergamon Press, Oxford
29. Tadmor E., and Bernstein N. A first-principles measure for the twinnability of fcc metals. J Mech Phys Solids 11 (2004) 2507-2519
30. Miller R., Tadmor E.B., Phillips R., and Ortiz M. Quasicontinuum simulation of fracture at the atomic scale. Modell Simulat Mater Sci Eng 6 5 (1998) 607-638
31. Zhou S.J., Carlsson A.E., and Thomson R. Dislocation nucleation and crack stability: lattice Green's-function treatment of cracks in a model hexagonal lattice. Phys Rev B (Condens Matter) 47 13 (1993) 7710-7719
32. Gumbsch P., and Beltz G.E. On the continuum versus atomistic descriptions of dislocation nucleation and cleavage in nickel. Modell Simulat Mater Sci Eng 3 5 (1995) 597-613