On stress assisted dislocation constriction and cross-slip

Abstract A novel semidiscrete Peierls–Nabarro model is introduced which can be used to study dislocation spreading at more than one slip plane, such as dislocation cross-slip and junctions. The strength of the model, when combined with an atomistic simulation for dislocation core properties, is without suffering from the uncertainties associated with empirical potentials. Therefore, this method is particularly useful in providing insight into alloy design when empirical potentials are not available or not reliable for such multi-element systems. The model is applied to study the external stress assisted dislocation cross-slip and constriction process in two fcc metals, Al and Ag, exhibiting different deformation properties. We find that the screw dislocation in Al can cross-slip spontaneously in contrast with that in Ag, where the screw dislocation splits into two partials that cannot cross-slip without first being constricted. The dislocation response to an external stress is examined in detail. The dislocation constriction energy and the critical stress for cross-slip are determined, and from the latter, we estimate the cross-slip energy barrier for straight screw dislocations.

[1]  Göran Wahnström,et al.  Peierls barriers and stresses for edge dislocations in Pd and Al calculated from first principles , 1998 .

[2]  D. Cockayne,et al.  The measurement of stacking-fault energies of pure face-centred cubic metals , 1971 .

[3]  C. Woodward,et al.  Atomistic simulation of cross-slip processes in model fcc structures , 1999 .

[4]  E. Kaxiras,et al.  SEMIDISCRETE VARIATIONAL PEIERLS FRAMEWORK FOR DISLOCATION CORE PROPERTIES , 1997 .

[5]  F. Barlat,et al.  A simple model for dislocation behavior, strain and strain rate hardening evolution in deforming aluminum alloys , 2002 .

[6]  Hannes Jónsson,et al.  Atomistic Determination of Cross-Slip Pathway and Energetics , 1997 .

[7]  E. Kaxiras,et al.  The Peierls-Nabarro model revisited , 2000 .

[8]  Mark F. Horstemeyer,et al.  A large deformation atomistic study examining crystal orientation effects on the stress–strain relationship , 2002 .

[9]  E. Kaxiras,et al.  Hydrogen-enhanced local plasticity in aluminum: an ab initio study. , 2001, Physical review letters.

[10]  E. Kaxiras,et al.  Generalized-stacking-fault energy surface and dislocation properties of aluminum , 1999, cond-mat/9903440.

[11]  T. Arias,et al.  Iterative minimization techniques for ab initio total energy calculations: molecular dynamics and co , 1992 .

[12]  Efthimios Kaxiras,et al.  Hydrogen-Enhanced Local Plasticity in Aluminum , 2001 .

[13]  Duesbery,et al.  Peierls-Nabarro model of dislocations in silicon with generalized stacking-fault restoring forces. , 1994, Physical review. B, Condensed matter.

[14]  F. Nabarro,et al.  Dislocations in solids , 1979 .

[15]  Hussein M. Zbib,et al.  A multiscale model of plasticity , 2002 .

[16]  Jens Lothe John Price Hirth,et al.  Theory of Dislocations , 1968 .

[17]  Dislocation constriction and cross-slip: An ab initio study , 2002, cond-mat/0202488.

[18]  Frank Reginald Nunes Nabarro,et al.  Mathematical theory of stationary dislocations , 1952 .

[19]  J. H. Westbrook,et al.  Intermetallic compounds : principles and practice , 2002 .

[20]  M. Duesbery Dislocation motion, constriction and cross-slip in fcc metals , 1998 .

[21]  R. M. Broudy,et al.  Dislocations and Mechanical Properties of Crystals. , 1958 .

[22]  David P. Pope,et al.  A theory of the anomalous yield behavior in L12 ordered alloys , 1984 .

[23]  Generalized Stacking Fault Energy Surfaces and Dislocation Properties of Silicon: A First-Principles Theoretical Study , 1996, mtrl-th/9604006.