Atomistic simulations of cross-slip processes in model fcc structures and L1{sub 0} TiAl
Three dimensional (3D) cross-slipped core structures of a/2[110] screw dislocations in model FCC structures are simulated using lattice statics within the Embedded Atom method (EAM) formalism using potentials fitted to the elastic and structural properties of FCC Ni as well as L1{sub 0}TiAl. 2 and 3-D Green's function (FG) techniques are used to relax the boundary forces in the simulations. The core structure of the constrictions are diffuse. At large separation distances between Shockley partials in the unconstricted configuration, the two constrictions formed by cross-slip onto a cross {l{underscore}brace}111{r{underscore}brace} plane have significantly different energy profiles suggesting that self-stress forces dominate the energetics of the cross-slip process. The variation in cross-slip energy with stacking-fault energy is in reasonable agreement with continuum predictions, excepting at high fault energy values as in L1{sub 0} TiAl. Cross-slip energies estimated for Cu, Ni and {gamma}-TiAl from these calculations show reasonable agreement with experimental data. The cross-slip energy shows a significantly weaker dependence on Escaig stress as compared to elasticity calculations,with the activation volume for the cross-slip process being approximately 20b{sup 3} at an applied Escaig stress of 10{sup {minus}3}{micro} in Cu.
- Research Organization:
- Wright Lab., Wright-Patterson AFB, OH (US)
- Sponsoring Organization:
- US Department of the Air Force
- OSTI ID:
- 20014962
- Resource Relation:
- Conference: Multiscale Modeling of Materials, Boston, MA (US), 11/30/1998--12/03/1998; Other Information: Single article reprints are available through University Microfilms Inc., 300 North Zeeb Rd., Ann Arbor, Michigan 48106 (US); PBD: 1999; Related Information: In: Multiscale modeling of materials. Materials Research Society symposium proceedings: Volume 538, by Bulatov, V.V.; Diaz de la Rubia, T.; Phillips, R.; Kaxiras, E.; Ghoniem, N. [eds.], 607 pages.
- Country of Publication:
- United States
- Language:
- English
Similar Records
Core structure and mobility of [a{l_angle}101] dislocations in L1{sub 0} TiAl
Dislocation mechanisms for deformation twinning in the L1{sub 0} structure