Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations

Details Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations

2000-10-31

arxiv.org/abs/cond-mat/0010503v1

Physics

Condensed Matter

Materials Science

LaTeX 47 pages including 20 figures

Scientific paper

10.1088/0965-0393/9/3/308

Atomistic computations of the Peierls stress in fcc metals are relatively scarce. By way of contrast, there are many more atomistic computations for bcc metals, as well as mixed discrete-continuum computations of the Peierls-Nabarro type for fcc metals. One of the reasons for this is the low Peierls stresses in fcc metals. Because atomistic computations of the Peierls stress take place in finite simulation cells, image forces caused by boundaries must either be relaxed or corrected for if system size independent results are to be obtained. One of the approaches that has been developed for treating such boundary forces is by computing them directly and subsequently subtracting their effects, as developed by V. B. Shenoy and R. Phillips [Phil. Mag. A, 76 (1997) 367]. That work was primarily analytic, and limited to screw dislocations and special symmetric geometries. We extend that work to edge and mixed dislocations, and to arbitrary two-dimensional geometries, through a numerical finite element computation. We also describe a method for estimating the boundary forces directly on the basis of atomistic calculations. We apply these methods to the numerical measurement of the Peierls stress and lattice resistance curves for a model aluminum (fcc) system using an embedded-atom potential.

Affiliated with

Also associated with

No associations

Rating

Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Lattice Resistance and Peierls Stress in Finite-size Atomistic Dislocation Simulations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-160574