# Dislocation core-core interaction and Peierls stress in a model hexagonal lattice

## Abstract

A series of atomistic calculations is performed in order to explore dislocation core-core interactions and the Peierls stress in a model hexagonal lattice. The method of calculation is the lattice Green`s function method, using several pair potentials with variable parameters. We confirm that dislocation cores broaden as a pair of dislocations with opposite sign move closer to each other. Continuum theories are surprisingly accurate in describing the dislocation-dislocation interaction force even in the range of strong core-core overlap. However, our atomistic calculations show that while the relation between the Peierls stress and dislocation width is exponential as the Peierls-Nabarro model predicts, that model underestimates the Peierls stress by nearly a factor of 10{sup 4}.

- Authors:

- Department of Physics, Washington University, St. Louis, Missouri 63130 (United States)
- Materials Science and Engineering Laboratory, National Institute of Standards and Technology, Gaithersburg, Maryland 20899 (United States)

- Publication Date:

- OSTI Identifier:
- 142605

- DOE Contract Number:
- FG02-84ER45130

- Resource Type:
- Journal Article

- Journal Name:
- Physical Review, B: Condensed Matter

- Additional Journal Information:
- Journal Volume: 49; Journal Issue: 10; Other Information: PBD: 1 Mar 1994

- Country of Publication:
- United States

- Language:
- English

- Subject:
- 66 PHYSICS; DISLOCATIONS; INTERACTIONS; CRYSTAL DEFECTS; HEXAGONAL LATTICES; PEIERLS-NABARRO FORCE; GREEN FUNCTION; STRESSES; COMPUTER CALCULATIONS

### Citation Formats

```
Zhou, S.J., Carlsson, A.E., and Thomson, R..
```*Dislocation core-core interaction and Peierls stress in a model hexagonal lattice*. United States: N. p., 1994.
Web. doi:10.1103/PhysRevB.49.6451.

```
Zhou, S.J., Carlsson, A.E., & Thomson, R..
```*Dislocation core-core interaction and Peierls stress in a model hexagonal lattice*. United States. doi:10.1103/PhysRevB.49.6451.

```
Zhou, S.J., Carlsson, A.E., and Thomson, R.. Tue .
"Dislocation core-core interaction and Peierls stress in a model hexagonal lattice". United States. doi:10.1103/PhysRevB.49.6451.
```

```
@article{osti_142605,
```

title = {Dislocation core-core interaction and Peierls stress in a model hexagonal lattice},

author = {Zhou, S.J. and Carlsson, A.E. and Thomson, R.},

abstractNote = {A series of atomistic calculations is performed in order to explore dislocation core-core interactions and the Peierls stress in a model hexagonal lattice. The method of calculation is the lattice Green`s function method, using several pair potentials with variable parameters. We confirm that dislocation cores broaden as a pair of dislocations with opposite sign move closer to each other. Continuum theories are surprisingly accurate in describing the dislocation-dislocation interaction force even in the range of strong core-core overlap. However, our atomistic calculations show that while the relation between the Peierls stress and dislocation width is exponential as the Peierls-Nabarro model predicts, that model underestimates the Peierls stress by nearly a factor of 10{sup 4}.},

doi = {10.1103/PhysRevB.49.6451},

journal = {Physical Review, B: Condensed Matter},

number = 10,

volume = 49,

place = {United States},

year = {1994},

month = {3}

}