Work

Minimum energy paths for dislocation nucleation in strained epitaxial layers

Year: 2002

Type: article

Abstract: We study numerically the minimum energy path and energy barriers for dislocation nucleation in a two-dimensional atomistic model of strained epitaxial layers on a substrate with lattice misfit. Stress relaxation processes from coherent to incoherent states for different transition paths are determined using saddle point search based on a combination of repulsive potential minimization and the Nudged Elastic Band method. The minimum energy barrier leading to a final state with a single misfit dislocation nucleation is determined. A strong tensile-compressive asymmetry is observed. This asymmetry can be understood in terms of the qualitatively different transition paths for the tensile and compressive strains.

Source: Physical review. B, Condensed matter

DOI: 10.1103/physrevb.65.241408

Authors: O. Trushin, E. Granato, S. C. Ying, P. Salo, T. Ala-Nissila

Institutions: Russian Academy of Sciences, Helsinki Institute of Physics, Brown University, Instituto Nacional de Pesquisas Espaciais

Language: English

Topic: Microstructure and mechanical properties

Subfield: Materials Chemistry

Field: Materials Science

Domain: Physical Sciences

Open Access status: green

OpenAlex ID: W2045259686

FWCI: 1.183

Cites: 18

Cited by: 15

Related to: 10