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Characterizing interface dislocations by atomically informed Frank-Bilby theory

Published online by Cambridge University Press:  24 April 2013

Jian Wang ,
Ruifeng Zhang ,
Caizhi Zhou ,
Irene J. Beyerlein  and
Amit Misra
Jian Wang*
Affiliation:
Materials Science and Technology Division, Los Alamos National Laboratory, Los Alamos, New Mexico87545
Ruifeng Zhang
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico87545
Caizhi Zhou
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico87545
Irene J. Beyerlein
Affiliation:
Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico87545
Amit Misra
Affiliation:
Materials Physics & Applications, The Center for Integrated Nanotechnologies, Los Alamos National Laboratory, Los Alamos, New Mexico87545
*
a)Address all correspondence to this author. e-mail: wangj6@lanl.gov
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Abstract

Semicoherent interfaces containing discrete dislocations are more energetically favorable than those containing continuous distributions because of lower chemical energy. The classical Frank-Bilby theory provided a way to determine the interface Burgers vectors content but could not effectively predict the characteristics of discrete dislocations. Atomistic simulations provide insights into analyzing the characteristics of discrete dislocations but the analysis is often disturbed by the reaction of interface dislocations. By combining the classical Frank-Bilby theory and atomistic simulations, an atomically informed Frank-Bilby theory proposed in this work can overcome shortcomings in both the classic Frank-Bilby theory and atomistic simulations, and enable quantitative analysis of interface dislocations. The proposed method has been demonstrated via studying two typical dissimilar metallic interfaces. The results showed that Burgers vectors of interface dislocations can be well defined in a Commensurate/Coherent Dichromatic Pattern (CDP) and the Rotation CDP (RCDP) lattices. Most importantly, the CDP and RCDP lattices are not simply a geometric average of the two natural lattices, that is the lattice misfit and the relative twist take the nonequal partition of the misfit strain and the twist angle.

Keywords

interfacedislocationFrank-Bilbyatomistic simulation
Type
Reviews
Information
Journal of Materials Research , Volume 28 , Issue 13: FOCUS ISSUE: Frontiers in Thin-Film Epitaxy and Nanostructured Materials , 14 July 2013 , pp. 1646 - 1657
Copyright
Copyright © Materials Research Society 2013 

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