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Structure and Properties of Strained Crystalline Multilayers

Published online by Cambridge University Press:  15 February 2011

J. Hoekstra ,
H. Yan ,
G. Kalonji  and
H. Jonsson
J. Hoekstra
Affiliation:
Department of Materials Science and Engineering, FB- 10
H. Yan
Affiliation:
Department of Materials Science and Engineering, FB- 10
G. Kalonji
Affiliation:
Department of Materials Science and Engineering, FB- 10
H. Jonsson
Affiliation:
Department of Chemistry, BG-10University of Washington, Seattle, Washington 98195, U.S.A.
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Abstract

We present a computer simulation study of thin crystalline multilayers constructed from two FCC solids with differing lattice constants and binding energies. Both materials are described by Lennard-Jones interatomic potentials and initially have the same orientation and coherent interfaces. We have studied systems in which interfaces are perpendicular to the common [100] and [111] directions, respectively. A novel technique for analyzing local atomic ordering, Common Neighbor Analysis, is used to identify structural characteristics in these systems. We have found several structural changes in the layers of smaller atoms, including an FCC to HCP transition. In a system with (111) texture, a coherent interface to incoherent interface transformation is observed. Calculations of elastic constants of these multilayer structures show that elastic anomalies are associated with the structural variations.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 351: Symposium V – Molecularly Designed Ultrafine/Nanostructured Materials , 1994 , 349
Copyright
Copyright © Materials Research Society 1994

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References

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