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Pressure Induced Structural Transformations in Nanocluster Assembled Gallium Arsenide

Published online by Cambridge University Press:  09 August 2011

S. Kodiyalam ,
A. Chatterjee ,
I. Ebbsjö ,
R. K. Kalia ,
H. Kikuchi ,
A. Nakano ,
J. P. Rino  and
P. Vashishta
S. Kodiyalam
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics and Astronomy and Dept. of Computer Science, Louisiana State University
A. Chatterjee
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics and Astronomy and Dept. of Computer Science, Louisiana State University
I. Ebbsjö
Affiliation:
Studsvik Neutron Research Laboratory, SWEDEN.
R. K. Kalia
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics and Astronomy and Dept. of Computer Science, Louisiana State University
H. Kikuchi
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics and Astronomy and Dept. of Computer Science, Louisiana State University
A. Nakano
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics and Astronomy and Dept. of Computer Science, Louisiana State University
J. P. Rino
Affiliation:
Universidade Federal de São Carlos, BRAZIL.
P. Vashishta
Affiliation:
Concurrent Computing Laboratory for Materials Simulations, Dept. of Physics and Astronomy and Dept. of Computer Science, Louisiana State University
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Abstract

Pressure induced structural phase transformation in nanocluster assembled GaAs is studied using parallel molecular dynamics simulations in the isothermal-isobaric ensemble. In this system the spatial stress distribution is found to be inhomogeneous. As a result structural transformation initiates in the high stress regions at the interface between clusters. Structural and dynamical correlations in the nanophase system are characterized by calculating the spatially resolved bond angle and pair distribution functions and phonon density of states and comparing them with those for a single cluster and bulk crystalline and amorphous systems.

Information

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 536: Symposium F – Microcrystalline & Nanocrystalline Semiconductors - 1998 , 1998 , 545
Copyright
Copyright © Materials Research Society 1999

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