Hostname: page-component-78c5997874-v9fdk Total loading time: 0 Render date: 2024-11-07T11:52:45.366Z Has data issue: false hasContentIssue false
  • English
  • Français

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
Get access

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.

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

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Alivisatos, A.P., MRS Bulletin, February 1998, pp. 18–23, and references therein.Google Scholar
2. Besson, J.W., Itie, J.P., Polian, A., Weil, G., Mansot, J.L., and Gonzalez, J., Phys. Rev. B 44, p. 4214 (1991).Google Scholar
3. Parrinello, M. and Rahman, A., J.Appl.Phys. 52, p. 7182 (1981).Google Scholar
4. Tuckerman, M., Berne, B.J., and Martyna, G.J., J.Chem.Phys. 97, p. 1990 (1992).Google Scholar
5. Martyna, G.J., Tuckerman, M.E., Tobias, D.J., and Klein, M.L., Mol.Phys. 87, p. 1117 (1996).Google Scholar
6. Rapaport, D.C., Comput.Phys.Commun. 62, p. 217 (1991).Google Scholar