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Structural Trends in Amorphous Carbon

Published online by Cambridge University Press:  10 February 2011

C. Z. Wang  and
K. M. Ho
C. Z. Wang
Affiliation:
Ames Laboratory and Department of Physics, Iowa State University, Ames, IA 50011
K. M. Ho
Affiliation:
Ames Laboratory and Department of Physics, Iowa State University, Ames, IA 50011
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Abstract

Amorphous carbon (a-C) structures over a wide range of densities are generated by tight-binding molecular dynamics simulations using the recently developed environment-dependent carbon tight-binding potential. Our simulation results show that the relative concentration of the sp2 and sp3 bondings in the a-C samples changes systematically with the density of the samples. The a-C networks obtained by quenching the low density liquids consist of mostly three-fold coordinated atoms while the diamond-like tetrahedral a-C can be generated by quenching the high density (about 3.0g/cm3) liquid carbon.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 498: Symposium AA – Covalently Bonded Disordered Thin-Film Materials , 1997 , 3
Copyright
Copyright © Materials Research Society 1998

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