Existence of dilute copper-carbon solid solutions is one of the characteris
tic features of the interfaces of the metal matrix composites widely used i
n the electrical applications. Experimental high-resolution SEM study allow
s to visualize the formation of the interaction zone on carbon fibre. We mo
del interstitial solid solutions formed in this interaction zone non-empiri
cally within the embedded-cluster and supercell approaches. Atomistic appro
ach allows selection of the geometry of the solid solution. Electronic stru
cture studies show that the most favourable position of the carbon atom is
shifted along the [110] direction from the centre of the octahedral positio
n. Investigation of this physical phenomenon allows us to understand the na
ture of the chemical bonding in copper-based solid solutions with carbon. (
C) 1999 Elsevier Science S.A. All rights reserved.