Elastic behavior of amorphous-crystalline silicon nanocomposite: An atomistic view

S Das and A Dutta, PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, 85, 180-184 (2017).

DOI: 10.1016/j.physe.2016.08.033

In the context of mechanical properties, nanocomposites with homogeneous chemical composition throughout the matrix and the dispersed phase are of particular interest. In this study, the elastic moduli of amorphous- crystalline silicon nanocomposite have been estimated using atomistic simulations. A comparison with the theoretical model reveals that the elastic behavior is significantly influenced by the crystal-amorphous interphase. On observing the effect of volume-fraction of the crystalline phase, an anomalous trend for the bulk modulus is obtained. This phenomenon is attributed to the relaxation displacements of the amorphous atoms. (C) 2016 Elsevier B.V. All rights reserved.

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