Abstract
Molecular dynamics (MD) simulations were carried out to investigate how structural arrangement of reinforcements affects the mechanical properties of a nano-composite under transverse loading. The cases studied are rectangular, hexagonal and random arrangements of reinforcements in a matrix. MD simulations of simple 2D LJ model nano-composites indicate hexagonally arranged reinforcements provide better toughness. In contrast, 3D simulations of CNT-aluminium composites suggest that rectangular arrangement is better. The present study also indicates that reinforcing a matrix with nano-fibers may not always increase its mechanical performance, particularly in transverse loading, as it does in the case of macro-composites. We discuss the likely sources of these differences as well as their implications.
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