In this paper, both the tensile deformation behaviors and mechanical properties of in situ ZrB 2 nanoparticles reinforced AA6016 matrix composites are investigated with finite element analysis. For the modeling, the volume fraction of nano ZrB 2 particles is defined by combining cluster sizes with particulate agglomerated degree which was observed in the agglomeration clustered regions by experiments. The effects of clusters on the mechanical behaviors of composites are disclosed according to qualify mechanical behaviors of local particulate agglomeration. The results indicate that finite element analysis is performed to predict the Young's modulus of composites, which is in good agreement with the experimental results. In addition, the speed of stress concentration is faster when the agglomerated degree elevates, which minimizes elongation of composites under the same particle volume fraction. Likewise, under the same agglomerated degree, the higher particle volume fraction of composites triggers the reduction of elongation.