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“School of Physic”

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Paper   IPM / Physic / 8463
School of Physics
  Title:   Effect of Size on Bulk and Surface Cohesion Energy of Metallic Nano-Particles
  Author(s): 
1.  M.S . Yaghmaee
2.  B. Shokri
  Status:   Published
  Journal: Smart Mater. Struct
  Vol.:  16
  Year:  2007
  Pages:   349-354
  Supported by:  IPM
  Abstract:
The knowledge of nano-material properties not only helps us to understand the extreme behaviour of small-scale materials better (expected to be different from what we observe from their bulk value) but also helps us to analyse and design new advanced functionalized materials through different nano technologies. Among these fundamental properties, the cohesion (binding) energy mainly describes most behaviours of materials in different environments. In this work, we discuss this fundamental property through a nano-thennodynamical approach using two algorithms, where in the first approach the size dependence of the inner (bulk) cohesion energy is studied, and in the second approach the surface cohesion energy is considered too. The results, which are presented through a computational demonstration (for four different metals: AI, Ga, Wand Ag), can be compared with some experimental values for W metallic nano-particles.


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