“School of Physic”
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| Paper IPM / Physic / 8463 |
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| Abstract: | |||||
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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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