Homogeneous nucleation and growth
in iron-platinum vapour investigated by molecular dynamics simulation |
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Authors: | N Lümmen T Kraska |
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Institution: | 1.Physical Chemistry, University of Cologne,K?ln,Germany |
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Abstract: | Homogeneous nucleation and growth
from binary metal vapour is investigated by molecular dynamics simulation. It is focused here mainly on the iron-platinum
system with a mole fraction of 0.5. The simulations are started in the highly supersaturated vapour phase. Argon is added
as carrier gas removing the heat of condensation from the forming clusters. The embedded atom method is employed for modelling
of the force field of iron and platinum. The simulation runs are evaluated with respect to the nucleation rate, monomer temperature,
monomer amount, and with respect to the size of the largest cluster in the system including possible pure metal clusters.
It turns out that depending on the composition of the complete system pure platinum
clusters with sizes up to 10 to 15 atoms are formed in addition to binary clusters. Due to the high temperature of these clusters
iron atoms less likely condense at the beginning of the particle formation simulation. This leads to temporary difference
in the temperatures of the platinum and the iron subsystems, which eventually approach each other when only binary clusters
are present. In summary, the results obtained from the cluster statistics show that pure platinum nucleation and growth
can take place to some extent within the binary system. |
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Keywords: | 36 40 -c Atomic and molecular clusters 71 15 Pd Molecular dynamics calculations (Car-Parrinello) and other numerical simulations 81 10 Aj Theory and models of crystal growth physics of crystal growth crystal morphology and orientation 64 70 Nd Structural transitions in nanoscale materials |
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