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Molecular dynamics simulation of the kinetics of nucleation of supercooled NaCl melt clusters

✍ Scribed by Yu. G. Bushuev; S. V. Davletbaeva


Book ID
110184480
Publisher
International Academic Publishing Co (Nauka/Interperiodica)
Year
2009
Tongue
English
Weight
370 KB
Volume
83
Category
Article
ISSN
0036-0244

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Nucleation of NaCl was reproduced by using molecular dynamics simulation. We carried out MD simulations in the 13β€Š824 ion system under the free boundary condition. Critical nucleus size, nucleation time lag, and nucleation rate were directly estimated from simulation results without using nucleation

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✍ Xiao-Hua Li; Jin-Fan Huang πŸ“‚ Article πŸ“… 2010 πŸ› John Wiley and Sons 🌐 English βš– 894 KB

## Abstract Molecular dynamics computer simulation based on the Born‐Mayer‐Huggins potential function has been carried out to study the effects of cluster size and temperature on the nucleation rate of sodium chloride clusters in the temperature range of 580 K to 630 K. Clusters with 256 and 500 Na