Evolution of nanoclusters at the coagulation of supersaturated solutions, a computer study
Autor: | G.F. Syrykh, D.K. Belashchenko, E.S. Lobanov |
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Rok vydání: | 2007 |
Předmět: |
Supersaturation
Precipitation (chemistry) Chemistry Mechanical Engineering Metals and Alloys Nanoparticle Thermodynamics Activation energy Amorphous solid Nanoclusters Molecular dynamics Mechanics of Materials Materials Chemistry Coagulation (water treatment) Physics::Atmospheric and Oceanic Physics |
Zdroj: | Journal of Alloys and Compounds. :577-580 |
ISSN: | 0925-8388 |
DOI: | 10.1016/j.jallcom.2006.08.196 |
Popis: | Molecular dynamics is used to investigate the coagulation of the precipitates in a supersaturated binary solution and its dependence on the thermodynamic properties of the system, concentration and temperature. Lennard–Jones potentials with different parameters for different pairs of atoms are employed. Coagulation proceeds by gradual growth of clusters and is not a thermally activated process. The rate of coagulation depends weakly on temperature. Solute clusters are initially amorphous and crystallize in the stable face-centered cubic structure only after reaching a specific size. |
Databáze: | OpenAIRE |
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