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Molecular dynamics simulation of the transition from dispersed to solid phase.
A Chakrabarti1, D Fry, C M Sorensen
1Department of Physics, Cardwell Hall, Kansas State University, Manhattan, Kansas 66506-2601, USA.
Summary
Molecular dynamics simulations reveal that particle aggregates transition from fractal to compact crystalline structures. This study tracks how growth kinetics and size distributions shift from nonequilibrium to equilibrium states.
Area of Science:
- Condensed matter physics
- Computational materials science
Background:
- Understanding particle aggregation is crucial in materials science.
- Simulating particle interactions provides insights into emergent structures.
Purpose of the Study:
- To investigate the morphological transition of aggregates.
- To analyze the growth kinetics and size distribution evolution.
Main Methods:
- Two-dimensional molecular dynamics simulations.
- Utilizing finite potentials comparable to thermal energy (k(B)T).
Main Results:
- Observed a crossover from fractal to compact crystalline morphology.
- Demonstrated evolution of growth kinetics and aggregate size distributions.
- Simulations approached equilibrium limits.
Conclusions:
- Finite potentials drive significant morphological changes in aggregates.
- The system dynamics transition from nonequilibrium to equilibrium behavior.