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Postcollision relaxation of small atomic clusters.
1Department of Physical Sciences, University of Helsinki, P.O. Box 64, FIN-00014 Helsinki, Finland. ismo.napari@helsinki.fi
The Journal of Chemical Physics
|January 21, 2006
Summary
Molecular-dynamics simulations reveal that atomic clusters need over 200 ps to fully equilibrate after monomer collisions. Unrelaxed states minimally impact gas-liquid nucleation rates.
Area of Science:
- Physical Chemistry
- Computational Physics
- Materials Science
Background:
- Atomic clusters exhibit complex dynamics following external interactions.
- Internal equilibration is crucial for understanding cluster properties and behavior.
Purpose of the Study:
- To investigate the impact of incomplete internal equilibration on atomic cluster dynamics.
- To determine the timescale of relaxation processes in Lennard-Jones clusters after monomer collisions.
Main Methods:
- Molecular-dynamics simulations were employed.
- Systems studied included Lennard-Jones clusters (5-10 atoms) and a colliding vapor monomer.
Main Results:
- Cluster radius and potential energy stabilized within 30 ps post-collision.
- Rotational energy relaxation required at least 200 ps.
- Time-dependent cluster decay rates were observed in the initial picoseconds.
Conclusions:
- Atomic clusters exhibit distinct relaxation timescales for different properties.
- The transient, unrelaxed states are unlikely to significantly influence gas-liquid nucleation rates.