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Freezing in the bulk controlled by prefreezing at a surface
1Department of Physics, University of Surrey, Guildford, Surrey GU2 7XH, United Kingdom.
Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics
|November 13, 2009
Summary
Crystal nucleation at surfaces is controlled by surface phase transitions, a finding applicable to bulk crystal formation. This study considers surface behavior in bulk nucleation processes.
Area of Science:
- Physical Chemistry
- Materials Science
- Computational Physics
Background:
- Crystal phases predominantly nucleate at surfaces, a phenomenon not fully understood.
- The role of surface phase transitions in controlling bulk nucleation requires further investigation.
Purpose of the Study:
- To investigate the nucleation of crystal phases at a flat surface using simulations.
- To determine if surface phase transitions influence bulk crystal nucleation.
Main Methods:
- Monte Carlo simulations.
- Utilizing the Lennard-Jones model for interatomic interactions.
Main Results:
- A surface phase transition, termed 'prefreezing,' was identified as a controlling factor in bulk crystal nucleation.
- Nucleation of the bulk crystal smoothly transitions into surface crystal layer nucleation near the bulk transition.
Conclusions:
- Surface phase behavior is crucial and must be considered in models of bulk phase nucleation at surfaces.
- The findings suggest a generalized mechanism for surface-controlled nucleation applicable to various materials.
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