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arxiv: 1002.0250 · v1 · pith:HMYNYRJDnew · submitted 2010-02-01 · ❄️ cond-mat.stat-mech · cond-mat.mtrl-sci

A phase-field-crystal approach to critical nuclei

classification ❄️ cond-mat.stat-mech cond-mat.mtrl-sci
keywords criticalnucleationphase-field-crystalmodelnucleuspointssaddleability
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We investigate a phase-field-crystal model for homogeneous nucleation. Instead of solving the time evolution of a density field towards equilibrium we use a String Method to identify saddle points in phase space. The saddle points allow to obtain the nucleation barrier and the critical nucleus. The advantage of using the phase-field-crystal model for this task is its ability to resolve atomistic effects. The obtained results indicate different properties of the critical nucleus compared with bulk crystals and show a detailed description of the nucleation process.

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