期刊
JOURNAL OF PHYSICS-CONDENSED MATTER
卷 22, 期 36, 页码 -出版社
IOP PUBLISHING LTD
DOI: 10.1088/0953-8984/22/36/364104
关键词
-
资金
- DFG [Vo899/7-2, SPP 1296]
We investigate a phase-field-crystal model for homogeneous nucleation. Instead of obtaining 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 us to obtain the nucleation barrier and the critical nucleus. The advantage of using the phase-field-crystal model for this task is that it can be used to resolve atomistic effects. The results obtained indicate different properties of the critical nucleus as compared with those for bulk crystals and provide a detailed description of the nucleation process.
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