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Numerical Evidence for bcc Ordering at the Surface of a Critical fcc Nucleus
Open accessAbstract
We report a computer-simulation study of the crystal nucleation barrier and the structure of crystal nuclei in a Lennard-Jones system at moderate supercooling. The stable structure of the Lennard-Jones solid is known to be face-centered cubic. We find that the precritical nuclei are predominantly body-centered cubic ordered. But, as the nucleus grows to its critical size, the core becomes fcc ordered. Surprisingly, however, the interface of the critical nucleus retains a high degree of bcc-like ordering.
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Cited by
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
A Review of Classical and Nonclassical Nucleation Theories
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Finney, E. E., & Finke, R. G. (2008) · Journal of Colloid and Interface Science · doi:10.1016/j.jcis.2007.05.092 · Cited by 377
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Sun, W., Jayaraman, S., Chen, W., Persson, K. A., & Ceder, G. (2015) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1423898112 · Cited by 310
Metadata
- Authors
- ten Wolde, P. R., Ruiz-Montero, M. J., & Frenkel, D.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1995-10-02
- Volume
- 75
- Issue
- 14
- Pages
- 2714-2717
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2096759743
- Cited by
- 552
- References
- 0
- FWCI
- 5.25
- Type
- journal article
- Language
- en
- Open access
- green
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- CoChat. (2026). Citation check: Numerical Evidence for bcc Ordering at the Surface of a Critical fcc Nucleus. https://app.cochat.ai/papers/10.1103/physrevlett.75.2714
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- ten Wolde, P. R., Ruiz-Montero, M. J., & Frenkel, D. (1995). Numerical Evidence for bcc Ordering at the Surface of a Critical fcc Nucleus. Physical Review Letters. https://doi.org/10.1103/physrevlett.75.2714
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