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Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures
Open accessAbstract
The existence of systematic variations of isobaric fragility in different supercooled Lennard-Jones binary mixtures is revealed by molecular dynamics simulations. The connection between fragility and local structures in the bulk is analyzed by means of a Voronoi construction. It is found that clusters of particles belonging to locally preferred structures form slow, long-lived domains, whose spatial extension increases with decreasing temperature. As a general rule, a more rapid growth, upon supercooling, of such domains is associated with a more pronounced super-Arrhenius behavior, and hence to a larger fragility.
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Citations
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Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
Cited by
The role of local structure in dynamical arrest
Royall, C. P., & Williams, S. R. (2015) · Physics Reports · doi:10.1016/j.physrep.2014.11.004 · Cited by 473
Tanaka, H. (2012) · The European Physical Journal E · doi:10.1140/epje/i2012-12113-y · Cited by 347
Metadata
- Authors
- Coslovich, D., & Pastore, G.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2007-09-26
- Volume
- 127
- Issue
- 12
- Pages
- 124504-124504
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2085049727
- Cited by
- 199
- References
- 1
- FWCI
- 2.93
- Type
- journal article
- Language
- en
- Open access
- green
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- Coslovich, D., & Pastore, G. (2007). Understanding fragility in supercooled Lennard-Jones mixtures. I. Locally preferred structures. The Journal of Chemical Physics. https://doi.org/10.1063/1.2773716
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