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Inferring bulk self-assembly properties from simulations of small systems with multiple constituent species and small systems in the grand canonical ensemble.

Abstract:

In this paper, we generalize a methodology [T. E. Ouldridge, A. A. Louis, and J. P. K. Doye, J. Phys.: Condens. Matter 22, 104102 (2010)] for dealing with the inference of bulk properties from small simulations of self-assembling systems of characteristic finite size. In particular, schemes for extrapolating the results of simulations of a single self-assembling object to the bulk limit are established in three cases: for assembly involving multiple particle species, for systems with one spec...

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Publisher copy:
10.1063/1.4757267

Authors


Ouldridge, TE More by this author
Journal:
The Journal of chemical physics
Volume:
137
Issue:
14
Pages:
144105
Publication date:
2012-10-05
DOI:
EISSN:
1089-7690
ISSN:
0021-9606
URN:
uuid:f3956834-adb2-4046-ac01-3e94823152cf
Source identifiers:
334674
Local pid:
pubs:334674

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