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[N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4.

dc.contributor.author Charbonneau, Patrick
dc.contributor.author Zhang, K
dc.coverage.spatial United States
dc.date.accessioned 2016-08-03T15:32:40Z
dc.date.issued 2012-10
dc.identifier http://www.ncbi.nlm.nih.gov/pubmed/23214631
dc.identifier.uri https://hdl.handle.net/10161/12607
dc.description.abstract First-order transitions of system where both lattice site occupancy and lattice spacing fluctuate, such as cluster crystals, cannot be efficiently studied by traditional simulation methods, which necessarily fix one of these two degrees of freedom. The difficulty, however, can be surmounted by the generalized [N]pT ensemble [J. Chem. Phys. 136, 214106 (2012)]. Here we show that histogram reweighting and the [N]pT ensemble can be used to study an isostructural transition between cluster crystals of different occupancy in the generalized exponential model of index 4 (GEM-4). Extending this scheme to finite-size scaling studies also allows us to accurately determine the critical point parameters and to verify that it belongs to the Ising universality class.
dc.language eng
dc.relation.ispartof Phys Rev E Stat Nonlin Soft Matter Phys
dc.relation.isversionof 10.1103/PhysRevE.86.042501
dc.title [N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4.
dc.type Journal article
pubs.author-url http://www.ncbi.nlm.nih.gov/pubmed/23214631
pubs.begin-page 042501
pubs.issue 4 Pt 1
pubs.organisational-group Chemistry
pubs.organisational-group Duke
pubs.organisational-group Physics
pubs.organisational-group Trinity College of Arts & Sciences
pubs.publication-status Published
pubs.volume 86
dc.identifier.eissn 1550-2376


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