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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.

Publication ,  Journal Article
Zhang, K; Charbonneau, P
Published in: Physical review. E, Statistical, nonlinear, and soft matter physics
October 2012

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.

Duke Scholars

Published In

Physical review. E, Statistical, nonlinear, and soft matter physics

DOI

EISSN

1550-2376

ISSN

1539-3755

Publication Date

October 2012

Volume

86

Issue

4 Pt 1

Start / End Page

042501

Related Subject Headings

  • Fluids & Plasmas
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences
 

Citation

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Zhang, K., & Charbonneau, P. (2012). [N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, 86(4 Pt 1), 042501. https://doi.org/10.1103/physreve.86.042501
Zhang, Kai, and Patrick Charbonneau. “[N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics 86, no. 4 Pt 1 (October 2012): 042501. https://doi.org/10.1103/physreve.86.042501.
Zhang K, Charbonneau P. [N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4. Physical review E, Statistical, nonlinear, and soft matter physics. 2012 Oct;86(4 Pt 1):042501.
Zhang, Kai, and Patrick Charbonneau. “[N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4.Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, vol. 86, no. 4 Pt 1, Oct. 2012, p. 042501. Epmc, doi:10.1103/physreve.86.042501.
Zhang K, Charbonneau P. [N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4. Physical review E, Statistical, nonlinear, and soft matter physics. 2012 Oct;86(4 Pt 1):042501.

Published In

Physical review. E, Statistical, nonlinear, and soft matter physics

DOI

EISSN

1550-2376

ISSN

1539-3755

Publication Date

October 2012

Volume

86

Issue

4 Pt 1

Start / End Page

042501

Related Subject Headings

  • Fluids & Plasmas
  • 09 Engineering
  • 02 Physical Sciences
  • 01 Mathematical Sciences