The phase behavior of a two-dimensional square-well model of width 1.5σ, with emphasis on the low-temperature and/or high-density region, is studied using Monte Carlo simulation in the canonical and isothermal-isobaric ensembles, and discontinuous molecular-dynamics simulation in the canonical ensemble. Several properties, such as equations of state, Binder cumulant, order parameters, and correlation functions, were computed. Numerical evidence for vapor, liquid, hexatic, and triangular solid is given, and, in addition, a non-compact solid with square-lattice symmetry is obtained. The global phase diagram is traced out in detail (or sketched approximately whenever only inaccurate information could be obtained). The solid region of the phase diagram is explained using a simple mean-field model.
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14 February 2014
Research Article|
February 11 2014
Phase diagram of a square-well model in two dimensions
Julio C. Armas-Pérez;
Julio C. Armas-Pérez
1Instituto de Química,
Universidad Nacional Autónoma de México
, Apdo. Postal 70213, 04510 Coyoacán, México D.F., Mexico
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Jacqueline Quintana-H;
Jacqueline Quintana-H
a)
1Instituto de Química,
Universidad Nacional Autónoma de México
, Apdo. Postal 70213, 04510 Coyoacán, México D.F., Mexico
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Gustavo A. Chapela;
Gustavo A. Chapela
2Departamento de Física,
Universidad Autónoma Metropolitana-Iztapalapa
, Av. San Rafael Atlixco 186, Col. Vicentina, 09340 México D.F., Mexico
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Enrique Velasco;
Enrique Velasco
3Departmento de Física Teórica de la Materia Condensada and Instituto de Física de la Materia Condensada, Facultad de Ciencias M05-605,
Universidad Autónoma de Madrid
, 28049 Madrid, Spain
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Guillermo Navascués
Guillermo Navascués
3Departmento de Física Teórica de la Materia Condensada and Instituto de Física de la Materia Condensada, Facultad de Ciencias M05-605,
Universidad Autónoma de Madrid
, 28049 Madrid, Spain
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a)
Author to whom correspondence should be addressed. Electronic mail: jaq@unam.mx
J. Chem. Phys. 140, 064503 (2014)
Article history
Received:
November 11 2013
Accepted:
January 16 2014
Citation
Julio C. Armas-Pérez, Jacqueline Quintana-H, Gustavo A. Chapela, Enrique Velasco, Guillermo Navascués; Phase diagram of a square-well model in two dimensions. J. Chem. Phys. 14 February 2014; 140 (6): 064503. https://doi.org/10.1063/1.4863993
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