期刊
JOURNAL OF CHEMICAL PHYSICS
卷 132, 期 13, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3328875
关键词
lattice gas; Monte Carlo methods; phase transformations; thermodynamics
资金
- NIGMS NIH HHS [T32 GM007753] Funding Source: Medline
We investigate the thermodynamic and dynamic properties of a three dimensional associating lattice gas (ALG) model through Monte Carlo simulations. The ALG model combines a soft core potential and orientational degrees of freedom. The competition of directional attractive forces and the soft core potential results in two coexisting liquid phases which are also connected through order-disorder critical transitions. The model presents structural order, density, and diffusion anomalies. Our study suggests that the dynamic fragile-to-strong transitions are associated to changes in structural order.
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