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Thermodynamic, dynamic, and structural anomalies for shoulderlike potentials
2009
Journal of Chemical Physics
Using molecular dynamic simulations we study a family of continuous core-softened potentials consisting of a hard core, a shoulder at closest distances and an attractive well at further distance. The repulsive shoulder and the well distances represent two length scales. We show that if the first scale, the shoulder, is repulsive or has a small well, the potential has a region in the pressure-temperature phase diagram with density, diffusion and structural anomalies. However, if the closest
doi:10.1063/1.3213615
pmid:19739858
fatcat:ebetsbieuvbe7js7vlnn7selkq