NDLI: Cluster and reentrant anomalies of nearly Gaussian core particles

Content Provider	Royal Society of Chemistry (RSC)
Author	Coslovich, Daniele Ikeda, Atsushi
Copyright Year	2013
Abstract	We study through integral equation theory and numerical simulations the structure and dynamics of fluids composed of ultrasoft, nearly Gaussian particles. Namely, we explore the fluid phase diagram of a model in which particles interact via the generalized exponential potential u(r) = εexp[−(r/σ)n], with a softness exponent n slightly larger than 2. In addition to the well-known anomaly associated with reentrant melting, the structure and dynamics of the fluid display two additional anomalies, which are visible in the isothermal variation of the structure factor and diffusivity. These features are correlated with the appearance of dimers in the fluid phase and with the subsequent modification of the cluster structure upon compression. We corroborate these results through an analysis of the local minima of the potential energy surface, in which clusters appear as much tighter conglomerates of particles. We find that reentrant melting and clustering coexist for softness exponents ranging from 2+ up to values relevant for the description of amphiphilic dendrimers, i.e., n = 3.
Starting Page	6786
Ending Page	6795
Page Count	10
File Format	HTM / HTML PDF
ISSN	1744683X
Volume Number	9
Issue Number	29
Journal	Soft Matter
DOI	10.1039/c3sm50368b
Language	English
Publisher	Royal Society of Chemistry
Access Restriction	Open
Subject Keyword	Potential energy surface Isothermal process Structure factor Phase diagram Interaction Ultrasoft Amphiphile Integral equation
Content Type	Text
Resource Type	Article
Subject	Chemistry Condensed Matter Physics

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