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The Journal of Chemical Physics
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The Journal of Chemical Physics
Article . 2012 . Peer-reviewed
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https://dx.doi.org/10.48550/ar...
Article . 2012
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Cluster glasses of ultrasoft particles

Authors: Coslovich D; Bernabei M; Moreno AJ;

Cluster glasses of ultrasoft particles

Abstract

We present molecular dynamics (MD) simulations results for dense fluids of ultrasoft, fully penetrable particles. These are a binary mixture and a polydisperse system of particles interacting via the generalized exponential model, which is known to yield cluster crystal phases for the corresponding monodisperse systems. Because of the dispersity in the particle size, the systems investigated in this work do not crystallize and form disordered cluster phases. The clustering transition appears as a smooth crossover to a regime in which particles are mostly located in clusters, isolated particles being infrequent. The analysis of the internal cluster structure reveals microsegregation of the big and small particles, with a strong homo-coordination in the binary mixture. Upon further lowering the temperature below the clustering transition, the motion of the clusters’ centers-of-mass slows down dramatically, giving way to a cluster glass transition. In the cluster glass, the diffusivities remain finite and display an activated temperature dependence, indicating that relaxation in the cluster glass occurs via particle hopping in a nearly arrested matrix of clusters. Finally we discuss the influence of the microscopic dynamics on the transport properties by comparing the MD results with Monte Carlo simulations.

Countries
Italy, Spain, Spain
Keywords

Macromolècules, Matèria condensada tova, FOS: Physical sciences, Molecular dynamics, Computer simulation, Soft condensed matter, Condensed Matter - Soft Condensed Matter, Monte Carlo method, Macromolecules, Simulació per ordinador, Termodinàmica, Thermodynamics, Soft Condensed Matter (cond-mat.soft), Dinàmica molecular, Mètode de Montecarlo

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selected citations
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This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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