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Cluster glasses of ultrasoft particles
Coslovich, Daniele; Bernabei, Marco; Moreno, Ángel J.
Universitat de Barcelona
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 clusteringtransition 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 clusteringtransition, 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.
Dinàmica molecular
Macromolècules
Termodinàmica
Simulació per ordinador
Mètode de Montecarlo
Matèria condensada tova
Molecular dynamics
Macromolecules
Thermodynamics
Computer simulation
Monte Carlo method
Soft condensed matter
(c) American Institute of Physics , 2012
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info:eu-repo/semantics/publishedVersion
American Institute of Physics
         

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