Non-Gaussian energy landscape of a simple model for strong network-forming liquids: Accurate evaluation of the configurational entropy (Articolo in rivista)

Type
Label
  • Non-Gaussian energy landscape of a simple model for strong network-forming liquids: Accurate evaluation of the configurational entropy (Articolo in rivista) (literal)
Anno
  • 2006-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1063/1.2196879 (literal)
Alternative label
  • A.J. Moreno (1); I. Saika-Voivod (2); E. Zaccarelli (3); E. La Nave (3); S. V. Buldyrev (5); P. Tartaglia (6); F. Sciortino (7) (2006)
    Non-Gaussian energy landscape of a simple model for strong network-forming liquids: Accurate evaluation of the configurational entropy
    in The Journal of chemical physics
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • A.J. Moreno (1); I. Saika-Voivod (2); E. Zaccarelli (3); E. La Nave (3); S. V. Buldyrev (5); P. Tartaglia (6); F. Sciortino (7) (literal)
Pagina inizio
  • 204509 (literal)
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  • http://scitation.aip.org/content/aip/journal/jcp/124/20/10.1063/1.2196879 (literal)
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  • 124 (literal)
Rivista
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  • 13 (literal)
Note
  • ISI Web of Science (WOS) (literal)
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  • (1) Dipartimento di Fisica, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy; CNR-INFM-SMC, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy; and Donostia International Physics Center, Paseo Manuel de Lardizabal 4, E-20018 San Sebastián, Spain (2) Dipartimento di Fisica, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy and Deparment of Chemistry, University of Saskatchewan, 110 Science Place, Saskatoon, Saskatchewan S7N 5C9, Canada (3) Dipartimento di Fisica, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy; CNR-INFM-SOFT, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy; and ISC-CNR, Via dei Taurini 19, I-00185 Roma, Italy (5) Department of Physics, Yeshiva University, New York, New York 10033 (6) Dipartimento di Fisica, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy and CNR-INFM-SMC, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy (7) Dipartimento di Fisica, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy and CNR-INFM-SOFT, Università degli Studi di Roma 'La Sapienza,' Piazzale Aldo Moro 2, I-00185 Roma, Italy (literal)
Titolo
  • Non-Gaussian energy landscape of a simple model for strong network-forming liquids: Accurate evaluation of the configurational entropy (literal)
Abstract
  • We present a numerical study of the statistical properties of the potential energy landscape of a simple model for strong network-forming liquids. The model is a system of spherical particles interacting through a square-well potential, with an additional constraint that limits the maximum number of bonds N-max per particle. Extensive simulations have been carried out as a function of temperature, packing fraction, and N-max. The dynamics of this model are characterized by Arrhenius temperature dependence of the transport coefficients and by nearly exponential relaxation of dynamic correlators, i.e., features defining strong glass-forming liquids. This model has two important features: (i) Landscape basins can be associated with bonding patterns. (ii) The configurational volume of the basin can be evaluated in a formally exact way, and numerically with an arbitrary precision. These features allow us to evaluate the number of different topologies the bonding pattern can adopt. We find that the number of fully bonded configurations, i.e., configurations in which all particles are bonded to N-max neighbors, is extensive, suggesting that the configurational entropy of the low temperature fluid is finite. We also evaluate the energy dependence of the configurational entropy close to the fully bonded state and show that it follows a logarithmic functional form, different from the quadratic dependence characterizing fragile liquids. We suggest that the presence of a discrete energy scale, provided by the particle bonds, and the intrinsic degeneracy of fully bonded disordered networks differentiates strong from fragile behavior. (c) 2006 American Institute of Physics. (literal)
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