Literature DB >> 16197129

Structural order for one-scale and two-scale potentials.

Zhenyu Yan1, Sergey V Buldyrev, Nicolas Giovambattista, H Eugene Stanley.   

Abstract

We perform molecular dynamics simulations to investigate the relationship between structural order and waterlike dynamic and thermodynamic anomalies in spherically symmetric potentials having either one or two characteristic length scales. Structural order is characterized by translational and orientational order parameters. We find that (i) dynamic and thermodynamic anomalies exist for both one-scale and two-scale ramp potentials, and (ii) waterlike structural order anomalies exist only for the two-scale ramp potential. Our findings suggest that the waterlike relationship between structural order and anomalies is related to the presence of two different length scales in the potential.

Entities:  

Year:  2005        PMID: 16197129     DOI: 10.1103/PhysRevLett.95.130604

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  8 in total

1.  A tetrahedral entropy for water.

Authors:  Pradeep Kumar; Sergey V Buldyrev; H Eugene Stanley
Journal:  Proc Natl Acad Sci U S A       Date:  2009-12-14       Impact factor: 11.205

2.  Effect of hydrophobic environments on the hypothesized liquid-liquid critical point of water.

Authors:  Elena G Strekalova; Dario Corradini; Marco G Mazza; Sergey V Buldyrev; Paola Gallo; Giancarlo Franzese; H Eugene Stanley
Journal:  J Biol Phys       Date:  2011-11-11       Impact factor: 1.365

3.  Mixtures of two self- and mutually-associating liquids: Phase behavior, second virial coefficients, and entropy-enthalpy compensation in the free energy of mixing.

Authors:  Jacek Dudowicz; Jack F Douglas; Karl F Freed
Journal:  J Chem Phys       Date:  2017-08-14       Impact factor: 3.488

4.  Water-like solvation thermodynamics in a spherically symmetric solvent model with two characteristic lengths.

Authors:  Sergey V Buldyrev; Pradeep Kumar; Pablo G Debenedetti; Peter J Rossky; H Eugene Stanley
Journal:  Proc Natl Acad Sci U S A       Date:  2007-12-11       Impact factor: 11.205

5.  Liquid-liquid phase transition and glass transition in a monoatomic model system.

Authors:  Limei Xu; Sergey V Buldyrev; Nicolas Giovambattista; H Eugene Stanley
Journal:  Int J Mol Sci       Date:  2010-12-16       Impact factor: 5.923

6.  Relationship between structural order and water-like anomalies in metastable liquid silicon: Ab initio molecular dynamics.

Authors:  G Zhao; J L Yan; Y J Yu; M C Ding; X G Zhao; H Y Wang
Journal:  Sci Rep       Date:  2017-01-05       Impact factor: 4.379

7.  Thermodynamic mechanism of the density and compressibility anomalies of water in the range - 30 < T (°C) < 100.

Authors:  Makoto Yasutomi
Journal:  Sci Rep       Date:  2022-01-24       Impact factor: 4.379

Review 8.  Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.

Authors:  Gerardo Andrés Cisneros; Kjartan Thor Wikfeldt; Lars Ojamäe; Jibao Lu; Yao Xu; Hedieh Torabifard; Albert P Bartók; Gábor Csányi; Valeria Molinero; Francesco Paesani
Journal:  Chem Rev       Date:  2016-05-17       Impact factor: 60.622

  8 in total

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