Literature DB >> 10990751

Instantaneous normal mode analysis of supercooled water

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Abstract

We use the instantaneous normal mode approach to provide a description of the local curvature of the potential energy surface of a model for water. We focus on the region of the phase diagram in which the dynamics may be described by mode-coupling theory. We find that the diffusion constant depends on the fraction of directions in configuration space connecting different local minima, supporting the hypothesis that the dynamics are controlled by the geometric properties of configuration space. Furthermore, we find a relation between the number of basins accessed in equilibrium and the connectivity between them.

Entities:  

Year:  2000        PMID: 10990751     DOI: 10.1103/PhysRevLett.84.4605

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


  5 in total

1.  Molecular dynamics studies of heterogeneous dynamics and dynamic crossover in supercooled atomic liquids.

Authors:  Hans C Andersen
Journal:  Proc Natl Acad Sci U S A       Date:  2005-05-03       Impact factor: 11.205

2.  Instantaneous normal modes and the protein glass transition.

Authors:  Roland Schulz; Marimuthu Krishnan; Isabella Daidone; Jeremy C Smith
Journal:  Biophys J       Date:  2009-01       Impact factor: 4.033

3.  Effects of Salts of the Hofmeister Series on the Hydrogen Bond Network of Water.

Authors:  Nathaniel V Nucci; Jane M Vanderkooi
Journal:  J Mol Liq       Date:  2008-10-20       Impact factor: 6.165

4.  Zwanzig-Mori projection operators and EEG dynamics: deriving a simple equation of motion.

Authors:  David Hsu; Murielle Hsu
Journal:  PMC Biophys       Date:  2009-07-13

5.  Universal law for the vibrational density of states of liquids.

Authors:  Alessio Zaccone; Matteo Baggioli
Journal:  Proc Natl Acad Sci U S A       Date:  2021-02-02       Impact factor: 11.205

  5 in total

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