Literature DB >> 24476293

Predicting how nanoconfinement changes the relaxation time of a supercooled liquid.

Trond S Ingebrigtsen1, Jeffrey R Errington2, Thomas M Truskett3, Jeppe C Dyre1.   

Abstract

The properties of nanoconfined fluids can be strikingly different from those of bulk liquids. A basic unanswered question is whether the equilibrium and dynamic consequences of confinement are related to each other in a simple way. We study this question by simulation of a liquid comprising asymmetric dumbbell-shaped molecules, which can be deeply supercooled without crystallizing. We find that the dimensionless structural relaxation times-spanning six decades as a function of temperature, density, and degree of confinement-collapse when plotted versus excess entropy. The data also collapse when plotted versus excess isochoric heat capacity, a behavior consistent with the existence of isomorphs in the bulk and confined states.

Year:  2013        PMID: 24476293     DOI: 10.1103/PhysRevLett.111.235901

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


  4 in total

1.  Machine learning determination of atomic dynamics at grain boundaries.

Authors:  Tristan A Sharp; Spencer L Thomas; Ekin D Cubuk; Samuel S Schoenholz; David J Srolovitz; Andrea J Liu
Journal:  Proc Natl Acad Sci U S A       Date:  2018-10-09       Impact factor: 11.205

2.  Structural predictor for nonlinear sheared dynamics in simple glass-forming liquids.

Authors:  Trond S Ingebrigtsen; Hajime Tanaka
Journal:  Proc Natl Acad Sci U S A       Date:  2017-12-15       Impact factor: 11.205

3.  Protein Solvent Shell Structure Provides Rapid Analysis of Hydration Dynamics.

Authors:  Jayangika N Dahanayake; Elaheh Shahryari; Kirsten M Roberts; Micah E Heikes; Chandana Kasireddy; Katie R Mitchell-Koch
Journal:  J Chem Inf Model       Date:  2019-03-22       Impact factor: 4.956

4.  Thermodynamics of freezing and melting.

Authors:  Ulf R Pedersen; Lorenzo Costigliola; Nicholas P Bailey; Thomas B Schrøder; Jeppe C Dyre
Journal:  Nat Commun       Date:  2016-08-17       Impact factor: 14.919

  4 in total

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