Solvation in space-time: pre-transition effects in trajectory space

We demonstrate pre-transition effects in space--time in trajectories of systems in which the dynamics displays a first-order phase transition between distinct dynamical phases. These effects are analogous to those observed for thermodynamic first-order phase transitions, most notably the hydrophobic...

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Main Authors: Katira, Shachi, Garrahan, Juan P., Mandadapu, Kranthi K.
Format: Article
Published: American Physical Society 2018
Online Access:https://eprints.nottingham.ac.uk/51670/
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author Katira, Shachi
Garrahan, Juan P.
Mandadapu, Kranthi K.
author_facet Katira, Shachi
Garrahan, Juan P.
Mandadapu, Kranthi K.
author_sort Katira, Shachi
building Nottingham Research Data Repository
collection Online Access
description We demonstrate pre-transition effects in space--time in trajectories of systems in which the dynamics displays a first-order phase transition between distinct dynamical phases. These effects are analogous to those observed for thermodynamic first-order phase transitions, most notably the hydrophobic effect in water. Considering the (infinite temperature) East model as an elementary example, we study the properties of ``space--time solvation'' by examining trajectories where finite space--time regions are conditioned to be inactive in an otherwise active phase. We find that solvating an inactive region of space--time within an active trajectory shows two regimes in the dynamical equivalent of solvation free energy: an ``entropic'' small solute regime in which uncorrelated fluctuations are sufficient to evacuate activity from the solute, and an ``energetic" large solute regime which involves the formation of a solute-induced inactive domain with an associated active--inactive interface bearing a dynamical interfacial tension. We also show that as a result of this dynamical interfacial tension there is a dynamical analog of the hydrophobic collapse that drives the assembly of large hydrophobes in water. We discuss the general relevance of these results to the properties of dynamical fluctuations in systems with slow collective relaxation such as glass formers.
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spelling nottingham-516702020-05-04T19:42:55Z https://eprints.nottingham.ac.uk/51670/ Solvation in space-time: pre-transition effects in trajectory space Katira, Shachi Garrahan, Juan P. Mandadapu, Kranthi K. We demonstrate pre-transition effects in space--time in trajectories of systems in which the dynamics displays a first-order phase transition between distinct dynamical phases. These effects are analogous to those observed for thermodynamic first-order phase transitions, most notably the hydrophobic effect in water. Considering the (infinite temperature) East model as an elementary example, we study the properties of ``space--time solvation'' by examining trajectories where finite space--time regions are conditioned to be inactive in an otherwise active phase. We find that solvating an inactive region of space--time within an active trajectory shows two regimes in the dynamical equivalent of solvation free energy: an ``entropic'' small solute regime in which uncorrelated fluctuations are sufficient to evacuate activity from the solute, and an ``energetic" large solute regime which involves the formation of a solute-induced inactive domain with an associated active--inactive interface bearing a dynamical interfacial tension. We also show that as a result of this dynamical interfacial tension there is a dynamical analog of the hydrophobic collapse that drives the assembly of large hydrophobes in water. We discuss the general relevance of these results to the properties of dynamical fluctuations in systems with slow collective relaxation such as glass formers. American Physical Society 2018-06-29 Article PeerReviewed Katira, Shachi, Garrahan, Juan P. and Mandadapu, Kranthi K. (2018) Solvation in space-time: pre-transition effects in trajectory space. Physical Review Letters, 120 (26). p. 260602. ISSN 1079-7114 https://journals.aps.org/prl/accepted/0f072Y61Y5b11152046a04f77e8968d1d0150c9a3 doi:10.1103/PhysRevLett.120.260602 doi:10.1103/PhysRevLett.120.260602
spellingShingle Katira, Shachi
Garrahan, Juan P.
Mandadapu, Kranthi K.
Solvation in space-time: pre-transition effects in trajectory space
title Solvation in space-time: pre-transition effects in trajectory space
title_full Solvation in space-time: pre-transition effects in trajectory space
title_fullStr Solvation in space-time: pre-transition effects in trajectory space
title_full_unstemmed Solvation in space-time: pre-transition effects in trajectory space
title_short Solvation in space-time: pre-transition effects in trajectory space
title_sort solvation in space-time: pre-transition effects in trajectory space
url https://eprints.nottingham.ac.uk/51670/
https://eprints.nottingham.ac.uk/51670/
https://eprints.nottingham.ac.uk/51670/