Solvation in Space-time: Pretransition Effects in Trajectory Space

Katira, Shachi; Garrahan, Juan P.; Mandadapu, Kranthi K.

doi:10.1103/PhysRevLett.120.260602

Title: Solvation in Space-time: Pretransition Effects in Trajectory Space

Journal Article · Fri Jun 29 00:00:00 EDT 2018 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.120.260602· OSTI ID:1506321

Katira, Shachi ^[1]; Garrahan, Juan P. ^[2]; Mandadapu, Kranthi K. ^[3]

Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering
Univ. of Nottingham (United Kingdom). School of Physics and Astronomy; Univ. of Nottingham (United Kingdom). Centre for the Mathematics and Theoretical Physics of Quantum Non-Equilibrium Systems
Univ. of California, Berkeley, CA (United States). Dept. of Chemical and Biomolecular Engineering; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division

We demonstrate pretransition 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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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC); Engineering and Physical Sciences Research Council (EPSRC); National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231; EP/M014266/1

OSTI ID:: 1506321

Alternate ID(s):: OSTI ID: 1457822

Journal Information:: Physical Review Letters, Vol. 120, Issue 26; ISSN 0031-9007

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 10 works

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