Literature DB >> 30181283

Origin of the emergent fragile-to-strong transition in supercooled water.

Rui Shi1, John Russo1,2, Hajime Tanaka3.   

Abstract

Liquids can be broadly classified into two categories, fragile and strong ones, depending on how their dynamical properties change with temperature. The dynamics of a strong liquid obey the Arrhenius law, whereas the fragile one displays a super-Arrhenius law, with a much steeper slowing down upon cooling. Recently, however, it was discovered that many materials such as water, oxides, and metals do not obey this simple classification, apparently exhibiting a fragile-to-strong transition far above [Formula: see text] Such a transition is particularly well known for water, and it is now regarded as one of water's most important anomalies. This phenomenon has been attributed to either an unusual glass transition behavior or the crossing of a Widom line emanating from a liquid-liquid critical point. Here by computer simulations of two popular water models and through analyses of experimental data, we show that the emergent fragile-to-strong transition is actually a crossover between two Arrhenius regimes with different activation energies, which can be naturally explained by a two-state description of the dynamics. Our finding provides insight into the fragile-to-strong transition observed in a wide class of materials.

Entities:  

Keywords:  dynamic heterogeneity; fragile-to-strong transition; structural origin; two-state model; water’s anomalies

Year:  2018        PMID: 30181283      PMCID: PMC6156665          DOI: 10.1073/pnas.1807821115

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  36 in total

1.  Growing correlation length on cooling below the onset of caging in a simulated glass-forming liquid.

Authors:  N Lacević; F W Starr; T B Schrøder; V N Novikov; S C Glotzer
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2002-09-13

2.  The dynamical crossover phenomenon in bulk water, confined water and protein hydration water.

Authors:  Francesco Mallamace; Carmelo Corsaro; Piero Baglioni; Emiliano Fratini; Sow-Hsin Chen
Journal:  J Phys Condens Matter       Date:  2012-01-25       Impact factor: 2.333

3.  Spontaneous and induced dynamic fluctuations in glass formers. I. General results and dependence on ensemble and dynamics.

Authors:  L Berthier; G Biroli; J-P Bouchaud; W Kob; K Miyazaki; D R Reichman
Journal:  J Chem Phys       Date:  2007-05-14       Impact factor: 3.488

4.  Insights into phases of liquid water from study of its unusual glass-forming properties.

Authors:  C Austen Angell
Journal:  Science       Date:  2008-02-01       Impact factor: 47.728

5.  Bond orientational order in liquids: Towards a unified description of water-like anomalies, liquid-liquid transition, glass transition, and crystallization: Bond orientational order in liquids.

Authors:  Hajime Tanaka
Journal:  Eur Phys J E Soft Matter       Date:  2012-10-31       Impact factor: 1.890

6.  Metastable liquid-liquid transition in a molecular model of water.

Authors:  Jeremy C Palmer; Fausto Martelli; Yang Liu; Roberto Car; Athanassios Z Panagiotopoulos; Pablo G Debenedetti
Journal:  Nature       Date:  2014-06-19       Impact factor: 49.962

7.  Growth rate of crystalline ice and the diffusivity of supercooled water from 126 to 262 K.

Authors:  Yuntao Xu; Nikolay G Petrik; R Scott Smith; Bruce D Kay; Greg A Kimmel
Journal:  Proc Natl Acad Sci U S A       Date:  2016-12-12       Impact factor: 11.205

8.  Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature.

Authors:  J A Sellberg; C Huang; T A McQueen; N D Loh; H Laksmono; D Schlesinger; R G Sierra; D Nordlund; C Y Hampton; D Starodub; D P DePonte; M Beye; C Chen; A V Martin; A Barty; K T Wikfeldt; T M Weiss; C Caronna; J Feldkamp; L B Skinner; M M Seibert; M Messerschmidt; G J Williams; S Boutet; L G M Pettersson; M J Bogan; A Nilsson
Journal:  Nature       Date:  2014-06-19       Impact factor: 49.962

9.  Entropy-driven liquid-liquid separation in supercooled water.

Authors:  V Holten; M A Anisimov
Journal:  Sci Rep       Date:  2012-10-08       Impact factor: 4.379

10.  The glass transition in high-density amorphous ice.

Authors:  Thomas Loerting; Violeta Fuentes-Landete; Philip H Handle; Markus Seidl; Katrin Amann-Winkel; Catalin Gainaru; Roland Böhmer
Journal:  J Non Cryst Solids       Date:  2015-01-01       Impact factor: 3.531

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  13 in total

1.  The peculiar size and temperature dependence of water diffusion in carbon nanotubes studied with 2D NMR diffusion-relaxation D -T 2eff spectroscopy.

Authors:  L Gkoura; G Diamantopoulos; M Fardis; D Homouz; S Alhassan; M Beazi-Katsioti; M Karagianni; A Anastasiou; G Romanos; J Hassan; G Papavassiliou
Journal:  Biomicrofluidics       Date:  2020-06-19       Impact factor: 2.800

2.  Link between molecular mobility and order parameter during liquid-liquid transition of a molecular liquid.

Authors:  Ken-Ichiro Murata; Hajime Tanaka
Journal:  Proc Natl Acad Sci U S A       Date:  2019-04-03       Impact factor: 11.205

3.  From water's ephemeral dance, a new order emerges.

Authors:  Jeremy C Palmer
Journal:  Proc Natl Acad Sci U S A       Date:  2019-01-22       Impact factor: 11.205

4.  The anomalies and criticality of liquid water.

Authors:  Rui Shi; Hajime Tanaka
Journal:  Proc Natl Acad Sci U S A       Date:  2020-10-15       Impact factor: 11.205

5.  Role of hydrodynamics in liquid-liquid transition of a single-component substance.

Authors:  Kyohei Takae; Hajime Tanaka
Journal:  Proc Natl Acad Sci U S A       Date:  2020-02-12       Impact factor: 11.205

6.  Structural relaxation and crystallization in supercooled water from 170 to 260 K.

Authors:  Loni Kringle; Wyatt A Thornley; Bruce D Kay; Greg A Kimmel
Journal:  Proc Natl Acad Sci U S A       Date:  2021-04-06       Impact factor: 11.205

7.  Connection between water's dynamical and structural properties: Insights from ab initio simulations.

Authors:  Cecilia Herrero; Michela Pauletti; Gabriele Tocci; Marcella Iannuzzi; Laurent Joly
Journal:  Proc Natl Acad Sci U S A       Date:  2022-05-19       Impact factor: 12.779

8.  Spurious violation of the Stokes-Einstein-Debye relation in supercooled water.

Authors:  Takeshi Kawasaki; Kang Kim
Journal:  Sci Rep       Date:  2019-05-31       Impact factor: 4.379

9.  Ice is born in low-mobility regions of supercooled liquid water.

Authors:  Martin Fitzner; Gabriele C Sosso; Stephen J Cox; Angelos Michaelides
Journal:  Proc Natl Acad Sci U S A       Date:  2019-01-22       Impact factor: 11.205

10.  Manifestations of metastable criticality in the long-range structure of model water glasses.

Authors:  Thomas E Gartner; Salvatore Torquato; Roberto Car; Pablo G Debenedetti
Journal:  Nat Commun       Date:  2021-06-07       Impact factor: 14.919

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