Large-Scale Structure and Hyperuniformity of Amorphous Ices

Martelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolas; Car, Roberto

doi:10.1103/physrevlett.119.136002

Title: Large-Scale Structure and Hyperuniformity of Amorphous Ices

Abstract

We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice to produce high-density amorphous ice (HDA). Both HDA and LDA are nearly hyperuniform; i.e., they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with the nonequilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and the system becomes hyposurficial (devoid of “surface-area fluctuations”). Our investigation challenges the largely accepted “frozen-liquid” picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of pressure-induced structural transformations in glasses.

Authors:

Martelli, Fausto ^[1]; Torquato, Salvatore ^[1]; Giovambattista, Nicolas ^[2]; Car, Roberto ^[1]

Princeton Univ., NJ (United States)
City Univ. of New York (CUNY), NY (United States)

Publication Date:: Fri Sep 29 00:00:00 EDT 2017

Research Org.:: Princeton Univ., NJ (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)

OSTI Identifier:: 1536563

Alternate Identifier(s):: OSTI ID: 1395601

Grant/Contract Number:: SC0008626; DMR-1714722

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review Letters

Additional Journal Information:: Journal Volume: 119; Journal Issue: 13; Journal ID: ISSN 0031-9007

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE

Citation Formats


                    Martelli, Fausto, Torquato, Salvatore, Giovambattista, Nicolas, and Car, Roberto. Large-Scale Structure and Hyperuniformity of Amorphous Ices.  United States: N. p., 2017. 
Web.  doi:10.1103/physrevlett.119.136002.

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                    Martelli, Fausto, Torquato, Salvatore, Giovambattista, Nicolas, & Car, Roberto. Large-Scale Structure and Hyperuniformity of Amorphous Ices.  United States.  https://doi.org/10.1103/physrevlett.119.136002

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                    Martelli, Fausto, Torquato, Salvatore, Giovambattista, Nicolas, and Car, Roberto. Fri .  
"Large-Scale Structure and Hyperuniformity of Amorphous Ices".  United States.  https://doi.org/10.1103/physrevlett.119.136002.  https://www.osti.gov/servlets/purl/1536563.

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@article{osti_1536563,

  title        = {Large-Scale Structure and Hyperuniformity of Amorphous Ices},

  author       = {Martelli, Fausto and Torquato, Salvatore and Giovambattista, Nicolas and Car, Roberto},

  abstractNote = {We investigate the large-scale structure of amorphous ices and transitions between their different forms by quantifying their large-scale density fluctuations. Specifically, we simulate the isothermal compression of low-density amorphous ice (LDA) and hexagonal ice to produce high-density amorphous ice (HDA). Both HDA and LDA are nearly hyperuniform; i.e., they are characterized by an anomalous suppression of large-scale density fluctuations. By contrast, in correspondence with the nonequilibrium phase transitions to HDA, the presence of structural heterogeneities strongly suppresses the hyperuniformity and the system becomes hyposurficial (devoid of “surface-area fluctuations”). Our investigation challenges the largely accepted “frozen-liquid” picture, which views glasses as structurally arrested liquids. Beyond implications for water, our findings enrich our understanding of pressure-induced structural transformations in glasses.},

  doi          = {10.1103/physrevlett.119.136002},

  journal      = {Physical Review Letters},

  number       = 13,

  volume       = 119,

  place        = {United States},

  year         = {Fri Sep 29 00:00:00 EDT 2017},

  month        = {Fri Sep 29 00:00:00 EDT 2017}

}

Copy to clipboard

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Works referencing / citing this record:

Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors
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Martelli, Fausto
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Medium-range order in amorphous ices revealed by persistent homology
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Title: Large-Scale Structure and Hyperuniformity of Amorphous Ices

Abstract

Citation Formats

‘Melting ice’ I at 77 K and 10 kbar: a new method of making amorphous solids journal, August 1984

Ensemble Theory for Stealthy Hyperuniform Disordered Ground States journal, May 2015

Probing the triplet correlation function in liquid water by experiments and molecular simulations journal, January 2017

Equilibrated High-Density Amorphous Ice and Its First-Order Transition to the Low-Density Form journal, December 2011

Colloquium : Water’s controversial glass transitions journal, February 2016

Nature of the Polyamorphic Transition in Ice under Pressure journal, January 2005

Avian photoreceptor patterns represent a disordered hyperuniform solution to a multiscale packing problem journal, February 2014

Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature journal, June 2014

Structures of High-Density and Low-Density Water journal, March 2000

Widom line and the liquid–liquid critical point for the TIP4P/2005 water model journal, December 2010

The Perfect Glass Paradigm: Disordered Hyperuniform Glasses Down to Absolute Zero journal, November 2016

Growth and collapse of structural patterns in the hydrogen bond network in liquid water journal, May 1996

Hyperuniformity in amorphous silicon based on the measurement of the infinite-wavelength limit of the structure factor journal, July 2013

An apparently first-order transition between two amorphous phases of ice induced by pressure journal, March 1985

Spatially inhomogeneous bimodal inherent structure of simulated liquid water journal, January 2011

A second distinct structural “state” of high-density amorphous ice at 77 K and 1 bar journal, December 2001

Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water journal, April 2016

Evolution of the structure of amorphous ice: From low-density amorphous through high-density amorphous to very high-density amorphous ice journal, April 2005

Unexpected Density Fluctuations in Jammed Disordered Sphere Packings journal, August 2005

Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model journal, August 2015

Statistical Physics for cosmic structures journal, April 2002

Critical slowing down and hyperuniformity on approach to jamming journal, July 2016

Structural Studies of Several Distinct Metastable Forms of Amorphous Ice journal, August 2002

The relationship between liquid, supercooled and glassy water journal, November 1998

A general purpose model for the condensed phases of water: TIP4P/2005 journal, December 2005

Hyperuniformity in point patterns and two-phase random heterogeneous media journal, December 2009

Screening, Hyperuniformity, and Instability in the Sedimentation of Irregular Objects journal, April 2017

First-order transition in confined water between high-density liquid and low-density amorphous phases journal, November 2000

The glass transition in high-density amorphous ice journal, January 2015

Structures of High and Low Density Amorphous Ice by Neutron Diffraction journal, May 2002

Supercooled and glassy water journal, October 2003

The structure of ambient water journal, June 2010

Molecular scale precursor of the liquid–liquid phase transition of water journal, February 1998

Designer disordered materials with large, complete photonic band gaps journal, November 2009

Particle localization and hyperuniformity of polymer-grafted nanoparticle materials: Particle localization and hyperuniformity of polymer-grafted nanoparticle materials journal, March 2017

Amorphous ices: experiments and numerical simulations journal, November 2006

Nearly hyperuniform network models of amorphous silicon journal, June 2013

Isotropic band gaps and freeform waveguides observed in hyperuniform disordered photonic solids journal, September 2013

Nanoscale engineering of two-dimensional disordered hyperuniform block-copolymer assemblies journal, November 2015

Critical slowing down and hyperuniformity on approach to jamming text, January 2016

Local Density Fluctuations, Hyperuniformity, and Order Metrics text, January 2003

Evolution of the structure of amorphous ice - from low-density amorphous (LDA) through high-density amorphous (HDA) to very high-density amorphous (VHDA) ice text, January 2005

Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors journal, March 2019

Universal hidden order in amorphous cellular geometries text, January 2019

Medium-range order in amorphous ices revealed by persistent homology journal, August 2019

Binary mixtures of charged colloids: a potential route to synthesize disordered hyperuniform materials journal, January 2018

Searching for crystal-ice domains in amorphous ices journal, July 2018

Specific Heat and Transport Functions of Water journal, January 2020

Universal hidden order in amorphous cellular geometries journal, February 2019

Potential energy landscape of TIP4P/2005 water journal, April 2018

Searching for crystal-ice domains in amorphous ices text, January 2018

Specific Heat and Transport Functions of Water journal, January 2020

Universal hidden order in amorphous cellular geometries text, January 2019

‘Melting ice’ I at 77 K and 10 kbar: a new method of making amorphous solids
journal, August 1984

Ensemble Theory for Stealthy Hyperuniform Disordered Ground States
journal, May 2015

Probing the triplet correlation function in liquid water by experiments and molecular simulations
journal, January 2017

Equilibrated High-Density Amorphous Ice and Its First-Order Transition to the Low-Density Form
journal, December 2011

Colloquium : Water’s controversial glass transitions
journal, February 2016

Nature of the Polyamorphic Transition in Ice under Pressure
journal, January 2005

Avian photoreceptor patterns represent a disordered hyperuniform solution to a multiscale packing problem
journal, February 2014

Ultrafast X-ray probing of water structure below the homogeneous ice nucleation temperature
journal, June 2014

Structures of High-Density and Low-Density Water
journal, March 2000

Widom line and the liquid–liquid critical point for the TIP4P/2005 water model
journal, December 2010

The Perfect Glass Paradigm: Disordered Hyperuniform Glasses Down to Absolute Zero
journal, November 2016

Growth and collapse of structural patterns in the hydrogen bond network in liquid water
journal, May 1996

Hyperuniformity in amorphous silicon based on the measurement of the infinite-wavelength limit of the structure factor
journal, July 2013

An apparently first-order transition between two amorphous phases of ice induced by pressure
journal, March 1985

Spatially inhomogeneous bimodal inherent structure of simulated liquid water
journal, January 2011

A second distinct structural “state” of high-density amorphous ice at 77 K and 1 bar
journal, December 2001

Two-state thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water
journal, April 2016

Evolution of the structure of amorphous ice: From low-density amorphous through high-density amorphous to very high-density amorphous ice
journal, April 2005

Unexpected Density Fluctuations in Jammed Disordered Sphere Packings
journal, August 2005

Pressure-induced transformations in glassy water: A computer simulation study using the TIP4P/2005 model
journal, August 2015

Statistical Physics for cosmic structures
journal, April 2002

Critical slowing down and hyperuniformity on approach to jamming
journal, July 2016

Structural Studies of Several Distinct Metastable Forms of Amorphous Ice
journal, August 2002

The relationship between liquid, supercooled and glassy water
journal, November 1998

A general purpose model for the condensed phases of water: TIP4P/2005
journal, December 2005

Hyperuniformity in point patterns and two-phase random heterogeneous media
journal, December 2009

Screening, Hyperuniformity, and Instability in the Sedimentation of Irregular Objects
journal, April 2017

First-order transition in confined water between high-density liquid and low-density amorphous phases
journal, November 2000

The glass transition in high-density amorphous ice
journal, January 2015

Structures of High and Low Density Amorphous Ice by Neutron Diffraction
journal, May 2002

Supercooled and glassy water
journal, October 2003

The structure of ambient water
journal, June 2010

Molecular scale precursor of the liquid–liquid phase transition of water
journal, February 1998

Designer disordered materials with large, complete photonic band gaps
journal, November 2009

Particle localization and hyperuniformity of polymer-grafted nanoparticle materials: Particle localization and hyperuniformity of polymer-grafted nanoparticle materials
journal, March 2017

Amorphous ices: experiments and numerical simulations
journal, November 2006

Nearly hyperuniform network models of amorphous silicon
journal, June 2013

Isotropic band gaps and freeform waveguides observed in hyperuniform disordered photonic solids
journal, September 2013

Nanoscale engineering of two-dimensional disordered hyperuniform block-copolymer assemblies
journal, November 2015

Critical slowing down and hyperuniformity on approach to jamming
text, January 2016

Local Density Fluctuations, Hyperuniformity, and Order Metrics
text, January 2003

Evolution of the structure of amorphous ice - from low-density amorphous (LDA) through high-density amorphous (HDA) to very high-density amorphous (VHDA) ice
text, January 2005

Unravelling the contribution of local structures to the anomalies of water: The synergistic action of several factors
journal, March 2019

Universal hidden order in amorphous cellular geometries
text, January 2019

Medium-range order in amorphous ices revealed by persistent homology
journal, August 2019

Binary mixtures of charged colloids: a potential route to synthesize disordered hyperuniform materials
journal, January 2018

Searching for crystal-ice domains in amorphous ices
journal, July 2018

Specific Heat and Transport Functions of Water
journal, January 2020

Universal hidden order in amorphous cellular geometries
journal, February 2019

Potential energy landscape of TIP4P/2005 water
journal, April 2018

Searching for crystal-ice domains in amorphous ices
text, January 2018

Specific Heat and Transport Functions of Water
journal, January 2020

Universal hidden order in amorphous cellular geometries
text, January 2019