Searching for crystal-ice domains in amorphous ices

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

doi:10.1103/PhysRevMaterials.2.075601

Title: Searching for crystal-ice domains in amorphous ices

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

Publication Date:: Mon Jul 02 00:00:00 EDT 2018

Sponsoring Org.:: USDOE

OSTI Identifier:: 1458591

Grant/Contract Number:: SC0008626

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Name: Physical Review Materials Journal Volume: 2 Journal Issue: 7; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Martelli, Fausto, Giovambattista, Nicolas, Torquato, Salvatore, and Car, Roberto. Searching for crystal-ice domains in amorphous ices.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevMaterials.2.075601.

Copy to clipboard


                    Martelli, Fausto, Giovambattista, Nicolas, Torquato, Salvatore, & Car, Roberto. Searching for crystal-ice domains in amorphous ices.  United States.  https://doi.org/10.1103/PhysRevMaterials.2.075601

Copy to clipboard


                    Martelli, Fausto, Giovambattista, Nicolas, Torquato, Salvatore, and Car, Roberto. Mon .  
"Searching for crystal-ice domains in amorphous ices".  United States.  https://doi.org/10.1103/PhysRevMaterials.2.075601.

Copy to clipboard


                    
@article{osti_1458591,

  title        = {Searching for crystal-ice domains in amorphous ices},

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

  abstractNote = {},

  doi          = {10.1103/PhysRevMaterials.2.075601},

  journal      = {Physical Review Materials},

  number       = 7,

  volume       = 2,

  place        = {United States},

  year         = {Mon Jul 02 00:00:00 EDT 2018},

  month        = {Mon Jul 02 00:00:00 EDT 2018}

}

Copy to clipboard

Journal Article:

Free Publicly Available Full Text

Accepted Manuscript (Publisher)

Publisher's Version of Record
https://doi.org/10.1103/PhysRevMaterials.2.075601

Other availability

Search WorldCat to find libraries that may hold this journal

Citation Metrics:

Cited by: 32 works

Citation information provided by
Web of Science

Save / Share:

Export Metadata

Save to My Library

Works referenced in this record:

X-Ray Diffraction Patterns of Ice
journal, March 1935

Burton, E. F.; Oliver, W. F.
Nature, Vol. 135, Issue 3413
DOI: 10.1038/135505b0

How many amorphous ices are there?
journal, January 2011

Loerting, Thomas; Winkel, Katrin; Seidl, Markus
Physical Chemistry Chemical Physics, Vol. 13, Issue 19
DOI: 10.1039/c0cp02600j

Large-Scale Structure and Hyperuniformity of Amorphous Ices
journal, September 2017

Martelli, Fausto; Torquato, Salvatore; Giovambattista, Nicolas
Physical Review Letters, Vol. 119, Issue 13
DOI: 10.1103/PhysRevLett.119.136002

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

Mishima, O.; Calvert, L. D.; Whalley, E.
Nature, Vol. 310, Issue 5976
DOI: 10.1038/310393a0

Local-order metric for condensed-phase environments
journal, February 2018

Martelli, Fausto; Ko, Hsin-Yu; Oğuz, Erdal C.
Physical Review B, Vol. 97, Issue 6
DOI: 10.1103/PhysRevB.97.064105

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

Winkel, Katrin; Mayer, Erwin; Loerting, Thomas
The Journal of Physical Chemistry B, Vol. 115, Issue 48
DOI: 10.1021/jp203985w

Ice structures, patterns, and processes: A view across the icefields
journal, May 2012

Bartels-Rausch, Thorsten; Bergeron, Vance; Cartwright, Julyan H. E.
Reviews of Modern Physics, Vol. 84, Issue 2
DOI: 10.1103/RevModPhys.84.885

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

Amann-Winkel, Katrin; Böhmer, Roland; Fujara, Franz
Reviews of Modern Physics, Vol. 88, Issue 1
DOI: 10.1103/RevModPhys.88.011002

Structural properties of water confined by phospholipid membranes
journal, July 2017

Martelli, Fausto; Ko, Hsin-Yu; Borallo, Carles Calero
Frontiers of Physics, Vol. 13, Issue 1
DOI: 10.1007/s11467-017-0704-8

On the amorphization of hexagonal ice, the nature of water's low-density amorph, and the continuity of molecular kinetics in supercooled water
journal, January 2000

Johari, G. P.
Physical Chemistry Chemical Physics, Vol. 2, Issue 8
DOI: 10.1039/a908699d

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

Loerting, Thomas; Salzmann, Christoph; Kohl, Ingrid
Physical Chemistry Chemical Physics, Vol. 3, Issue 24
DOI: 10.1039/b108676f

Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?
journal, March 2017

Shephard, Jacob J.; Ling, Sanliang; Sosso, Gabriele C.
The Journal of Physical Chemistry Letters, Vol. 8, Issue 7
DOI: 10.1021/acs.jpclett.7b00492

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

Martoňák, R.; Donadio, D.; Parrinello, M.
The Journal of Chemical Physics, Vol. 122, Issue 13
DOI: 10.1063/1.1870852

Pure ices IV and XII from high-density amorphous ice
journal, January 2003

Salzmann, C. G.; Kohl, I.; Loerting, T.
Canadian Journal of Physics, Vol. 81, Issue 1-2
DOI: 10.1139/p02-071

Experimental evidence of low-density liquid water upon rapid decompression
journal, February 2018

Lin, Chuanlong; Smith, Jesse S.; Sinogeikin, Stanislav V.
Proceedings of the National Academy of Sciences, Vol. 115, Issue 9
DOI: 10.1073/pnas.1716310115

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

Wong, Jessina; Jahn, David A.; Giovambattista, Nicolas
The Journal of Chemical Physics, Vol. 143, Issue 7
DOI: 10.1063/1.4928435

Pure Ice IV from High-Density Amorphous Ice
journal, June 2002

Salzmann, Christoph G.; Loerting, Thomas; Kohl, Ingrid
The Journal of Physical Chemistry B, Vol. 106, Issue 22
DOI: 10.1021/jp014391v

Amorphous Water
journal, June 2004

Angell, C. Austen
Annual Review of Physical Chemistry, Vol. 55, Issue 1
DOI: 10.1146/annurev.physchem.55.091602.094156

Relaxation effects in low density amorphous ice: Two distinct structural states observed by neutron diffraction
journal, May 2009

Winkel, K.; Bowron, D. T.; Loerting, T.
The Journal of Chemical Physics, Vol. 130, Issue 20
DOI: 10.1063/1.3139007

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

Tulk, C. A.
Science, Vol. 297, Issue 5585
DOI: 10.1126/science.1074178

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

Mishima, Osamu; Stanley, H. Eugene
Nature, Vol. 396, Issue 6709
DOI: 10.1038/24540

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

Abascal, J. L. F.; Vega, C.
The Journal of Chemical Physics, Vol. 123, Issue 23
DOI: 10.1063/1.2121687

Ultrasonic study of the nonequilibrium pressure-temperature diagram of $H_{2} O$ ice
journal, August 2001

Gromnitskaya, E. L.; Stal’gorova, O. V.; Brazhkin, V. V.
Physical Review B, Vol. 64, Issue 9
DOI: 10.1103/PhysRevB.64.094205

A new order parameter for tetrahedral configurations
journal, February 1998

Chau, P. -L.; Hardwick, A. J.
Molecular Physics, Vol. 93, Issue 3
DOI: 10.1080/002689798169195

Convex Polyhedra with Regular Faces
journal, January 1966

Johnson, Norman W.
Canadian Journal of Mathematics, Vol. 18
DOI: 10.4153/CJM-1966-021-8

Annealed high-density amorphous ice under pressure
journal, May 2006

Nelmes, Richard J.; Loveday, John S.; Strässle, Thierry
Nature Physics, Vol. 2, Issue 6
DOI: 10.1038/nphys313

Water polyamorphism: Reversibility and (dis)continuity
journal, January 2008

Winkel, Katrin; Elsaesser, Michael S.; Mayer, Erwin
The Journal of Chemical Physics, Vol. 128, Issue 4
DOI: 10.1063/1.2830029

Local structure analysis in ab initio liquid water
journal, July 2015

Santra, Biswajit; DiStasio, Robert A.; Martelli, Fausto
Molecular Physics, Vol. 113, Issue 17-18
DOI: 10.1080/00268976.2015.1058432

Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited
journal, October 2013

Conde, M. M.; Gonzalez, M. A.; Abascal, J. L. F.
The Journal of Chemical Physics, Vol. 139, Issue 15
DOI: 10.1063/1.4824627

The mechanisms for pressure-induced amorphization of ice Ih
journal, August 1999

Tse, J. S.; Klug, D. D.; Tulk, C. A.
Nature, Vol. 400, Issue 6745
DOI: 10.1038/23216

Structure of ice IV, a metastable high‐pressure phase
journal, December 1981

Engelhardt, Hermann; Kamb, Barclay
The Journal of Chemical Physics, Vol. 75, Issue 12
DOI: 10.1063/1.442040

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model
journal, August 2017

Engstler, Justin; Giovambattista, Nicolas
The Journal of Chemical Physics, Vol. 147, Issue 7
DOI: 10.1063/1.4998747

New method for vitrifying water and other liquids by rapid cooling of their aerosols
journal, July 1985

Mayer, Erwin
Journal of Applied Physics, Vol. 58, Issue 2
DOI: 10.1063/1.336179

Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures
journal, October 2011

Santra, Biswajit; Klimeš, Jiří; Alfè, Dario
Physical Review Letters, Vol. 107, Issue 18
DOI: 10.1103/PhysRevLett.107.185701

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

Loerting, Thomas; Fuentes-Landete, Violeta; Handle, Philip H.
Journal of Non-Crystalline Solids, Vol. 407
DOI: 10.1016/j.jnoncrysol.2014.09.003

Reversible first‐order transition between two H ₂ O amorphs at ∼0.2 GPa and ∼135 K
journal, April 1994

Mishima, Osamu
The Journal of Chemical Physics, Vol. 100, Issue 8
DOI: 10.1063/1.467103

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

Finney, J. L.; Hallbrucker, A.; Kohl, I.
Physical Review Letters, Vol. 88, Issue 22
DOI: 10.1103/PhysRevLett.88.225503

Supercooled and glassy water
journal, October 2003

Debenedetti, Pablo G.
Journal of Physics: Condensed Matter, Vol. 15, Issue 45
DOI: 10.1088/0953-8984/15/45/R01

Effect of heating rate and pressure on the crystallization kinetics of high-density amorphous ice on isobaric heating between 0.2 and 1.9 GPa
journal, January 2004

Salzmann, Christoph G.; Mayer, Erwin; Hallbrucker, Andreas
Physical Chemistry Chemical Physics, Vol. 6, Issue 22
DOI: 10.1039/b412927j

Relationship between structural order and the anomalies of liquid water
journal, January 2001

Errington, Jeffrey R.; Debenedetti, Pablo G.
Nature, Vol. 409, Issue 6818
DOI: 10.1038/35053024

Amorphous ices: experiments and numerical simulations
journal, November 2006

Loerting, Thomas; Giovambattista, Nicolas
Journal of Physics: Condensed Matter, Vol. 18, Issue 50
DOI: 10.1088/0953-8984/18/50/R01

Structural transitions in amorphous H ₂ O and D ₂ O: the effect of temperature
journal, November 2008

Winkel, Katrin; Bauer, Marion; Mayer, Erwin
Journal of Physics: Condensed Matter, Vol. 20, Issue 49
DOI: 10.1088/0953-8984/20/49/494212

Structural transitions in amorphous water ice and astrophysical implications
journal, August 1994

Jenniskens, P.; Blake, D.
Science, Vol. 265, Issue 5173
DOI: 10.1126/science.11539186

Mechanisms for pressure- and time-dependent amorphization of ice under pressure
journal, November 2004

Johari, G. P.; Andersson, Ove
Physical Review B, Vol. 70, Issue 18
DOI: 10.1103/PhysRevB.70.184108

Similar Records in DOE PAGES and OSTI.GOV collections:

Searching for crystal-ice domains in amorphous ices

Journal Article Martelli, Fausto ; Giovambattista, Nicolas ; Torquato, Salvatore ; ... - Physical Review Materials

Not provided.
https://doi.org/10.1103/physrevmaterials.2.075601
Large-Scale Structure and Hyperuniformity of Amorphous Ices

Journal Article Martelli, Fausto ; Torquato, Salvatore ; Giovambattista, Nicolas ; ... - Physical Review Letters

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 asmore »« less
Cited by 38
https://doi.org/10.1103/physrevlett.119.136002

Full Text Available
Desorption and Crystallization Kinetics in Nanoscale Thin Films of Amorphous Water Ice

Journal Article Smith, R Scott. ; Huang, Chen ; Wong, Kwok L. ; ... - Surface Science Letters

The amorphous to crystalline ice phase transition is studied by measuring the water desorption rate from nanoscale thin films of water vapor deposited on Au(111)and Ru(001) single crystal metallic substrates.
https://doi.org/10.1016/S0039-6028(96)00943-0
Following the Crystallization of Amorphous Ice after Ultrafast Laser Heating

Journal Article Ladd-Parada, Marjorie ; Amann-Winkel, Katrin ; Kim, Kyung Hwan ; ... - Journal of Physical Chemistry. B

Using time-resolved wide-angle X-ray scattering, we investigated the early stages (10 μs–1 ms) of crystallization of supercooled water, obtained by the ultrafast heating of high- and low-density amorphous ice (HDA and LDA) up to a temperature T = 205 K ± 10 K. We have determined that the crystallizing phase is stacking disordered ice (I_sd), with a maximum cubicity of χ = 0.6, in agreement with predictions from molecular dynamics simulations at similar temperatures. However, we note that a growing small portion of hexagonal ice (I_h) was also observed, suggesting that within our timeframe, I_sd starts annealing into I_h. Themore »« less
https://doi.org/10.1021/acs.jpcb.1c10906
Effect of crystallization on magnetic domain structure of thinned amorphous FeSiBCuB ribbons

Conference Zhou, S X ; Wang, Y G ; Ulvensoeen, J H ; ... - IEEE Transactions on Magnetics (Institute of Electrical and Electronics Engineers); (United States)

Crystallization and associated magnetic domain structure of Fe[sub 73.5]Cu[sub 1]Nb[sub 3]Si[sub 13.5]B[sub 9] amorphous ribbons have been investigated in in-situ annealing studies by electron transmission microscopy (TEM). Two stages of crystallization, which occurred at 380 C and 650 C, have been observed. The crystals associated with these temperatures are spherical nuclei with diameters less than 5 nm or clusters of ultrafine grains whose diameters are in the range of 15--20 nm respectively. The products formed at both stages are identified as the [alpha]-Fe(Si) phase. The magnetic domain structure of the as-quenched specimen is composed of large and simple domains. Theremore »« less

Similar Records

Title: Searching for crystal-ice domains in amorphous ices

Citation Formats

X-Ray Diffraction Patterns of Ice journal, March 1935

How many amorphous ices are there? journal, January 2011

Large-Scale Structure and Hyperuniformity of Amorphous Ices journal, September 2017

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

Local-order metric for condensed-phase environments journal, February 2018

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

Ice structures, patterns, and processes: A view across the icefields journal, May 2012

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

Structural properties of water confined by phospholipid membranes journal, July 2017

On the amorphization of hexagonal ice, the nature of water's low-density amorph, and the continuity of molecular kinetics in supercooled water journal, January 2000

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

Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway? journal, March 2017

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

Pure ices IV and XII from high-density amorphous ice journal, January 2003

Experimental evidence of low-density liquid water upon rapid decompression journal, February 2018

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

Pure Ice IV from High-Density Amorphous Ice journal, June 2002

Amorphous Water journal, June 2004

Relaxation effects in low density amorphous ice: Two distinct structural states observed by neutron diffraction journal, May 2009

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

Ultrasonic study of the nonequilibrium pressure-temperature diagram of H 2 O ice journal, August 2001

A new order parameter for tetrahedral configurations journal, February 1998

Convex Polyhedra with Regular Faces journal, January 1966

Annealed high-density amorphous ice under pressure journal, May 2006

Water polyamorphism: Reversibility and (dis)continuity journal, January 2008

Local structure analysis in ab initio liquid water journal, July 2015

Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited journal, October 2013

The mechanisms for pressure-induced amorphization of ice Ih journal, August 1999

Structure of ice IV, a metastable high‐pressure phase journal, December 1981

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model journal, August 2017

New method for vitrifying water and other liquids by rapid cooling of their aerosols journal, July 1985

Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures journal, October 2011

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

Reversible first‐order transition between two H 2 O amorphs at ∼0.2 GPa and ∼135 K journal, April 1994

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

Supercooled and glassy water journal, October 2003

Effect of heating rate and pressure on the crystallization kinetics of high-density amorphous ice on isobaric heating between 0.2 and 1.9 GPa journal, January 2004

Relationship between structural order and the anomalies of liquid water journal, January 2001

Amorphous ices: experiments and numerical simulations journal, November 2006

Structural transitions in amorphous H 2 O and D 2 O: the effect of temperature journal, November 2008

Structural transitions in amorphous water ice and astrophysical implications journal, August 1994

Mechanisms for pressure- and time-dependent amorphization of ice under pressure journal, November 2004

X-Ray Diffraction Patterns of Ice
journal, March 1935

How many amorphous ices are there?
journal, January 2011

Large-Scale Structure and Hyperuniformity of Amorphous Ices
journal, September 2017

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

Local-order metric for condensed-phase environments
journal, February 2018

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

Ice structures, patterns, and processes: A view across the icefields
journal, May 2012

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

Structural properties of water confined by phospholipid membranes
journal, July 2017

On the amorphization of hexagonal ice, the nature of water's low-density amorph, and the continuity of molecular kinetics in supercooled water
journal, January 2000

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

Is High-Density Amorphous Ice Simply a “Derailed” State along the Ice I to Ice IV Pathway?
journal, March 2017

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

Pure ices IV and XII from high-density amorphous ice
journal, January 2003

Experimental evidence of low-density liquid water upon rapid decompression
journal, February 2018

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

Pure Ice IV from High-Density Amorphous Ice
journal, June 2002

Amorphous Water
journal, June 2004

Relaxation effects in low density amorphous ice: Two distinct structural states observed by neutron diffraction
journal, May 2009

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

Ultrasonic study of the nonequilibrium pressure-temperature diagram of $H_{2} O$ ice
journal, August 2001

A new order parameter for tetrahedral configurations
journal, February 1998

Convex Polyhedra with Regular Faces
journal, January 1966

Annealed high-density amorphous ice under pressure
journal, May 2006

Water polyamorphism: Reversibility and (dis)continuity
journal, January 2008

Local structure analysis in ab initio liquid water
journal, July 2015

Determining the phase diagram of water from direct coexistence simulations: The phase diagram of the TIP4P/2005 model revisited
journal, October 2013

The mechanisms for pressure-induced amorphization of ice Ih
journal, August 1999

Structure of ice IV, a metastable high‐pressure phase
journal, December 1981

Heating- and pressure-induced transformations in amorphous and hexagonal ice: A computer simulation study using the TIP4P/2005 model
journal, August 2017

New method for vitrifying water and other liquids by rapid cooling of their aerosols
journal, July 1985

Hydrogen Bonds and van der Waals Forces in Ice at Ambient and High Pressures
journal, October 2011

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

Reversible first‐order transition between two H ₂ O amorphs at ∼0.2 GPa and ∼135 K
journal, April 1994

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

Supercooled and glassy water
journal, October 2003

Effect of heating rate and pressure on the crystallization kinetics of high-density amorphous ice on isobaric heating between 0.2 and 1.9 GPa
journal, January 2004

Relationship between structural order and the anomalies of liquid water
journal, January 2001

Amorphous ices: experiments and numerical simulations
journal, November 2006

Structural transitions in amorphous H ₂ O and D ₂ O: the effect of temperature
journal, November 2008

Structural transitions in amorphous water ice and astrophysical implications
journal, August 1994

Mechanisms for pressure- and time-dependent amorphization of ice under pressure
journal, November 2004