TY - JOUR
T1 - Large-Scale Structure and Hyperuniformity of Amorphous Ices
AU - Martelli, Fausto
AU - Torquato, Salvatore
AU - Giovambattista, Nicolas
AU - Car, Roberto
N1 - Publisher Copyright:
© 2017 American Physical Society.
PY - 2017/9/29
Y1 - 2017/9/29
N2 - 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.
AB - 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.
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U2 - 10.1103/PhysRevLett.119.136002
DO - 10.1103/PhysRevLett.119.136002
M3 - Article
C2 - 29341697
AN - SCOPUS:85030154261
SN - 0031-9007
VL - 119
JO - Physical review letters
JF - Physical review letters
IS - 13
M1 - 136002
ER -