TY - JOUR
T1 - Room temperature electrofreezing of water yields a missing dense ice phase in the phase diagram
AU - Zhu, Weiduo
AU - Huang, Yingying
AU - Zhu, Chongqin
AU - Wu, Hong Hui
AU - Wang, Lu
AU - Bai, Jaeil
AU - Yang, Jinlong
AU - Francisco, Joseph S.
AU - Zhao, Jijun
AU - Yuan, Lan Feng
AU - Zeng, Xiao Cheng
PY - 2019/12/1
Y1 - 2019/12/1
N2 - Water can freeze into diverse ice polymorphs depending on the external conditions such as temperature (T) and pressure (P). Herein, molecular dynamics simulations show evidence of a high-density orthorhombic phase, termed ice χ, forming spontaneously from liquid water at room temperature under high-pressure and high external electric field. Using free-energy computations based on the Einstein molecule approach, we show that ice χ is an additional phase introduced to the state-of-the-art T–P phase diagram. The χ phase is the most stable structure in the high-pressure/low-temperature region, located between ice II and ice VI, and next to ice V exhibiting two triple points at 6.06 kbar/131.23 K and 9.45 kbar/144.24 K, respectively. A possible explanation for the missing ice phase in the T–P phase diagram is that ice χ is a rare polarized ferroelectric phase, whose nucleation/growth occurs only under very high electric fields.
AB - Water can freeze into diverse ice polymorphs depending on the external conditions such as temperature (T) and pressure (P). Herein, molecular dynamics simulations show evidence of a high-density orthorhombic phase, termed ice χ, forming spontaneously from liquid water at room temperature under high-pressure and high external electric field. Using free-energy computations based on the Einstein molecule approach, we show that ice χ is an additional phase introduced to the state-of-the-art T–P phase diagram. The χ phase is the most stable structure in the high-pressure/low-temperature region, located between ice II and ice VI, and next to ice V exhibiting two triple points at 6.06 kbar/131.23 K and 9.45 kbar/144.24 K, respectively. A possible explanation for the missing ice phase in the T–P phase diagram is that ice χ is a rare polarized ferroelectric phase, whose nucleation/growth occurs only under very high electric fields.
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U2 - 10.1038/s41467-019-09950-z
DO - 10.1038/s41467-019-09950-z
M3 - Article
C2 - 31028288
AN - SCOPUS:85064947267
VL - 10
JO - Nature Communications
JF - Nature Communications
SN - 2041-1723
IS - 1
M1 - 1925
ER -