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Kim, Kwang S.
Center for Superfunctional Materials (CSM)
Research Interests
  • Theoretical/experimental nanosciences, molecular electronics spectroscopy, energy materials

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Limit of metastability for liquid and vapor phases of water

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Title
Limit of metastability for liquid and vapor phases of water
Author
Cho, Woo JongKim, JaegilLee, JoonhoKeyes, ThomasStraub, John E.Kim, Kwang S.
Keywords
MOLECULAR-DYNAMICS; CLUSTERS (H2O)(N); GLOBAL MINIMA; NUCLEATION; ENERGIES; HEXAMER; SURFACE; N-LESS-THAN-OR-EQUAL-TO-21; TIP4P/2005; ELECTRON
Issue Date
201404
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW LETTERS, v.112, no.15, pp.157802 -
Abstract
We report the limits of superheating of water and supercooling of vapor from Monte Carlo simulations using microscopic models with configurational enthalpy as the order parameter. The superheating limit is well reproduced. The vapor is predicted to undergo spinodal decomposition at a temperature of Tspvap=46±10°C (0°Câ‰Tspvapâ‰100°C) under 1 atm. The water-water network begins to form at the supercooling limit of the vapor. Three-dimensional water-water and cavity-cavity unbroken networks are interwoven at critically superheated liquid water; if either network breaks, the metastable state changes to liquid or vapor.
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DOI
http://dx.doi.org/10.1103/PhysRevLett.112.157802
ISSN
0031-9007
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SNS_Journal Papers
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