Limit of metastability for liquid and vapor phases of water
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- Limit of metastability for liquid and vapor phases of water
- Cho, Woo Jong; Kim, Jaegil; Lee, Joonho; Keyes, Thomas; Straub, John E.; Kim, Kwang S.
- MOLECULAR-DYNAMICS; CLUSTERS (H2O)(N); GLOBAL MINIMA; NUCLEATION; ENERGIES; HEXAMER; SURFACE; N-LESS-THAN-OR-EQUAL-TO-21; TIP4P/2005; ELECTRON
- Issue Date
- AMER PHYSICAL SOC
- PHYSICAL REVIEW LETTERS, v.112, no.15, pp.157802 -
- 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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