Isotope effects on the structural transformation and relaxation of deeply supercooled water

Journal Article
The Journal of Chemical Physics, vol. 156, iss. 8, pp. 084501, 2022
Loni Kringle, Wyatt A. Thornley, Bruce D. Kay, Greg A. Kimmel
We have examined the structure of supercooled liquid D2O as a function of temperature between 185 and 255 K using pulsed laser heating to rapidly heat and cool the sample on a nanosecond timescale. The liquid structure can be represented as a linear combination of two structural motifs, with a transition between them described by a logistic function centered at 218 K with a width of 10 K. The relaxation to a metastable state, which occurred prior to crystallization, exhibited nonexponential kinetics with a rate that was dependent on the initial structural configuration. When the temperature is scaled by the temperature of maximum density, which is an isostructural point of the isotopologues, the structural transition and the non-equilibrium relaxation kinetics of D2O agree remarkably well with those for H2O.