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

作者信息

Kringle Loni, Thornley Wyatt A, Kay Bruce D, Kimmel Greg A

机构信息

Physical Sciences Division, Pacific Northwest National Laboratory, P.O. Box 999, Richland, Washington 99352, USA.

出版信息

J Chem Phys. 2022 Feb 28;156(8):084501. doi: 10.1063/5.0078796.

Abstract

We have examined the structure of supercooled liquid DO 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 DO agree remarkably well with those for HO.

摘要

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