Temperature and rate effects in ramp-wave compression freezing of liquid water

Nissen, Erin J.; Dolan, Daniel H.

doi:10.1063/1.5099408

Cited by 12 publications

(31 citation statements)

References 18 publications

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“…We show later in this Methods section that we can represent ξ as a linear function of ΔS f and fit the coefficients of this linear relation to data collected from high-pressure solidification kinetics experiments conducted through ramp compression. 6,8 In addition, the Supporting Information explains how eq 13 simplifies under certain assumptions and approximations to the Turnbull 9 and Jian et al 13,14 models mentioned earlier.…”

Section: Overview Of Our Model For the Interfacial Free Energymentioning

confidence: 99%

“…Over the past couple of decades, several such experiments have been done to probe the kinetics of water solidifying into ice VII. 3,6,7 Similar experiments have also been performed more recently by Brown et al on gallium. 8 We determine σ for these two materials at high-pressure conditions by adjusting the parameter ξ to match the solidification kinetics observed in the experiments.…”

Section: Overview Of Our Model For the Interfacial Free Energymentioning

confidence: 99%

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Model for the Solid–Liquid Interfacial Free Energy at High Pressures

et al. 2022

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The free energy involved in the formation of an interface between two phases (e.g., a solid−liquid interface) is referred to as the interfacial free energy. For the case of solidification, the interfacial free energy dictates the height of the energy barrier required to nucleate stable clusters of the newly forming solid phase and is essential for producing an accurate solidification kinetics model using classical nucleation theory (CNT)-based methods. While various methods have been proposed for modeling the interfacial free energy for solid−liquid interfaces in prior literature, many of these formulations involve making restrictive assumptions or approximations, such as the system being at or near equilibrium (i.e., the system temperature is approximately equal to the melt temperature) or that the system is at pressures close to atmospheric. However, these approximations and assumptions may break down in highly non-equilibrium situations, such as in dynamic-compression experiments where metastable liquids that are undercooled by hundreds of kelvin or overpressurized by several gigapascals or more are formed before eventually solidifying. We derive a solid−liquid interfacial free-energy model for such high-pressure conditions by considering the enthalpies of interactions between pairs of atoms or molecules. We also consider the contribution of interface roughness (disordering) by incorporating a multilayer interface model known as the Temkin n-layer model. Our formulation is applicable to a diverse variety of materials, and we demonstrate it by developing models specifically for two different materials: water and gallium. We apply our interfacial free-energy formulation to CNT-based kinetics simulations of several suites of dynamic-compression experiments that cause liquid water to solidify to the high-pressure solid polymorph ice VII and have found good agreement to the observed kinetics with only minor empirical fitting.

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Section: Overview Of Our Model For the Interfacial Free Energymentioning

confidence: 99%

Section: Overview Of Our Model For the Interfacial Free Energymentioning

confidence: 99%

Model for the Solid–Liquid Interfacial Free Energy at High Pressures

et al. 2022

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“…To get calibrated to the effects of flyer plate impacts, we consider shocks in water, [28][29][30][31][32][33][34] as shown in Fig. 2.…”

Section: Getting Calibratedmentioning

confidence: 99%

“…With more gradual, more nearly reversible compression, where DT irr E 0, water does freeze into phases such as IceVII. [33][34][35] Fig. 2 shows computed pressure and temperature versus flyer plate impact velocity, where we consider that only a fraction of the flyer plate kinetic energy is transferred to the water due to shock impedance mismatch.…”

Section: Getting Calibratedmentioning

confidence: 99%

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Laser pulses into bullets: tabletop shock experiments

Dlott

2022

Phys. Chem. Chem. Phys.

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Real-time latent heat emission during dynamic-compression freezing of water

Nissen,

La Lone,

Mance

et al. 2023

Commun Phys

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Dynamic compression studies have been used to study the nucleation kinetics of water to ice VII for decades. Diagnostics such as photon Doppler velocimetry, transmission loss, and imaging have been used to measure pressure/density, and phase fraction, while temperature has remained the difficult thermodynamic property to quantify. In this work, we measured pressure/density and implemented a diagnostic to measure the temperature. In doing so the temperature shows quasi-isentropically compressed liquid water forms ice at pressures below the previously defined metastable limit, and the liquid phase is not hypercoooled as previously thought above that limit. Instead, the latent heat raises the temperature to the liquid-ice-VII melt line, where it remains with increasing pressure. We propose a hypothesis to corroborate these results with previous work on dynamic compression freezing. These results provide constraints for nucleation models, and suggest this technique be used to investigate phase transitions in other materials.

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Temperature and rate effects in ramp-wave compression freezing of liquid water

Cited by 12 publications

References 18 publications

Model for the Solid–Liquid Interfacial Free Energy at High Pressures

Model for the Solid–Liquid Interfacial Free Energy at High Pressures

Laser pulses into bullets: tabletop shock experiments

Real-time latent heat emission during dynamic-compression freezing of water

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