Thermal Motion in Ice and Heavy Ice

Zajac, Alfred

doi:10.1063/1.1744716

Cited by 13 publications

(3 citation statements)

References 5 publications

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“…47,48 Above 87 K the D is set to a single value as the maximum (319.3 K). This is consistent with the finding that the thermal motion of oxygen atoms in ice can be described by a single Debye characteristic temperature in the range from 183 to 273 K. 49 Even though the value of 319 K for D is a little higher since the melting point of the normal ice at ambient pressure is only 273 K, it is still reasonable. The reason is that the melting point and D are determined by the different interactions in ice.…”

Section: Watersupporting

confidence: 78%

The inquiry of liquids and glass transition by heat capacity

Wen

Wang

2012

AIP Advances

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Reconsidering the intrinsic connection between simple liquids and the glass transition, we attempt to understand them with an explicit liquid model. Liquids are defined to the mixture composed of tiny particles restricted in non-identical potential energy wells, where translational motions of tiny particles in statistical equilibrium, as well as vibrations and rotations, are distinguished. The liquid model offers an opportunity to build up a quantitative correlation between heat capacity and the basic motions appearing in liquids. Agreements between theoretical prediction and experimental data on heat capacities of typical simple liquids are reached. A serial of experimental data confirm that the glass transition originates from the falling out-of-equilibrium of the translational motions in liquids. The work might provide a novel and intuitive way to uncover a shady corner of the mysterious liquids and the glass transition

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Section: Watersupporting

confidence: 78%

The inquiry of liquids and glass transition by heat capacity

Wen

Wang

2012

AIP Advances

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“…Nevertheless, the Debye temperature of ice Ih has been measured. 33 It is 224 K at ambient pressure, that is 149 cm Ϫ1 or 18.5 meV. Referring to Refs.…”

Section: ͑10͒mentioning

confidence: 99%

Pressure dependence of Raman linewidths in ices VII and VIII

et al. 1997

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Vibrational modes of D 2 O ices VII and VIII have been measured by Raman scattering in a diamond-anvil cell up to 25 GPa, between 80 and 300 K. The linewidths and frequency variation with pressure and temperature of T , a low-frequency O-O stretching phonon mode, and of 1 , the high-frequency totally symmetric O-H stretching vibron, are analyzed, and their behavior at the phase transition from ice VIII to ice VII is explained. The discontinuities in the linewidth and frequency of the phonon, which occur when going from ordered ice VIII to site-disordered ice VII are shown to originate from the lifting of wave-vector selection rules. The temperature dependence of the 1 vibron linewidth shows its lifetime to be limited by two-phonon decay processes which involve a low-frequency compressional mode of the oxygen sublattice, in H 2 O as well as in D 2 O. This process quantitatively accounts for the decrease of the 1 linewidth with increasing pressure up to 15 GPa. By contrast with the behavior of the T mode, no discontinuity occurs in the 1 vibron linewidth in D 2 O and H 2 O at the VIII-VII phase transition so that its lifetime is not affected by site disorder, as had previously been proposed. The increase of the vibron linewidth from 15 to 30 GPa is shown not to be related to proton or deuteron tunneling and is tentatively assigned to its decay into bending modes.

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“…The interpreta tion of their results supported the statistical model of ice due to Pauling, although the proton positions in H 20 ice may not agree exactly with those of deuterons in D 20 ice, because of the anharmonicity of the potential in which the protons move, and because of their higher vibrational magnitude. The Debye characteristic temperature, which represented the molecular vibrational amplitudes measured from changes with tem perature of the X-ray diffraction intensities (Zajac 1958), is found to be 13 K higher for D 20 ice. Deuteron n.m.r.…”

Section: Introductionmentioning

confidence: 95%

Dielectric properties of polycrystalline D₂O ice Ih (hexagonal)

Johari

Jones

1976

Proc. R. Soc. Lond. A

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Measurements of the dielectric permittivity and loss of polycrystalline 98.75% D 2 O ice Ih have been made in the temperature range 77-274 K and in the frequency range 10 -2 to 5 x 10 7 Hz. In addition, isothermal decay of stored charge has been measured by a transient current method. The orientation polarization in D 2 O ice is found to be the sum of the contributions from three relaxation processes, each being of the Debye-type, with the fastest one nearly two orders of magnitude smaller than the other two. The individual contribution of these processes to the orientation polarization, and their respective relaxation times, vary with temperature in such a manner as to increase the width of the absorption spectrum with decreasing temperature. The magnitude of the equilibrium dielectric permittivity obeys the Curie-Weiss law with T c = 27 K. The equilibrium dielectric permittivity of D 2 O ice is about 7% higher than that of H 2 O ice. This effect is similar to that seen in many hydrogen bonded solids in the paraelectric state and may indicate a 4% higher effective dipole moment in D 2 O than in H 2 O ice. The high frequency permittivity of D 2 O ice is 4-5% lower than that of H 2 O ice. The difference is partly due to the lower optical polarizability of the D 2 O molecule but is mainly due to the difference in the absorption of infrared frequencies. The (∂ є ∞ /∂ T ) p decreases with temperature. The relaxation in D 2 O ice is 40% slower than in H 2 O ice near 260 K. An Eyring plot of the average relaxation time gives an activation energy of 50.0 kJ mol -1 at temperatures above 250 K. With decreasing temperature the activation energy first decreases until about 170 K and then begins to increase slowly. The decrease in the activation energy is likely caused by a change in the magnitude of the roles of intrinsic orientational defects associated with the ideal ice lattice, and extrinsic orientational defects introduced by impurities, grain boundaries, etc., in determining the molecular re-orientation rates. The increase in the activation energy at temperature below 170K is probably due to the concerted motion of the water molecules. The Arrhenius plot of the high-frequency conductivity is similar to that of the reciprocal average relaxation time. It is shown that the high frequency conductivity is determined largely by the same mechanism as is responsible for dielectric relaxation.

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Thermal Motion in Ice and Heavy Ice

Cited by 13 publications

References 5 publications

The inquiry of liquids and glass transition by heat capacity

The inquiry of liquids and glass transition by heat capacity

Pressure dependence of Raman linewidths in ices VII and VIII

Dielectric properties of polycrystalline D₂O ice Ih (hexagonal)

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Thermal Motion in Ice and Heavy Ice

Cited by 13 publications

References 5 publications

The inquiry of liquids and glass transition by heat capacity

The inquiry of liquids and glass transition by heat capacity

Pressure dependence of Raman linewidths in ices VII and VIII

Dielectric properties of polycrystalline D2O ice Ih (hexagonal)

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Dielectric properties of polycrystalline D₂O ice Ih (hexagonal)