Neutron scattering studies of glassy and liquid ZnCl2

Kartini, Evvy; Collins, M. F.; Mezei, F.; Svensson, E. C.

doi:10.1016/s0921-4526(97)00853-3

Cited by 13 publications

(18 citation statements)

References 4 publications

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“…The glass transition temperature T g of the beads was measured to be 376(2) K (mid-point) from the reversible part of the heat flow measured using a TA Instruments Q100 modulated differential scanning calorimeter with a scan rate of 3 K min −1 , modulation of ±1 K per 60 s and an oxygen-free nitrogen gas flow rate of 25 ml min −1 . These results compare with literature T g values of 376-380 K [51], 370 K [52] and 375(5) K [53].…”

Section: Sample Preparationsupporting

confidence: 85%

Structure of the network glass-former ZnCl 2 : From the boiling point to the glass

Zeidler

Chirawatkul

Salmon

et al. 2015

Journal of Non-Crystalline Solids

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The structure of the network glass-forming material ZnCl 2 was measured using both neutron and high-energy x-ray diffraction for the glass at 298(1) K and for the liquid over the temperature range 601(1)-977(2) K. Intermediate range order, as manifested by the appearance of a first-sharp diffraction peak in the measured diffraction pattern for the glass at a scattering vector k FSDP ≃ 1Å −1 , is retained in the liquid state even at temperatures close to the boiling point. The correlation lengths associated with both the intermediate and extended range ordering are found to be inversely proportional to temperature. The reverse Monte Carlo (RMC) method was used to model the material, and the results at two different temperatures are compared to those obtained from RMC models based on the partial structure factors measured by using the method of isotope substitution in neutron diffraction. The models show temperature dependent structural variability in which there is an interplay between the fractions of corner-sharing versus edge-sharing ZnCl 4 tetrahedra. Corner-sharing motifs are predominant in the glass, and edge-sharing motifs become more numerous in the liquid

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Section: Sample Preparationsupporting

confidence: 85%

Structure of the network glass-former ZnCl 2 : From the boiling point to the glass

Zeidler

Chirawatkul

Salmon

et al. 2015

Journal of Non-Crystalline Solids

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“…The transport properties show an anomalous behavior, which probably can be explained by structural changes. Various investigation methods like EXAFS, 6,7 X-ray 8,9 and neutron scattering [10][11][12][13][14] were applied to molten zinc chloride at normal pressure in order to explore its structure. In the case of neutron scattering, Biggin and Enderby 10 were able to determine the partial atom pair correlation functions of liquid zinc chloride at 600 K by 35 Cl/ 37 Cl isotopic substitution neutron experiment.…”

Section: Introductionmentioning

confidence: 99%

High temperature–high pressure apparatus for neutron diffraction on molten salts: Structure factors of molten zinc chloride

Pfleiderer

Waldner

Bertagnolli

et al. 2003

Phys. Chem. Chem. Phys.

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An apparatus for neutron diffraction experiments on corrosive liquids at high temperatures and high pressures is presented. The cell is constructed for temperatures up to 900 K and pressures up to 5000 bar and tested on molten zinc chloride at five different thermodynamic states at 723 K up to pressures of 4000 bar. The distinct terms and the total atom pair correlation functions of all five thermodynamic states are determined and their density dependences are discussed.

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“…The bump, clearly seen in the 600 K susceptibility in the 10-20 cm −1 frequency range, is the boson peak in the simulated system, and is directly linked to the 'overshoot' of the plateau in the fast-β of the time correlation function. Inelastic neutron scattering spectra [14] exhibit a broad boson peak in ZnCl 2 at 0.4 Thz (∼14 cm −1 ) at 300-400 K and the Raman data [10] show a peak at 17-30 cm −1 (dependent on fitting procedure and temperature), so that the peak in the simulated system is in the correct frequency range. The 'bump' becomes more pronounced for larger q values, showing that it is associated with small-amplitude motions, and is considerably less distinct at 700 K, despite the fact that the α relaxation is still well separated from the fast-β region at this temperature.…”

Section: The β Region-emergence Of a 'Boson' Peakmentioning

confidence: 93%

“…For such reasons, quantitative comparisons with real observation in this region have not been made, especially for the microscopic phenomena like the boson peak and the intermediate-range order. For ZnCl 2 , which is an intermediate-strength liquid [1], the structural arrest occurs in a temperature range at which detailed diffraction and spectroscopic measurement are possible [10,13,14]. Furthermore, it has proven possible to devise a 'realistic' interaction potential [15] which reproduces the experimentally observed features and yet which is sufficiently simple to allow the long runs, and large system sizes, necessary to study the structural arrest in simulations.…”

Section: Introductionmentioning

confidence: 99%