Premelting and the Machanisms of Melting in the Alkali Halides

<p>An experimental and theoretical study of premelting behaviour and mechanisms of melting in the alkali-halides is presented. Theories of melting and previous premelting experiments are first reviewed, then an elastic strain theory of melting is developed, which includes dilatation and shear contributions to the elastic energy and to the vibrational entropy, as well as a communal entropy and an entropy due to the isothermal expansion on melting. By fitting experimental melting parameters, dislocation-like local strains are implicated. The bulk and shear moduli are shown to be continuous with respect to dilatation through the melting expansion and one of the shear moduli vanishes at the dilatation of the melt at the melting temperature. A modified Born instability theory of melting is thus valid. Premelting rises in the apparent specific heat and electrical conductivity within 6 K of the melting point are studied and are shown to occur at the surfaces only. The use of guard rings to eliminate surface conduction is essential at all temperatures above the extrinsic/intrinsic conductivity 'knee', and electrical fringing must be taken into account for typical specimen sizes. For various surface orientations, the rises in surface conductivity occur at lower temperatures the lower the surface packing density, and for deformed specimens, the greater the deformation. The results are interpreted in terms of an atomic-scale surface melting below the melting point, and a consequent rapid rise in vaporisation rate. A dislocation theory of surface melting, melting and the solid-liquid interface is developed which gives good agreement with experimental values for the melting temperatures and the interfacial energies.</p>

Premelting and the Machanisms of Melting in the Alkali Halides

<p>An experimental and theoretical study of premelting behaviour and mechanisms of melting in the alkali-halides is presented. Theories of melting and previous premelting experiments are first reviewed, then an elastic strain theory of melting is developed, which includes dilatation and shear contributions to the elastic energy and to the vibrational entropy, as well as a communal entropy and an entropy due to the isothermal expansion on melting. By fitting experimental melting parameters, dislocation-like local strains are implicated. The bulk and shear moduli are shown to be continuous with respect to dilatation through the melting expansion and one of the shear moduli vanishes at the dilatation of the melt at the melting temperature. A modified Born instability theory of melting is thus valid. Premelting rises in the apparent specific heat and electrical conductivity within 6 K of the melting point are studied and are shown to occur at the surfaces only. The use of guard rings to eliminate surface conduction is essential at all temperatures above the extrinsic/intrinsic conductivity 'knee', and electrical fringing must be taken into account for typical specimen sizes. For various surface orientations, the rises in surface conductivity occur at lower temperatures the lower the surface packing density, and for deformed specimens, the greater the deformation. The results are interpreted in terms of an atomic-scale surface melting below the melting point, and a consequent rapid rise in vaporisation rate. A dislocation theory of surface melting, melting and the solid-liquid interface is developed which gives good agreement with experimental values for the melting temperatures and the interfacial energies.</p>

Real-Time Identification of Oxygen Vacancy Centers in LiNbO3 and SrTiO3 during Irradiation with High Energy Particles

Oxygen vacancies are known to play a central role in the optoelectronic properties of oxide perovskites. A detailed description of the exact mechanisms by which oxygen vacancies govern such properties, however, is still quite incomplete. The unambiguous identification of oxygen vacancies has been a subject of intense discussion. Interest in oxygen vacancies is not purely academic. Precise control of oxygen vacancies has potential technological benefits in optoelectronic devices. In this review paper, we focus our attention on the generation of oxygen vacancies by irradiation with high energy particles. Irradiation constitutes an efficient and reliable strategy to introduce, monitor, and characterize oxygen vacancies. Unfortunately, this technique has been underexploited despite its demonstrated advantages. This review revisits the main experimental results that have been obtained for oxygen vacancy centers (a) under high energy electron irradiation (100 keV–1 MeV) in LiNbO3, and (b) during irradiation with high-energy heavy (1–20 MeV) ions in SrTiO3. In both cases, the experiments have used real-time and in situ optical detection. Moreover, the present paper discusses the obtained results in relation to present knowledge from both the experimental and theoretical perspectives. Our view is that a consistent picture is now emerging on the structure and relevant optical features (absorption and emission spectra) of these centers. One key aspect of the topic pertains to the generation of self-trapped electrons as small polarons by irradiation of the crystal lattice and their stabilization by oxygen vacancies. What has been learned by observing the interplay between polarons and vacancies has inspired new models for color centers in dielectric crystals, models which represent an advancement from the early models of color centers in alkali halides and simple oxides. The topic discussed in this review is particularly useful to better understand the complex effects of different types of radiation on the defect structure of those materials, therefore providing relevant clues for nuclear engineering applications.

The First Two Decades of Neutron Scattering at the Chalk River Laboratories

The early advances in neutron scattering at the Chalk River Laboratories of Atomic Energy of Canada are recorded. From initial nuclear physics measurements at the National Research Experimental (NRX) reactor came the realization that, with the flux available and improvements in monochromator technology, direct measurements of the normal modes of vibrations of solids and the structure and dynamics of liquids would be feasible. With further flux increases at the National Research Universal (NRU) reactor, the development of the triple-axis crystal spectrometer, and the invention of the constant-Q technique, the fields of lattice dynamics and magnetism and their interpretation in terms of the long-range forces between atoms and exchange interactions between spins took a major step forward. Experiments were performed over a seven-year period on simple metals such as potassium, complex metals such as lead, transition metals, semiconductors, and alkali halides. These were analyzed in terms of the atomic forces and demonstrated the long-range nature of the forces. The first measurements of spin wave excitations, in magnetite and in the 3D metal alloy CoFe, also came in this period. The first numerical estimates of the superfluid fraction of liquid helium II came from extensive measurements of the phonon–roton and multiphonon parts of the inelastic scattering. After the first two decades, neutron experiments continued at Chalk River until the shut-down of the NRU reactor in 2018 and the disbanding of the neutron effort in 2019, seventy years after the first experiments.