Between Harmonic Crystal and Glass: Solids with Dimpled Potential-Energy Surfaces Having Multiple Local Energy Minima

Solids with dimpled potential-energy surfaces are ubiquitous in nature and, typically, exhibit structural (elastic or phonon) instabilities. Dimpled potentials are not harmonic; thus, the conventional quasiharmonic approximation at finite temperatures fails to describe anharmonic vibrations in such solids. At sufficiently high temperatures, their crystal structure is stabilized by entropy; in this phase, a diffraction pattern of a periodic crystal is combined with vibrational properties of a phonon glass. As temperature is lowered, the solid undergoes a symmetry-breaking transition and transforms into a lower-symmetry phase with lower lattice entropy. Here, we identify specific features in the potential-energy surface that lead to such polymorphic behavior; we establish reliable estimates for the relative energies and temperatures associated with the anharmonic vibrations and the solid–solid symmetry-breaking phase transitions. We show that computational phonon methods can be applied to address anharmonic vibrations in a polymorphic solid at fixed temperature. To illustrate the ubiquity of this class of materials, we present a range of examples (elemental metals, a shape-memory alloy, and a layered charge-density-wave system); we show that our theoretical predictions compare well with known experimental data.

Meteorological Parameters of Thunderstorm Ground Enhancements

<p>Thunderstorm ground enhancements (TGEs) are events of energetic particle flux increases, discovered and observed at the Aragats Research Station (Armenia). Energetic particles are accelerated and multiplied in the electric field of clouds, and may be registered by ground-based detectors. Analysis of the structure of thunderclouds producing TGEs is crucial for clarifying the mechanism of particle acceleration.</p><p>In the present study the hydrometeor dynamics are analysed on the basis of the state of the atmosphere modeling by means of Weather Research and Forecasting Model. Meteorological characteristics typical of TGE occurrence in the mountainous region of Aragats are discovered. A technique has been developed for estimation of the charge distribution in a cloud on the basis of comparison of the simulations and experimental data. The retrieved cloud electrical structure is used to estimate the dependence of the electrification process on the temperature and liquid water content.</p><p>An unusually low concentration of ice particles leads to the great importance of snow particles in the process of charge separation. A typical charge distribution in a TGE-producing cloud is found to be well approximated by a two-layered charge structure with a lower positive charge region formed by graupel particles and an upper negative region formed by snow particles. Characteristic charge density is 0.01 C/km^3 for graupel cluster and 0.02 C/km^3 for snow cluster. A vertical distance of about 1-2 km between the lower positive and upper negative layers is sufficient for the development of an energetic particle avalanche.</p><p>The obtained estimation of the hydrometeor content and the electrical structure of a TGE-producing cloud provides new evidence on particle acceleration mechanisms in the atmosphere and processes of charge distribution in mountainous conditions.</p>

Layer-by-layer mixing in engines with direct gasoline injection

Features of the design and operation of engines with direct injection of gasoline into the cylinders and layer-by-layer mixing are considered. Opportunities of improving the engine fuel efficiency and exhaust gases toxicity characteristics with this organization of the working process are shown. Problems arising when organizing such a working process of a gasoline engine are noted. Keywords internal combustion engine; diesel engine; gasoline engine; direct injection; layer-by-layer mixing; layered charge; lean mixture

Beyond soft chemistry – bulk and surface modifications of polycrystalline lepidocrocite titanate induced by post-synthesis thermal treatment

Increased interlayer expansion and reduction of layered charge density in lepidocrocite-titanate.