Related papers: X-ray absorption Debye-Waller factors from ab init…
This work is concerned with the numerical simulation of ablation of geological materials using a millimetre wave source. To this end, a new mathematical model is developed for a thermal approach to the problem, allowing for large scale…
A generic aggregate forming system in two dimensions (2D) is studied using canonical ensemble constant temperature molecular dynamics simulation. The aggregates form due to the competition between short range attraction and long range…
Based on the results of exact consideration of electron-ion Coulomb interaction, by numerical simulations for ultimate absorption coefficient, we study the practically more interesting case of absorption of hard x-ray quanta of frequency…
The linear absorption spectra in monolayers of transition metal dichalcogenides show pronounced signatures of the exceptionally strong exciton-phonon interaction in these materials. To account for both exciton and phonon physics in such…
We model the absorption of X-rays by gas obscuring the source and photoionized by it. We consider a broad range of column densities, including both Thomson-thin and Thomson-thick media. For the Thomson thin regime, we derive a simple…
Dynamics of a thin dewetting liquid film on a vertically oscillating substrate is considered. We assume moderate vibration frequency and large (compared to the mean film thickness) vibration amplitude. Using the lubrication approximation…
All theoretical models (Heisenberg, Ising etc.) assume a negligible role for thermal vibrations in alloy and magnetic phase transitions. Analysis of diffraction data conclusively proves that this assumption is incorrect. A simple criterion…
X-ray emission associated to accretion onto compact objects displays important levels of photometric and spectroscopic time-variability. When the accretor orbits a Supergiant star, it captures a fraction of the supersonic radiatively-driven…
The advent of the new generation of X-ray telescopes yielded a significant step forward in our understanding of ionised absorption generated in the accretion discs of X-ray binaries. It has become evident that these relatively weak and…
The phonon-assisted interband optical absorption spectrum of silicon is calculated at the quasiparticle level entirely from first principles. We make use of the Wannier interpolation formalism to determine the quasiparticle energies, as…
A significant deviation from the Debye model of rotational diffusion in the dynamics of orientational degrees of freedom in an equimolar mixture of ellipsoids of revolution and spheres is found to begin precisely at a temperature at which…
Black hole binary systems can emit very bright and rapidly varying X-ray signals when material from the companion accretes onto the black hole, liberating huge amounts of gravitational potential energy. Central to this process of accretion…
The fragmentation of molecular cations following inner-shell decay processes in molecules containing heavy elements underpins the x-ray damage effects observed in x-ray scattering measurements of biological and chemical materials, as well…
In the present work we have performed an ab initio calculation of vibrational properties of CuTe2O5 by means of density functional theory method. One has compared calculated values with known experimental data on Raman and infrared…
We present a new rigorous method for estimating statistical quantities in fluid dynamics such as the (average) energy dissipation rate directly from the equations of motion. The method is tested on shear flow, channel flow,…
We present calculations of the absorption spectrum of semiconductors and insulators comparing various approaches: (i) the two-particle Bethe-Salpeter equation of Many-Body Perturbation Theory; (ii) time-dependent density-functional theory…
The lattice vibrations are determined in the quasi-harmonic approximation for elemental Au and Cu to twice their normal density by first-principles electronic band-structure calculations. It is found for these materials that the important…
We introduce and test a new and highly efficient method for treating the thermal and radiative effects influencing the energy equation in SPH simulations of star formation. The method uses the density, temperature and gravitational…
In this article, we consider the inverse problem of determining spatially heterogeneous absorption and diffusion coefficients from a single measurement of the absorbed energy (in the steady-state diffusion approximation of light transfer).…
We develop a first-principles approach to compute infrared (IR) vibrational absorption and Raman scattering spectra with excitonic effects included. Our method is based on a perturbative expansion of electron-phonon and electron-light…