Related papers: The diffraction power of crystals with unknown ato…
Quantum interference is shown to deliver a means of regulating the diffraction pattern of a thermal atomic beam interacting with two standing wave electric fields. Parameters have been identified to enhance the diffraction probability of…
Structural response of crystals to an applied external perturbation is important as a key for understanding microscopic origin of physical properties. Experimental investigation of structural response is a great challenge for modern…
Energy-dispersive X-ray diffraction (EDXRD) is extremely insensitive to sample morphology when implemented in a back-reflection geometry. The capabilities of this non-invasive technique for cultural heritage applications have been explored…
We show that the nonlinear interactions between x rays and longer wavelengths in crystals depend strongly on the band structure and related properties. Consequently, these types of interactions can be used as a powerful probe for…
Prompted by recent experimental developments, a theory of surface scattering of fast atoms at grazing incidence is developed. The theory gives rise to a quantum mechanical limit for ordered surfaces that describes coherent diffraction peaks…
Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of…
In this paper I propose a new model for representing the formation energies of multicomponent crystalline alloys as a function of atom types. In the cases when displacements of atoms from their equilibrium positions are not large, the…
Elastically bent single-crystal Laue case diffraction crystals provide interesting new opportunities for imaging and spectroscopy applications. The diffraction properties are well understood, however, the ability to easily model the…
Phase-Field Crystal (PFC) models are able to resolve atomic length scale features of materials during temporal evolution over diffusive time scales. Traditional PFC models contain solid and liquid phases, however many important materials…
Two theoretical models for the description of the diffraction properties of gradient crystals have been developed, one in the framework of the kinematic theory, the other within a transfer matrix formalism based on the dynamical theory of…
Surface topography dictates the deterministic functionality of diffraction by a surface. In order to maximize the efficiency with which a diffractive optical component, such as a grating or a diffractive lens, directs light into a chosen…
The band structure of a novel type of photonic crystal with superconducting constituent elements is calculated numerically via a plane wave expansion. The density of states and the dependence of the width of the photonic gap on the filling…
The formation of crystals has proven to be one of the most challenging phase transformations to quantitatively model - let alone to actually understand - be it by means of the latest experimental technique or the full arsenal of enhanced…
Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process is still largely one…
AMORPH utilizes a new Bayesian statistical approach to interpreting X-ray diffraction results of samples with both crystalline and amorphous components. AMORPH fits X-ray diffraction patterns with a mixture of narrow and wide components,…
Diffusion in coulomb crystals can be important for the structure of neutron star crusts. We determine diffusion constants $D$ from molecular dynamics simulations. We find that $D$ for coulomb crystals with relatively soft-core $1/r$…
Deviations from the perfect atomic arrangements in crystals play an important role in affecting their properties. Similarly, diffusion of such deviations is behind many microstructural changes in solids. However, observation of point defect…
We introduce a number of techniques in quantitative convergent-beam electron diffraction under development by our group and discuss the basis for measuring interatomic electrostatic potentials (and therefore also electron densities),…
Refraction and diffraction of waves in natural crystals and artificial crystals formed by anisotropically scattering centers are considered. A detailed study of the electromagnetic wave refraction in a two-dimensional photonic crystal…
Radiation of charged particles passing through a set of equidistant ridges on the surface of a single crystal is calculated. The ridges are rectangular in shape, each of thickness of half of the particle trajectory period at planar…