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We present a fully automated framework for extracting interatomic force constants (IFCs) directly from X-ray thermal diffuse scattering (TDS) data. By formulating scattering intensity as a differentiable function of a symmetry-reduced IFC…

We present a new formalism for understanding the optical properties of metasurfaces, optically thin composite diffractive devices. The proposed technique, Rigorous Diffraction Interface Theory (R-DIT), provides an analytical framework for…

Precession Electron Diffraction (PED) offers a number of advantages for crystal structure analysis and solving unknown structures using electron diffraction. The current article uses many-beam simulations of PED intensities, in combination…

The dynamical scattering theory is developed for the Laue diffraction of the M\"{o}ssbauer rays and x-rays, whose angular distribution is comparable with the diffraction angular range. Both the Rayleigh and the resonant nuclear scattering…

The well-known plastic number substitution gives rise to a ternary inflation tiling of the real line whose inflation factor is the smallest Pisot-Vijayaraghavan number. The corresponding dynamical system has pure point spectrum, and the…

In recent years, diffusion-based models have demonstrated exceptional performance in searching for simultaneously stable, unique, and novel (S.U.N.) crystalline materials. However, most of these models don't have the ability to change the…

Different theoretical methods used for the description of diffractive processes in small-x deep inelastic scattering are reviewed. The semiclassical approach, where a partonic fluctuation of the incoming virtual photon scatters off a…

The effects of thermal diffuse scattering on the transmission and eventual diffraction of highly accelerated electrons are investigated with a method that incorporates the frozen phonon approximation to the exact numerical solution of the…

The representation of the usual integral dispersion relations (IDR) of scattering theory through series of derivatives of the amplitudes is discussed, extended, simplified, and confirmed as mathematical identities. Forms of derivative…

We propose a new description of inclusive diffraction in deep inelastic scattering (DIS). The diffractive structure functions are expressed in the dipole picture and contain heavy-quark contributions. The dipole scattering amplitude, a…

A new definition of a fractional derivative has recently been developed, making use of a fractional Dirac delta function as its integral kernel. This derivative allows for the definition of a distributional fractional derivative, and as…

We formulate a finite-difference time-domain (FDTD) approach to simulate electromagnetic wave scattering from scatterers embedded in layered dielectric or dispersive media. At the heart of our approach is a derivation of an equivalent…

Kinematic diffraction is well suited for a mathematical approach via measures, which has substantially been developed since the discovery of quasicrystals. The need for further insight emerged from the question of which distributions of…

We reconstructed the 3D Fourier intensity distribution of mono-disperse prolate nano-particles using single-shot 2D coherent diffraction patterns collected at DESY's FLASH facility when a bright, coherent, ultrafast X-ray pulse intercepted…

Recent interest in structure solution and refinement using electron diffraction (ED) has been fuelled by its inherent advantages when applied to crystals of sub-micron size, as well as a better sensitivity to light elements. Currently, data…

A particle with internal unobserved states diffusing in a force field will generally display effective advection-diffusion. The drift velocity is proportional to the mobility averaged over the internal states, or effective mobility, while…

In pseudo integrable systems diffractive scattering caused by wedges and impurities can be described within the framework of Geometric Theory of Diffraction (GDT) in a way similar to the one used in the Periodic Orbit Theory of Diffraction…

We present CrystalDiT, a diffusion transformer for crystal structure generation that achieves state-of-the-art performance by challenging the trend of architectural complexity. Instead of intricate, multi-stream designs, CrystalDiT employs…

Dynamical zeta functions provide a powerful method to analyze low dimensional dynamical systems when the underlying symbolic dynamics is under control. On the other hand even simple one dimensional maps can show an intricate structure of…

Grazing incidence fast atom diffraction (GIFAD, or FAD) has developed as a surface sensitive technique. GIFAD is less sensitive to thermal decoherence but more demanding in terms of surface coherence, the mean distance between defects. Such…