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In this work, we investigate how exploiting symmetry when creating and modifying structural models may speed up global atomistic structure optimization. We propose a search strategy in which models start from high symmetry configurations…
The influence of edge roughness in angle resolved scatterometry at periodically structured surfaces is investigated. A good description of the radiation interaction with structured surfaces is crucial for the understanding of optical…
Ultrafast scattering using X-rays or electrons is an emerging method to obtain structure dynamics at the atomic length and time scales. However, directly resolving in real-space atomic motions is inherently limited by the finite detector…
This work investigates the scattering coefficients for inverse medium scattering problems. It shows some fundamental properties of the coefficients such as symmetry and tensorial properties. The relationship between the scattering…
Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…
Consider the two-dimensional inverse elastic wave scattering by an infinite rough surface with a Dirichlet boundary condition. A non-interative sampling technique is proposed for detecting the rough surface by taking elastic wave…
Scattering properties of a material are changed when the material is injected with small acoustically soft particles. It is shown that its new scattering behavior can be understood as a solution of a potential scattering problem with the…
Energetic particle irradiation of solids can cause surface ultra-smoothening, self-organized nanoscale pattern formation, or degradation of the structural integrity of nuclear reactor components. Periodic patterns including high-aspect…
We perceive the world through images formed by scattering. The ability to interpret scattering data mathematically has opened to our scrutiny the constituents of matter, the building blocks of life, and the remotest corners of the universe.…
Due to manufacturing defects or wear and tear, industrial components may have uncertainties. In order to evaluate the performance of machined components, it is crucial to quantify the uncertainty of the scattering surface. This brings up an…
Investigating atom-surface interactions is the key to an in-depth understanding of chemical processes at interfaces, which are of central importance in many fields -- from heterogeneous catalysis to corrosion. In this work, we present a…
Radiation of a charged particle moving parallel to a inhomogeneous surface is considered. Within a single formalism periodic and random gratings are examined. For the periodically inhomogeneous surface we derive new expressions for the…
This article considers the computational (acoustic) wave propagation in strongly heterogeneous structures beyond the assumption of periodicity. A high contrast between the constituents of microstructured multiphase materials can lead to…
This paper concerns the inverse scattering problem to reconstruct a locally perturbed periodic surface. Different from scattering problems with quasi-periodic incident fields and periodic surfaces, the scattered fields are no longer…
We consider an inverse elastic scattering problem of simultaneously reconstructing a rigid obstacle and the excitation sources using near-field measurements. A two-phase numerical method is proposed to achieve the co-inversion of multiple…
Inelastic light scattering is an intensively used tool in the study of electronic properties of solids. Triggered by the discovery of high temperature superconductivity in the cuprates and by new developments in instrumentation, light…
Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…
The behavior of an atomic system is influenced by introducing a metallic surface. This work explores how the decay landscape can be altered by the presence of sharp corners. We examine two scenarios: the modified spontaneous decay of a…
A nonrelativistic quantum mechanical particle moving freely on a curved surface feels the effect of the nontrivial geometry of the surface through the kinetic part of the Hamiltonian, which is proportional to the Laplace-Beltrami operator,…
Scattering from a non-smooth random field on the time domain is studied for plane waves that propagate simultaneously through the potential in variable angles. We first derive sufficient conditions for stochastic moments of the field to be…