Related papers: A spherical harmonics method for processing anisot…
The availability of neutron spallation-source instruments that provide total scattering powder diffraction has led to an increased application of real-space structure analysis using the pair distribution function. Currently, the analytical…
Understanding the mechanisms and spatial correlations of crystallographic symmetry breaking in ferroelectric materials is essential to tuning their functional properties. While optical second harmonic generation (SHG) has long been utilized…
We propose an optimisation method for the inverse structural design of self-assembly of anisotropic patchy particles. The anisotropic interaction can be expressed by the spherical harmonics of the surface pattern on a patchy particle, and…
The underlying dielectric properties of materials, intertwined with intriguing phenomena such as topological polariton modes and anisotropic thermal conductivities, stem from the anisotropy in atomic vibrations. Conventionally, X-ray…
The statistical approach is used to calculate the parton distribution functions (PDFs) of the nucleon. At first it is assumed that the partons are free particles and the light-front kinematic variables are employed to extract the Bjorken…
Modern X-ray spectroscopy has proven itself as a robust tool for probing the electronic structure of atoms in complex environments. Despite working on energy scales that are much larger than those corresponding to nuclear motions, taking…
Resonant X-ray scattering (RXS) is a spectroscopy where both the power of site selective diffraction and the power of local absorption spectroscopy regarding atomic species are combined. By virtue of the dependence on the core level state…
Experimental data in Particle and Nuclear physics, Particle Astrophysics and Radiation Protection Dosimetry are obtained from experimental facilities comprising a complex array of sensors, electronics and software. Computer simulation is…
We discuss the numerically stable, spectral-domain computation and extraction of the scattered electromagnetic field excited by distributed sources embedded in planar-layered environments, where each layer may exhibit arbitrary and…
We report an extension of the source imaging method for analyzing three-dimensional sources from three-dimensional correlations. Our technique consists of expanding the correlation data and the underlying source function in spherical…
A probability density function (PDF) of a spatially dependent field provides a means of calculating moments of the field or, equivalently, the proportion of a spatial domain that is mapped to a given set of values. This paper describes a…
Atomic layer deposition (ALD) provides uniform and conformal thin films that are of interest for a range of applications. To better understand the properties of amorphous ALD films, we need improved understanding of their local atomic…
Analysis of geostatistical data is often based on the assumption that the spatial random field is isotropic. This assumption, if erroneous, can adversely affect model predictions and statistical inference. Nowadays many applications…
Vector spherical wavefunctions were derived in closed-form to represent time-harmonic electromagnetic fields in an orthorhombic dielectric-magnetic material with gyrotropic-like magnetoelectric properties. These wavefunctions were used to…
The pair-angle distribution function (PADF) is a three- and four-atom correlation function that can characterise the local angular structure of disordered materials, particles or nanocrystalline materials. The PADF can be measured by x-ray…
A new and simple statistical approach is performed to calculate the parton distribution functions (PDFs) of the nucleon in terms of light-front kinematic variables. We do not put in any extra arbitrary parameter or corrected term by hand,…
We show that the structure factor $S(q)$ of water can be obtained from X-ray synchrotron experiments at grazing angle of incidence (in reflection mode) by using a liquid surface diffractometer. The corrections used to obtain $S(q)$…
We explore data reduction and correction steps and processed data reproducibility in the emerging single crystal total scattering based technique of three-dimensional differential atomic pair distribution function (3D-$\Delta$PDF) analysis.…
Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose…
The past few decades have made clear that the properties and performances of emerging functional and quantum materials can depend strongly on their local atomic and/or magnetic structure, particularly when details of the local structure…