Related papers: On single crystal total scattering data reduction …
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…
We comment on the recent manuscript by Raines et al. [arXiv:0905.0269v2] (now published in Nature, vol. 463, p. 214-217, 2010), which suggests that in certain conditions a single diffraction measurement may be sufficient to reconstruct the…
We study the $\mathcal{PT} $-symmetry breaking for the scattering problem in a one-dimensional (1D) non-Hermitian tight-binding lattice model with balanced gain and loss distributed on two adjacent sites. In the scattering process the…
Many disordered crystalline materials show chemical short range order and relaxation of neighboring atoms. Local structural information can be obtained by analyzing the atomic pair distribution function (PDF). The viability of reverse Monte…
This paper presents theoretical and numerical models for the backscattering of 2D Rayleigh waves in single-phase, untextured polycrystalline materials with statistically equiaxed grains. The theoretical model, based on our prior…
Diffusion coefficient measurements are important for many biological and material investigations, such as particle dynamics, kinetics, and size determinations. Amongst current measurement methods, single particle tracking (SPT) offers the…
We consider the multidimensional space-fractional diffusion equations with spatially varying diffusivity and fractional order. Significant computational challenges are encountered when solving these equations due both to the kernel…
Three-dimensional electron tomography is used to understand the structure and properties of samples in chemistry, materials science, geoscience, and biology. With the recent development of high-resolution detectors and algorithms that can…
With the onset of the Information Era and the rapid growth of information technology, ample space for processing and extracting data has opened up. However, privacy concerns may stifle expansion throughout this area. The challenge of…
Minerals, metals, and plastics are indispensable for a functioning modern society. Yet, their supply is limited causing a need for optimizing ore extraction and recuperation from recyclable materials.Typically, those processes must be…
The present status of the coupled-channel inverse-scattering method with supersymmetric transformations is reviewed. We first revisit in a pedagogical way the single-channel case, where the supersymmetric approach is shown to provide a…
We develop a variational optimization method for crystal analysis in atomic resolution images, which uses information from a 2D synchrosqueezed transform (SST) as input. The synchrosqueezed transform is applied to extract initial…
Real-space imaging of three-dimensional atomic structures is a critical yet challenging task in materials science. Although scanning transmission electron microscopy has achieved sub-angstrom lateral resolution through techniques like…
For small samples, the modification of the XRR profile by the geometrical factors manifesting due to profile and size of the beam and the size of the sample is significant. Geometrical factors extend till spill over angle which is often…
This paper presents two new algorithms for the joint restoration of depth and reflectivity (DR) images constructed from time-correlated single-photon counting (TCSPC) measurements. Two extreme cases are considered: (i) a reduced acquisition…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
Tomography of single-particle-resolved detectors is of primary importance for characterizing particle correlations with applications in quantum metrology, quantum simulation and quantum computing. However, it is a non-trivial task in…
3D single-photon LiDAR imaging plays an important role in numerous applications. However, long acquisition times and significant data volumes present a challenge to LiDAR imaging. This paper proposes a task-optimized adaptive sampling…
Dataset Distillation (DD) aims to synthesize a small dataset capable of performing comparably to the original dataset. Despite the success of numerous DD methods, theoretical exploration of this area remains unaddressed. In this paper, we…
Single crystal inelastic neutron scattering data contain rich information about the structure and dynamics of a material. Yet the challenge of matching sophisticated theoretical models with large data volumes is compounded by computational…