Related papers: Bayesian Inference for Polycrystalline Materials
Nuclear matter at large number of colors is necessarily in a solid phase. In particular holographic nuclear matter takes the form of a crystal of instantons of the flavor group. In this article we initiate the analysis of the…
We demonstrate how the mixed dynamic form factor (MDFF) can be interpreted as a quadratic form. This makes it possible to use matrix diagonalization methods to reduce the number of terms that need to be taken into account when calculating…
Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…
In this work we present an alternative way to look at electron diffraction in a transmission electron microscope. In stead of writing the scattering amplitude in Fourier space as a set of plane waves, we use the cylindrical Fourier…
A definition of structural diversity, adapted from the biodiversity literature, is introduced to provide a general characterization of structures of condensed matter. Using the Favored Local Structure (FLS) lattice model as a testbed, the…
An optimization procedure determining the ideal configuration at the microstructural level of ferroelectric (FE) materials is applied to maximize piezoelectricity. Piezoelectricity in ceramic FEs differ significantly from that of single…
The discovery of new crystalline materials is essential to scientific and technological progress. However, traditional trial-and-error approaches are inefficient due to the vast search space. Recent advancements in machine learning have…
The need for statistical models of orientations arises in many applications in engineering and computer science. Orientational data appear as sets of angles, unit vectors, rotation matrices or quaternions. In the field of directional…
X-ray Bragg coherent diffraction imaging has been demonstrated as a powerful three-dimensional (3D) microscopy approach for the investigation of sub-micrometer-scale crystalline particles. It is based on the measurement of a series of…
Materials design has traditionally evolved through trial-error approaches, mainly due to the non-local relationship between microstructures and properties such as strength and toughness. We propose 'alloy informatics' as a machine learning…
A scattering polarizer is created by subjecting a polymer dispersed liquid crystal (PDLC) film to tensile strain. The optomechanical properties of the film are investigated by simultaneously measuring the stress-strain and polarization…
Multiscale simulations are indispensable for connecting microstructural features to the macroscopic behavior of polycrystalline materials, but their high computational demands limit their practicality. Deep material networks (DMNs) have…
Many real objects are modeled as discrete sets of points, such as corners or other salient features. For our main applications in chemistry, points represent atomic centers in a molecule or a solid material. We study the problem of…
Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the…
Understanding the scattering properties of various media is of critical importance in many applications, from secure, high-bandwidth communications to extracting information about biological and mineral particles dissolved in sea water. In…
Crystals are a state of matter characterised by periodic order. Yet crystalline materials can harbour disorder in many guises, such as non-repeating variations in composition, atom displacements, bonding arrangements, molecular…
Metal-organic frameworks (MOFs) marry inorganic nodes, organic edges, and topological nets into programmable porous crystals, yet their astronomical design space defies brute-force synthesis. Generative modeling holds ultimate promise, but…
To find a suitable framework for nonlinear crystal optics(NCO), we have revisited linear crystal optics(LCO). At the methodological level, three widely used plane wave bases are compared in terms of eigenanalysis in reciprocal space and…
In analysis of X-ray diffraction data, identifying the crystalline phase is important for interpreting the material. The typical method is identifying the crystalline phase from the coincidence of the main diffraction peaks. This method…
Difference imaging is a technique for obtaining precise relative photometry of variable sources in crowded stellar fields and, as such, constitutes a crucial part of the data reduction pipeline in surveys for microlensing events or…