Related papers: OptiMic: A tool to generate optimized polycrystall…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
Given a countable set of points in a continuous space, Voronoi tessellation is an intuitive way of partitioning the space according to the distance to the individual points. As a powerful approach to obtain structural information, it has a…
The optimization along the chain processing-structure-properties-performance is one of the core objectives in data-driven materials science. In this sense, processes are supposed to manufacture workpieces with targeted material…
We describe the development of a new software tool, called "Pomelo", for the calculation of Set Voronoi diagrams. Voronoi diagrams are a spatial partition of the space around the particles into separate Voronoi cells, e.g. applicable to…
Combinatorial and guided screening of materials space with density-functional theory and related approaches has provided a wealth of hypothetical inorganic materials, which are increasingly tabulated in open databases. The OPTIMADE API is a…
The three-dimensional (3D) microstructures of polycrystalline materials exert a critical influence on their mechanical and physical properties. Realistic, controllable construction of these microstructures is a key step toward elucidating…
For the analysis of systems consisting of small, regular objects, the methods of mathematical morphology applied to images of these systems are well-suited. One of these methods is the use of Voronoi polygons. It was found that the Voronoi…
Material microstructures are traditionally compared using sets of statistical measures that are incomplete, e.g., two visually distinct microstructures can have identical grain size distributions and phase fractions. While this is not a…
StructOpt, an open-source structure optimization suite, applies genetic algorithm and particle swarm methods to obtain atomic structures that minimize an objective function. The objective function typically consists of the energy and the…
This work concerns adaptive refinement procedures for meshes of polygonal virtual elements. Specifically, refinement procedures previously proposed by the authors for structured meshes are generalized for the challenging case of arbitrary…
We review the concepts of the Voronoi binning technique (Cappellari & Copin 2003), which optimally solves the problem of preserving the maximum spatial resolution of general two-dimensional data, given a constraint on the minimum…
MPC (Magneto-Photonic Crystal) Optimisation is a feature-rich Windows software application designed to enable researchers to analyze the optical and magneto-optical spectral properties of multilayers containing gyrotropic constituents. A…
This paper introduces a new approach toward characterizing local structural features of two-dimensional particle systems. The approach can accurately identify and characterize defects in high-temperature crystals, distinguish a wide range…
The large-scale matter distribution represents a complex network of structure elements such as voids, clusters, filaments, and sheets. This network is spanned by a point distribution. The global properties of the point process can be…
We introduce a general, efficient method to completely describe the topology of individual grains, bubbles, and cells in three-dimensional polycrystals, foams, and other multicellular microstructures. This approach is applied to a pair of…
This paper introduces a new open-source software program called VoroTop, which uses Voronoi topology to analyze local structure in atomic systems. Strengths of this approach include its abilities to analyze high-temperature systems and to…
The recent decades have seen various attempts at accelerating the process of developing materials targeted towards specific applications. The performance required for a particular application leads to the choice of a particular material…
The Voronoi tessellation is a natural way of space segmentation, which has many applications in various fields of science and technology, as well as in social sciences and visual art. The varieties of the Voronoi tessellation methods are…
Micro-structured materials consisting of an array of microstructures are engineered to provide the specific material properties. This present work investigates the design of cellular materials under the framework of level set, so as to…
Synthesis of rationally designed nanostructured materials with optimized mechanical properties, e.g., high strength with considerable ductility, requires rigorous control of diverse microstructural parameters including the mean size, size…