Frontiers in Materials (Jan 2024)
Modeling a domain wall network in BiFeO3 with stochastic geometry and entropy-based similarity measure
Abstract
A compact and tractable two-dimensional model to generate the topological network structure of domain walls in BiFeO3 thin films is presented in this study. Our method combines the stochastic geometry parametric model of the centroidal Voronoi tessellation optimized using the von Neumann entropy, a novel information-theoretic tool for networks. The former permits the generation of image-based stochastic artificial samples of domain wall networks, from which the network structure is subsequently extracted and converted to the graph-based representation. The von Neumann entropy, which reflects information diffusion across multiple spatiotemporal scales in heterogeneous networks, plays a central role in defining a fitness function. It allows the use of the network as a whole rather than using a subset of network descriptors to search for optimal model parameters. The optimization of the parameters is carried out by a genetic algorithm through the maximization of the fitness function and results in the desired graph-based network connectivity structure. Ground truth empirical networks are defined, and a dataset of network connectivity structures of domain walls in BiFeO3 thin films is undertaken through manual annotation. Both a versatile tool for manual network annotation of noisy images and a new automatic network extraction method for high-quality images are developed.
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