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Measuring the similarity between two arbitrary crystal structures is a common challenge in crystallography and materials science. Although there are an infinite number of ways to mathematically relate two crystal structures, only a few are physically meaningful. Here we introduce both a geometry-based and a symmetry-adapted similarity metric to compare crystal structures. Using crystal symmetry and combinatorial optimization we describe an algorithm to arrive at the structural relationship that minimizes these similarity metrics across all possible maps between any pair of crystal structures. The approach makes it possible to (i) identify pairs of crystal structures that are identical, (ii) quantitatively measure the similarity between crystal structures, and (iii) find and rank structural transformation pathways between any pair of crystal structures. We discuss the advantages of using the symmetry-adapted cost metric over the geometric cost. Finally, we show that all known structural transformation pathways between common crystal structures are recovered with the mapping algorithm. The methodology presented in this study will be of value to efforts that seek to catalogue crystal structures, identify structural transformation pathways or prune large first-principles datasets used to parameterize on-lattice Hamiltonians.

 

In this work, we demonstrate that damage mechanism identification from acoustic emission (AE) signals generated in minicomposites with elastically similar constituents is possible. AE waveforms were generated by SiC/SiC ceramic matrix minicomposites (CMCs) loaded under uniaxial tension and recorded by four sensors (two models with each model placed at two ends). Signals were encoded with a modified partial power scheme and subsequently partitioned through spectral clustering. Matrix cracking and fiber failure were identified based on the frequency information contained in the AE event they produced, despite the similar constituent elastic properties of the matrix and fiber. Importantly, the resultant identification of AE events closely followed CMC damage chronology, wherein early matrix cracking is later followed by fiber breaks, even though the approach is fully domain-knowledge agnostic. Additionally, the partitions were highly precise across both the model and location of the sensors, and the partitioning was repeatable. The presented approach is promising for CMCs and other composite systems with elastically similar constituents.

 

Abstract Damage mechanism identification has scientific and practical ramifications for the structural health monitoring, design, and application of composite systems. Recent advances in machine learning uncover pathways to identify the waveform-damage mechanism relationship in higher-dimensional spaces for a comprehensive understanding of damage evolution. This review evaluates the state of the field, beginning with a physics-based understanding of acoustic emission waveform feature extraction, followed by a detailed overview of waveform clustering, labeling, and error analysis strategies. Fundamental requirements for damage mechanism identification in any machine learning framework, including those currently in use, under development, and yet to be explored, are discussed.