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For a very long time, computational approaches to the design of new materials have relied on an iterative process of finding a candidate material and modeling its properties. AI has played a crucial role in this regard, helping to…
We study the vibrational spectra of one-dimensional statically compressed granular crystals (arrays of elastic particles in contact) containing defects. We focus on the prototypical settings of one or two spherical defects (particles of…
We propose efficient algorithms based on a band-limited version of 2D synchrosqueezed transforms to extract mesoscopic and microscopic information from atomic crystal images. The methods analyze atomic crystal images as an assemblage of…
While Cadmium Telluride (CdTe) excels in terms of photon radiation absorption properties and outperforms silicon (Si) in this respect, the crystal growth, characterization and processing into a radiation detector is much more complicated.…
Directed atomic fabrication using an aberration-corrected scanning transmission electron microscope (STEM) opens new pathways for atomic engineering of functional materials. In this approach, the electron beam is used to actively alter the…
Amorphous solids lack long-range order. Therefore identifying structural defects -- akin to dislocations in crystalline solids -- that carry plastic flow in these systems remains a daunting challenge. By comparing many different structural…
Automotive engineering makes extensive use of numerical simulation throughout the design process. The development of numerical models, their validation against experimental tests, and their updating during vehicle and engine projects…
An important aspect of astrophysical MHD turbulence research is developing diagnostics to connect simulations with the observable universe. Turbulent systems are by definition structurally complex in all fluid variables (density, velocity,…
As industrial products become abundant and sophisticated, visual industrial defect detection receives much attention, including two-dimensional and three-dimensional visual feature modeling. Traditional methods use statistical analysis,…
This paper develops a new continuous approach to a similarity between periodic lattices of ideal crystals. Quantifying a similarity between crystal structures is needed to substantially speed up the Crystal Structure Prediction, because the…
In industrial settings, surface defects on steel can significantly compromise its service life and elevate potential safety risks. Traditional defect detection methods predominantly rely on manual inspection, which suffers from low…
A growing number of wind turbines are equipped with vibration measurement systems to enable a close monitoring and early detection of developing fault conditions. The vibration measurements are analyzed to continuously assess the component…
Development of new functional ceramics is important for several applications, including electrochemical batteries and fuel cells. Computational prescreening and selection of such materials can help discover novel materials but is…
Fault diagnosis has attracted extensive attention for its importance in the exceedingly fault management framework for cloud virtualization, despite the fact that fault diagnosis becomes more difficult due to the increasing scalability and…
Software systems are not static, they have to undergo frequent changes to stay fit for purpose, and in the process of doing so, their complexity increases. It has been observed that this process often leads to the erosion of the systems…
The capability to detect boulders on the surface of small bodies is beneficial for vision-based applications such as navigation and hazard detection during critical operations. This task is challenging due to the wide assortment of…
The presence of any type of defect on the glass screen of smart devices has a great impact on their quality. We present a robust semi-supervised learning framework for intelligent micro-scaled localization and classification of defects on a…
We use molecular dynamics to study the ordering of a nematic liquid crystal around a spherical particle or droplet. Homeotropic boundary conditions and strong anchoring create a hedgehog director configuration on the particle surface and in…
Explainable anomaly detection methods often have the capability to identify and spatially localise anomalies within an image but lack the capability to differentiate the type of anomaly. Furthermore, they often require the costly training…
Point defects govern many important functional properties of two-dimensional (2D) materials. However, resolving the three-dimensional (3D) arrangement of these defects in multi-layer 2D materials remains a fundamental challenge, hindering…