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Fusion energy is at an important inflection point in its development: multiple government agencies and private companies are now planning fusion pilot plants to deliver electricity to the grid in the next decade. However, realizing fusion…
Two-dimensional (2D) Transition Metal Chalcogenides (TMCs) have attracted tremendous interest from both the scientific and technological communities due to their variety of properties and superior tunability through layer number,…
Colossal magnetoresistance (CMR) is commonly observed in magnetic semiconductors when an external magnetic field is applied, usually accompanied by anomalous resistivity peaks or humps which were previously considered as evidence of a…
Metal-organic frameworks (MOFs) are promising materials for methane capture due to their high surface area and tunable properties. Metal substitution represents a powerful strategy to enhance MOF performance, yet systematic exploration of…
This paper presents an overview of the theories and computer implementation aspects of phase field models (PFM) of fracture. The advantage of PFM over discontinuous approaches to fracture is that PFM can elegantly simulate complicated…
The concepts of Weyl fermions and topological semimetals emerging in three-dimensional momentum space are extensively explored owing to the vast variety of exotic properties that they give rise to. On the other hand, very little is known…
As supercomputers advance towards exascale capabilities, computational intensity increases significantly, and the volume of data requiring storage and transmission experiences exponential growth. Adaptive Mesh Refinement (AMR) has emerged…
Parametric model checking (PMC) computes algebraic formulae that express key non-functional properties of a system (reliability, performance, etc.) as rational functions of the system and environment parameters. In software engineering, PMC…
Dynamical Mean-Field Theory (DMFT) has established itself as a reliable and well-controlled approximation to study correlation effects in bulk solids and also two-dimensional systems. In combination with standard density-functional theory…
Ferromagnetism (FM) is the cornerstone of permanent magnets, data storage and other technologies that directly impact our everyday life by their implementation in standard applications and devices. When downscaling bulk materials into their…
Technologies based on the use of hydrogen are promising for future energy requirements in a more sustainable world. Consequently, modelling fuel cells is crucial, for instance, to optimize their control to achieve excellent performance, to…
Magnetic skyrmions and related topological spin textures have emerged as a central topic in condensed-matter physics, combining fundamental significance with potential for transformative applications in spintronics, magnonics, and beyond.…
Strongly correlated Fermi systems are fundamental systems in physics that are best studied experimentally, which until very recently have lacked theoretical explanations. This review discusses the construction of a theory and the analysis…
The use of topology optimization methods for the design of electric machines has become increasingly popular over the past years. Due to a desired increase in power density and a recent trend to high speed machines, thermal aspects play a…
Accurately predicting when and how materials fail is critical to designing safe, reliable structures, mechanical systems, and engineered components that operate under stress. Yet, fracture behavior remains difficult to model across the…
Transition metal ions play crucial roles in the structure and function of numerous proteins, contributing to essential biological processes such as catalysis, electron transfer, and oxygen binding. However, accurately modeling the…
The existence of high-temperature ferromagnetism in thin films and nanoparticles of oxides containing small quantities of magnetic dopants remains controversial. Some regard these materials as dilute magnetic semiconductors, while others…
In this paper, the impact behaviour of composite laminates is investigated, and their potential for ballistic protection assessed, as a function of the reinforcing materials and structures for three representative fibre-reinforced epoxy…
Half-metallic ferromagnetism (HMFM) occurs rarely in materials and yet offers great potential for spintronic devices. Recent experiments suggest a class of compounds with the `ThCr$_{2}$Si$_{2}$' (122) structure -- isostructural and…
The material point method (MPM) is frequently used to simulate large deformations of nearly incompressible materials such as water, rubber, and undrained porous media. However, MPM solutions to nearly incompressible materials are…