Related papers: Database of novel magnetic materials for high-perf…
The CALPHAD system of fundamental phase-level databases, now known as the Materials Genome, has enabled a mature technology of computational materials design and qualification that has already met the acceleration goals of the national…
Devices based on arrays of interconnected magnetic nano-rings with emergent magnetization dynamics have recently been proposed for use in reservoir computing applications, but for them to be computationally useful it must be possible to…
New hard magnetic materials with zero or low rare earth content are in demand due to the high prices of the rare earth metals. Among the candidates for such materials, we consider MnB, FeB and their alloys, because previous experiments…
The discovery of new materials as well as the determination of a vast set of materials properties for science and technology is a fast growing field of research, with contributions from many groups worldwide. Materials data from individual…
Multiferroic materials, particularly rare-earth orthochromates (RECrO$_3$), have garnered significant interest due to their unique magnetic and electric-polar properties, making them promising candidates for multifunctional devices.…
In this work, we investigate the landscape of quasi-isodynamic stellarators using the near-axis expansion of the magnetic field. Building on recent theoretical developments, we construct a database of more than 800,000 stable, approximately…
In search of novel, improved materials for magnetic data storage and spintronic devices, compounds that allow a tailoring of magnetic domain shapes and sizes are essential. Good candidates are materials with intrinsic anisotropies or…
We introduce AccurateRAG -- a novel framework for constructing high-performance question-answering applications based on retrieval-augmented generation (RAG). Our framework offers a pipeline for development efficiency with tools for raw…
Accelerated design of novel hard coating materials requires state-of-the-art computational tools, which include data-driven techniques, building databases, and training machine learning models against the databases. In this work, we present…
The Nova Synthetic Data Base (NSDB) is presented as the first publicly available database of synthetic spectra for classical nova shells, spanning an unprecedented range of physical parameters (e.g., ejecta mass, chemical composition,…
Rare-earth (RE) based compounds and alloys are of great interest both for their fundamental physical properties and for applications. In order to tailor the required compounds for a specific task, one must be able to predict the energy…
Magnetic materials represent an essential ingredient for the contemporary industry. Apart from common material parameters such as magnetocrystalline anisotropy, coercivity, or saturation magnetization, magnetoelastic behavior is vital for…
A novel strategy of stacking binary magnets to enhance the magneto crystalline anisotropy is explored. This strategy is used in the search for hard magnets by studying FePt/MnGa and FePt/MnAl stacks. The choice of these binaries is…
Accurately predicting magnetic behavior across diverse materials systems remains a longstanding challenge due to the complex interplay of structural and electronic factors and is pivotal for the accelerated discovery and design of…
The optimization of composition and processing to obtain materials that exhibit desirable characteristics has historically relied on a combination of scientist intuition, trial and error, and luck. We propose a methodology that can…
Magnetocaloric materials have received significant attention of research community as they can minimize the use of harmful gases (CFCs, HFCs) and render eco-friendly refrigeration. Heusler alloys (Ni2MnGa) are known for their magnetocaloric…
This work suggests to optimize the geometry of a quadrupole magnet by means of a genetic algorithm adapted to solve multi-objective optimization problems. To that end, a non-domination sorting genetic algorithm known as NSGA-III is used.…
The potential to utilize metal-organic frameworks as a replacement for rare earth materials as well as in technological applications has prompted increased interested in this material class. The simulation of organic materials, including…
Although ferromagnets are found in all kinds of technological applications, only few substances are known to be intrinsically ferromagnetic at room temperature. In the past twenty years, a plethora of new artificial ferromagnetic materials…
Materials databases built from calculations based on density functional approximations play an important role in the discovery of materials with improved properties. Most databases thus constructed rely on the generalized gradient…