arXiv subjects

Hans Fangohr

Publications and source records attributed to Hans Fangohr.

At least 19 recordsLinked to original sources

arXiv2026

A Community-Developed Domain Ontology for Magnetic Materials

Magnetic materials play a crucial role in energy-related technologies, mobility, and sensing, but their complex multiscale behaviour and the coexistence of multiple unit systems pose persistent challenges for data exchange and interpretation. This paper presents a domain ontology for magnetic materials, developed within the European Union funded Magnetic Multiscale Modelling Suite (MaMMoS) project and aligned with the Elementary Multiperspective Material Ontology (EMMO). The ontology formalises intrinsic, hysteretic, and microstructural properties across multiple length scales and supports semantic interoperability between simulation tools, databases, and experimental workflows. One key feature of the ontology is its code-based and human-readable structure, enabled through the EMMOntoPy framework, which allows for direct manipulation and versioning without relying on opaque .owl or .ttl files. This facilitates collaborative development and improves transparency. The ontology supports FAIR (Findable, Accessible, Interoperable, Reusable) principles and is openly available for extension by the community. The aim of the MaMMoS project is to foster reproducibility, improve traceability, and promote the adoption of ontology in the magnetism domain. The ontology that has been developed already serves as the foundation for multiple software tools that handle all kinds of magnetic material data.

cond-mat.mtrl-sci↗

arXiv2026

Beyond Stoner-Wohlfarth: Machine-Learning Models and Symbolic Regression of Hard-Magnet Properties

Predicting the extrinsic properties from hysteresis loops of a magnetic grain, namely the coercive field, remanent magnetisation, and maximum energy product, from its intrinsic micromagnetic parameters is a central problem in permanent-magnet modelling. Established analytical models provide useful estimates but often neglect nonuniform magnetisation processes, whereas direct micromagnetic simulations are computationally expensive. In this work, we train machine-learning models on 12012 micromagnetic simulations of an idealised cubic grain, spanning broad ranges of the saturation magnetisation, exchange constant, and uniaxial anisotropy constant. Benchmarked against the analytical models on identical held-out data, the machine-learning models predict all three extrinsic properties with substantially lower errors. Symbolic regression recovers the Kronmüller form of the coercive field, with an effective demagnetising factor that depends on the material, and finds new closed-form expressions for the remanence and maximum energy product. Each law contains at most two fitted constants yet approaches the accuracy of the machine-learning models. We also investigate the inverse problem of recovering the intrinsic parameters from the three extrinsic properties. The saturation magnetisation and anisotropy constant are recovered accurately, whereas the exchange constant is not, because it influences the extrinsic properties only weakly. The trained models are released through the mammos-ai Python package, enabling thousands of candidate parameter sets to be screened in seconds rather than the hours or days required by direct micromagnetic simulation.

cond-mat.str-el↗

arXiv2026

Eigenmodes of synthetic antiferromagnetic skyrmions

We investigate the excitation modes of confined synthetic-antiferromagnetic (SAF) skyrmions using micromagnetic eigenvalue and ringdown simulations. Starting from a single skyrmion in a ferromagnetic layer, where the lowest-frequency modes are a gyrotropic and a breathing mode, we study how antiferromagnetic interlayer coupling modifies the dynamics in SAF bilayers. We consider several geometries: single SAF skyrmions in square and rectangular confinement, unequal layer thicknesses, and strips containing multiple skyrmions. The antiferromagnetic coupling strongly modifies the low-frequency dynamics. The square geometry exhibits two nearly degenerate gyrotropic modes, where in each both layers have the same rotation sense. In rectangular geometries, we instead find nearly linear SAF skyrmion translation emerging from opposite gyration sense in the two layers. These translational modes become the characteristic low-frequency excitations of SAF skyrmion chains. For skyrmion chains, we identify collective translational and breathing modes with standing-wave-like spatial profiles. Beyond ferromagnetic-like breathing modes, the SAF geometry supports breathing oscillations in which the two layers oscillate out of phase. We further demonstrate signal propagation along extended SAF skyrmion chains with propagation velocities comparable to ferromagnetic skyrmion chains. These results provide a systematic description of the collective dynamics of SAF skyrmions arising from the interplay of geometric confinement, intralayer, and interlayer coupling.

cond-mat.mes-hall↗

arXiv2025

Simulating Bloch points using micromagnetic and Heisenberg models

Magnetic Bloch points (BPs) are highly confined magnetization configurations, that often occur in transient spin dynamics processes. However, opposing chiralities of adjacent layers for instance in a FeGe bilayer stack can stabilize such magnetic BPs at the layer interface. These BPs configurations are metastable and consist of two coupled vortices (one in each layer) with same circularity and opposite polarity. Each vortex is stabilized by opposite sign Dzyaloshinskii-Moriya interactions. This stabilization mechanism potentially opens the door towards BP-based spintronic applications. An open question, from a methodological point of view, is whether the Heisenberg (HB) model approach (atomistic model) as to be used to study such systems or if the -- computationally more efficient -- micromagnetic (MM) models can be used and still obtain robust results. We are modelling and comparing the energetics and dynamics of a stable BP obtained using both HB and MM approaches. We find that an MM description of a stable BP leads qualitatively to the same results as the HB description, and that an appropriate mesh discretization plays a more important role than the chosen model. Further, we study the dynamics by shifting the BP with an applied in-plane field and investigating the relaxation after switching the filed off abruptly. The precessional motion of coupled vortices in a BP state can be drastically reduced compared to a classical vortex, which may be also an interesting feature for fast and efficient devices. A recent study has shown that a bilayer stack hosting BPs can be used to retain information [1].

cond-mat.mtrl-sci↗

arXiv2024

Discretization anisotropy in micromagnetic simulations

Finite difference based micromagnetic simulations are a powerful tool for the computational investigation of magnetic structures. In this paper, we demonstrate how the discretization of continuous micromagnetic equations introduces a numerical 'discretization anisotropy'. We demonstrate that, in certain scenarios, this anisotropy operates on an energy scale comparable to that of intrinsic physical phenomena. Furthermore, we illustrate that selecting appropriate finite difference stencils and minimizing the size of the discretization cells are effective strategies to mitigate discretization anisotropy.

cond-mat.mtrl-sci↗

arXiv2024

Analysis of long-lived effects in high-repetition-rate stroboscopic transient X-ray absorption experiments on thin films

Time-resolved X-ray absorption spectroscopy (tr-XAS) has been shown to be a versatile measurement technique for investigating non-equilibrium dynamics. Novel X-ray free electron laser (XFEL) facilities like the European XFEL offer increased repetition rates for stroboscopic XAS experiments through a burst operation mode, which enables measurements with up to 4.5 MHz. These higher repetition rates lead to higher data acquisition rates but can also introduce long-lived excitations that persist and thus build up during each burst. Here, we report on such long-lived effects in Ni and NiO thin film samples that were measured at the European XFEL. We disentangle the long-lived excitations from the initial pump-induced change and perform a detailed modelling-based analysis of how they modify transient X-ray spectra. As a result, we link the long-lived effects in Ni to a local temperature increase, as well as the effects in NiO to excited charge carrier trapping through polaron formation. In addition, we present possible correction methods, as well as discuss ways in which the effects of these long-lived excitations could be minimized for future time-resolved X-ray absorption spectroscopy measurements.

cond-mat.mtrl-sci↗

arXiv2024

NeuralMag: an open-source nodal finite-difference code for inverse micromagnetics

We present NeuralMag, a flexible and high-performance open-source Python library for micromagnetic simulations. NeuralMag leverages modern machine learning frameworks, such as PyTorch and JAX, to perform efficient tensor operations on various parallel hardware, including CPUs, GPUs, and TPUs. The library implements a novel nodal finite-difference discretization scheme that provides improved accuracy over traditional finite-difference methods without increasing computational complexity. NeuralMag is particularly well-suited for solving inverse problems, especially those with time-dependent objectives, thanks to its automatic differentiation capabilities. Performance benchmarks show that NeuralMag is competitive with state-of-the-art simulation codes while offering enhanced flexibility through its Python interface and integration with high-level computational backends.

physics.comp-ph↗

arXiv2024

MicroMagnetic.jl: A Julia package for micromagnetic and atomistic simulations with GPU support

MicroMagnetic.jl is an open-source Julia package for micromagnetic and atomistic simulations. Using the features of the Julia programming language, MicroMagnetic.jl supports CPU and various GPU platforms, including NVIDIA, AMD, Intel, and Apple GPUs. Moreover, MicroMagnetic.jl supports Monte Carlo simulations for atomistic models and implements the Nudged-Elastic-Band method for energy barrier computations. With built-in support for double and single precision modes and a design allowing easy extensibility to add new features, MicroMagnetic.jl provides a versatile toolset for researchers in micromagnetics and atomistic simulations.

cond-mat.mes-hall↗

arXiv2024

Numerical simulation projects in micromagnetics with Jupyter

We report a case study where an existing materials science course was modified to include numerical simulation projects on the micromagnetic behavior of materials. The Ubermag micromagnetic simulation software package is used in order to solve problems computationally. The simulation software is controlled through Python code in Jupyter notebooks. Our experience is that the self-paced problem-solving nature of the project work can facilitate a better in-depth exploration of the course contents. We discuss which aspects of the Ubermag and the project Jupyter ecosystem have been beneficial for the students' learning experience and which could be transferred to similar teaching activities in other subject areas.

physics.ed-ph↗

arXiv2024

Resolving non-equilibrium shape variations amongst millions of gold nanoparticles

Nanoparticles, exhibiting functionally relevant structural heterogeneity, are at the forefront of cutting-edge research. Now, high-throughput single-particle imaging (SPI) with x-ray free-electron lasers (XFELs) creates unprecedented opportunities for recovering the shape distributions of millions of particles that exhibit functionally relevant structural heterogeneity. To realize this potential, three challenges have to be overcome: (1) simultaneous parametrization of structural variability in real and reciprocal spaces; (2) efficiently inferring the latent parameters of each SPI measurement; (3) scaling up comparisons between $10^5$ structural models and $10^6$ XFEL-SPI measurements. Here, we describe how we overcame these three challenges to resolve the non-equilibrium shape distributions within millions of gold nanoparticles imaged at the European XFEL. These shape distributions allowed us to quantify the degree of asymmetry in these particles, discover a relatively stable `shape envelope' amongst nanoparticles, discern finite-size effects related to shape-controlling surfactants, and extrapolate nanoparticles' shapes to their idealized thermodynamic limit. Ultimately, these demonstrations show that XFEL SPI can help transform nanoparticle shape characterization from anecdotally interesting to statistically meaningful.

cond-mat.mes-hall↗

arXiv2023

Controlling stable Bloch points with electric currents

The Bloch point is a point singularity in the magnetisation configuration, where the magnetisation vanishes. It can exist as an equilibrium configuration and plays an important role in many magnetisation reversal processes. In the present work, we focus on manipulating Bloch points in a system that can host stable Bloch points - a two-layer FeGe nanostrip with opposite chirality of the two layers. We drive Bloch points using spin-transfer torques and find that Bloch points can move collectively without any Hall effect and report that Bloch points are repelled from the sample boundaries and each other. We study pinning of Bloch points at wedge-shaped constrictions (notches) in the nanostrip and demonstrate that arrays of Bloch points can be moved past a series of notches in a controlled manner by applying consecutive current pulses of different strength. Finally, we simulate a T-shaped geometry and demonstrate that a Bloch point can be moved along different paths by applying current between suitable strip ends.

cond-mat.mes-hall↗

arXiv2023

Coarse-graining collective skyrmion dynamics in confined geometries

Magnetic skyrmions are magnetic quasi-particles with enhanced stability and different manipulation mechanisms using external fields and currents making them promising candidates for future applications for instance in neuromorphic computing. Recently, several measurements and simulations have shown that thermally activated skyrmions in confined geometries, as they are necessary for device applications, arrange themselves predominantly based on commensurability effects. In this simulational study, based on the Thiele model, we investigate the enhanced dynamics and degenerate non-equilibrium steady state of a system in which the intrinsic skyrmion-skyrmion and skyrmion-boundary interaction compete with thermal fluctuations as well as current-induced spin-orbit torques. The investigated system is a triangular-shaped confinement geometry hosting four skyrmions, where we inject spin-polarized currents between two corners of the structure. We coarse-grain the skyrmion states in the system to analyze the intricacies of skyrmion arrangements of the skyrmion ensemble. In the context of neuromorphic computing, such methods address the key challenge of optimizing read-out positions in confined geometries and form the basis to understand collective skyrmion dynamics in systems with competing interactions on different scales.

cond-mat.mtrl-sci↗

arXiv2023

Machine learning-based spin structure detection

One of the most important magnetic spin structure is the topologically stabilised skyrmion quasi-particle. Its interesting physical properties make them candidates for memory and efficient neuromorphic computation schemes. For the device operation, detection of the position, shape, and size of skyrmions is required and magnetic imaging is typically employed. A frequently used technique is magneto-optical Kerr microscopy where depending on the samples material composition, temperature, material growing procedures, etc., the measurements suffer from noise, low-contrast, intensity gradients, or other optical artifacts. Conventional image analysis packages require manual treatment, and a more automatic solution is required. We report a convolutional neural network specifically designed for segmentation problems to detect the position and shape of skyrmions in our measurements. The network is tuned using selected techniques to optimize predictions and in particular the number of detected classes is found to govern the performance. The results of this study shows that a well-trained network is a viable method of automating data pre-processing in magnetic microscopy. The approach is easily extendable to other spin structures and other magnetic imaging methods.

cs.LG↗

arXiv2023

Photon shot-noise limited transient absorption soft X-ray spectroscopy at the European XFEL

Femtosecond transient soft X-ray Absorption Spectroscopy (XAS) is a very promising technique that can be employed at X-ray Free Electron Lasers (FELs) to investigate out-of-equilibrium dynamics for material and energy research. Here we present a dedicated setup for soft X-rays available at the Spectroscopy & Coherent Scattering (SCS) instrument at the European X-ray Free Electron Laser (EuXFEL). It consists of a beam-splitting off-axis zone plate (BOZ) used in transmission to create three copies of the incoming beam, which are used to measure the transmitted intensity through the excited and unexcited sample, as well as to monitor the incoming intensity. Since these three intensity signals are detected shot-by-shot and simultaneously, this setup allows normalized shot-by-shot analysis of the transmission. For photon detection, the DSSC imaging detector, which is capable of recording up to 800 images at 4.5 MHz frame rate during the FEL burst, is employed and allows approaching the photon shot-noise limit. We review the setup and its capabilities, as well as the online and offline analysis tools provided to users.

physics.ins-det↗

arXiv2022

Skyrmion automotion in confined counter-sensor device geometries

Magnetic skyrmions are topologically stabilized quasi-particles and are promising candidates for energy-efficient applications, such as storage but also logic and sensing. Here we present a new concept for a multi-turn sensor-counter device based on skyrmions, where the number of sensed rotations is encoded in the number of nucleated skyrmions. The skyrmion-boundary force in the confined geometry of the device in combination with the topology-dependent dynamics leads to the effect of automotion for certain geometries. For our case, we describe and investigate this effect with micromagnetic simulations and the coarse-grained Thiele equation in a triangular geometry with an attached reservoir as part of the sensor-counter device.

cond-mat.mes-hall↗

arXiv2022

The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni

The complex electronic structure of metallic ferromagnets is determined by a balance between exchange interaction, electron hopping leading to band formation, and local Coulomb repulsion. The interplay between the respective terms of the Hamiltonian is of fundamental interest, since it produces most, if not all, of the exotic phenomena observed in the solid state. By combining high energy and temporal resolution in femtosecond time-resolved X-ray absorption spectroscopy with ab initio time-dependent density functional theory we analyze the electronic structure in fcc Ni on the time scale of these interactions in a pump-probe experiment. We distinguish transient broadening and energy shifts in the absorption spectra, which we demonstrate to be caused by electron repopulation and correlation-induced modifications of the electronic structure, respectively. Importantly, the theoretical description of this experimental result hence requires to take the local Coulomb interaction into account, revealing a temporal interplay between band formation, exchange interaction, and Coulomb repulsion.

cond-mat.mtrl-sci↗

arXiv2022

Bloch points in nanostrips

Complex magnetic materials hosting topologically non-trivial particle-like objects such as skyrmions are under intensive research and could fundamentally change the way we store and process data. One important class of materials are helimagnetic materials with Dzyaloshinskii-Moriya interaction. Recently, it was demonstrated that nanodisks consisting of two layers with opposite chirality can host a single stable Bloch point of two different types at the interface between the layers. Using micromagnetic simulations we show that FeGe nanostrips consisting of two layers with opposite chirality can host multiple coexisting Bloch points in an arbitrary combination of the two different types. We show that the number of Bloch points that can simultaneously coexist depends on the strip geometry and the type of the individual Bloch points. Our simulation results allow us to predict strip geometries suitable for an arbitrary number of Bloch points. We show an example of an 80-Bloch-point configuration verifying the prediction.

cond-mat.mes-hall↗

arXiv2022

Megahertz-rate Ultrafast X-ray Scattering and Holographic Imaging at the European XFEL

The advent of X-ray free-electron lasers (XFELs) has revolutionized fundamental science, from atomic to condensed matter physics, from chemistry to biology, giving researchers access to X-rays with unprecedented brightness, coherence, and pulse duration. All XFEL facilities built until recently provided X-ray pulses at a relatively low repetition rate, with limited data statistics. Here, we present the results from the first megahertz repetition rate X-ray scattering experiments at the Spectroscopy and Coherent Scattering (SCS) instrument of the European XFEL. We illustrate the experimental capabilities that the SCS instrument offers, resulting from the operation at MHz repetition rates and the availability of the novel DSSC 2D imaging detector. Time-resolved magnetic X-ray scattering and holographic imaging experiments in solid state samples were chosen as representative, providing an ideal test-bed for operation at megahertz rates. Our results are relevant and applicable to any other non-destructive XFEL experiments in the soft X-ray range.

cond-mat.mes-hall↗