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Horst Hahn

Publications and source records attributed to Horst Hahn.

At least 19 recordsLinked to original sources

Multimodal synthesis of MRI and tabular data with diffusion in a joint latent space via cross-attention

We propose a multimodal latent diffusion model that jointly synthesizes volumetric magnetic resonance imaging (MRI) and tabular clinical data within a shared latent space via cross-attention. This approach enables coherent joint representation learning of MRI and tabular modalities for generative modeling. Our model utilizes a variational autoencoder to fuse the two modalities before diffusion-based synthesis, allowing modality-appropriate reconstruction with separate decoders for MRI and tabular data. We evaluated the framework on data from the German National Cohort (NAKO Gesundheitsstudie), comprising over 10,000 participants with MRI scans and clinical tabular features such as age, sex, body measurements, and ethnicity. The generated MRI volumes exhibited anatomical plausibility and body composition consistent with the synthesized tabular attributes. Quantitative evaluation using Fr\'echet distance and precision-recall metrics confirmed high-fidelity image generation. In the tabular modality, our model outperformed CTGAN across standard evaluation metrics and achieved results comparable to TVAE, demonstrating competitive performance relative to established unimodal baselines. This work is, to our knowledge, the first to demonstrate the feasibility of jointly modeling MRI and mixed-type tabular data in a single latent diffusion framework, offering a proof-of-concept for generating coherent synthetic multimodal patient data and aligning with the broader goal of developing digital twins in healthcare.

eess.IV

Pulsed Laser Template Engineering- PLATEN

Thin films of functional inorganic materials, particularly oxides, play a vital role in optoelectronics, enabling applications that range from active optical components to MEMS-based architectures. Achieving high aspect ratio patterning of these functional materials remains a significant challenge, as many of their constituent elements do not readily form volatile compounds required for conventional reactive ion etch processes. We introduce a novel approach, Pulsed Laser Template ENgineering (PLATEN), which offers a more accessible route for patterning materials that are typically difficult to etch. This technique involves depositing functional films using the Pulsed Laser Deposition (PLD) process onto silicon substrates that have been pre-patterned using reactive ion etching to create high aspect ratio features. Due to the highly forward-directed nature of the PLD process, the deposited films replicate closely the topography of the patterned silicon, without coatings the sidewalls. This process remains effective even at feature sizes down to approximately 50 nm. The oxide films replicate the underlying silicon pattern to a thickness of 80 nm. For thickness beyond 80 nm the patterns develop a waist at the midpoint which scales with film thickness and is not dependent on the feature size. In this paper, we present a detailed analysis of the PLATEN process, including deviations from ideal pattern replication in sub-micron features as a function of film thickness, and demonstrate near single crystalline growth of oxides on the patterned silicon substrate, demonstrating the potential of PLATEN technique for active opto-electronic materials.

cond-mat.mtrl-sci

Epitaxial CeO2 Films as a Host for Quantum Applications

In highly purified host, the coherence of quantum emitters is ultimately limited by hyperfine interactions between the emitter and lattice nuclei possessing non-zero nuclear magnetic moments. This limitation can only be mitigated through isotopic purification. In this work, we investigate CeO2 as a host composed entirely of nuclei with zero nuclear moment. High-quality CeO2 thin films were grown by PLD and doped with Tm and Er ions. Structural characterization using X-ray diffraction, atomic force microscopy, and ion channeling confirms single-crystalline, atomically smooth films with dopants substitutionally incorporated at Ce lattice sites. Photoluminescence lifetime measurements show significantly longer lifetimes for Er-doped CeO2 (2.9 - 5.3 ms) compared with Tm-doped films (14 - 68 {\mu}s). Moreover, the Er-doped PLD films exhibit longer lifetimes at ~1% dopant concentration than previously reported for MBE-grown films. Density functional theory calculations reveal a substantial overlap between unoccupied O 2p and Tm 4f states near the valence band maximum, whereas Er 4f states remain well isolated. This electronic interaction likely introduces non-radiative recombination pathways in Tm-doped CeO2, explaining the reduced lifetimes. These findings highlight the importance of selecting appropriate dopant-host combinations and optimized growth conditions to minimize non-radiative channels for quantum applications.

quant-ph

Fragmenting Diffusion Pathways Confers Extraordinary Radiation Resistance in Refractory Multicomponent Alloys

The accumulation and growth of vacancy clusters under irradiation is a pivotal degradation mode for structural materials in extreme environments. Even tungsten undergoes rapid defect coarsening compromising its integrity. Here we show a tungsten multicomponent alloy that effectively fragments the vacancy diffusion network, kinetically trapping defects within localized domains. This effect originates from a broad spectrum of migration barriers and substantial vacancy-jump heterogeneity, which drives the interconnectivity of diffusion paths below the percolation threshold. Starving clusters of the necessary vacancy supply, irradiation experiments and atomic-scale defect characterizations confirm negligible defect growth as radiation doses increase by four orders of magnitude. These results provide a fundamental paradigm for percolation-engineered kinetics, offering a predictive pathway for tailoring defect diffusion and discovering inherently radiation-tolerant materials.

cond-mat.mtrl-sci

A voltage-responsive strongly dipolar-coupled macrospin network with emergent dynamics for computing

Emergent behavior, which arises from local interactions between simple elements, is pervasive in nature. It underlies the energy-efficient computing in our brains. However, realizing such dynamics in artificial materials, particularly under low-energy stimuli, remains a fundamental challenge. While dipole-dipole interactions are typically suppressed in magnetic storage, here we harness and amplify them to construct a strongly dipolar-coupled network of SmCo5 macrospins at wafer scale, which can exhibit intrinsic interaction-driven collective dynamics in response to voltage pulses. The network combines three essential ingredients: strong dipolar coupling by large single-domain macrospin, giant voltage control of coercivity over nearly 1000-fold, and disordered network topology with frustrated Ising-like energy landscape. When stimulated by 1 V pulses, the network enters a regime where interaction-driven magnetic behaviors emerge, including spontaneous demagnetization, greatly enhanced magnetization modulation, reversible freeze and resume evolution and stochastic convergence toward low-energy magnetic configurations. All these behaviors are completely absent at the single-nanomagnet level. Furthermore, by constructing micromagnetic models of the strongly dipolar-coupled macrospin networks, we show that the resulting nonlinear, high-dimensional collective dynamics, intrinsic to strongly-interacting systems, can enable accurate chaotic Mackey-Glass prediction and multiclass drone-signal classification. Our work establishes the voltage-responsive strongly-coupled SmCo5 network as a mesoscopic platform for probing emergent magnetic dynamics previously inaccessible under ambient conditions. It also suggests a fundamental distinct route towards scalable, low-voltage computing, one rooted in native physical interaction-driven collective dynamics at the network level.

cond-mat.mtrl-sci

Predicting New Research Directions in Materials Science using Large Language Models and Concept Graphs

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs) for the purpose of extracting the main concepts and semantic information from scientific abstracts in the domain of materials science to find links that were not noticed by humans and thus to suggest inspiring near/mid-term future research directions. We show that LLMs can extract concepts more efficiently than automated keyword extraction methods to build a concept graph as an abstraction of the scientific literature. A machine learning model is trained to predict emerging combinations of concepts, i.e. new research ideas, based on historical data. We demonstrate that integrating semantic concept information leads to an increased prediction performance. The applicability of our model is demonstrated in qualitative interviews with domain experts based on individualized model suggestions. We show that the model can inspire materials scientists in their creative thinking process by predicting innovative combinations of topics that have not yet been investigated.

cs.LG

On the Encapsulation of Medical Imaging AI Algorithms

In the context of collaborative AI research and development projects, it would be ideal to have self-contained encapsulated algorithms that can be easily shared between different parties, executed and validated on data at different sites, or trained in a federated manner. In practice, all of this is possible but greatly complicated, because human supervision and expert knowledge is needed to set up the execution of algorithms based on their documentation, possibly implicit assumptions, and knowledge about the execution environment and data involved. We derive and formulate a range of detailed requirements from the above goal and from specific use cases, focusing on medical imaging AI algorithms. Furthermore, we refer to a number of existing APIs and implementations and review which aspects each of them addresses, which problems are still open, and which public standards and ontologies may be relevant. Our contribution is a comprehensive collection of aspects that have not yet been addressed in their entirety by any single solution. Working towards the formulated goals should lead to more sustainable algorithm ecosystems and relates to the FAIR principles for research data, where this paper focuses on interoperability and (re)usability of medical imaging AI algorithms.

cs.SE

High quality superconducting tantalum resonators with beta phase defects

For practical superconducting quantum processors, orders of magnitude improvement in coherence is required, motivating efforts to optimize hardware design and explore new materials. Among the latter, the coherence of superconducting transmon qubits has been shown to improve by forming the qubit capacitor pads from $\alpha$-tantalum, avoiding the meta-stable $\beta$-phase that forms when depositing tantalum at room temperature, and has been previously identified to be a source of microwave losses. In this work, we show lumped element resonators containing $\beta$-phase tantalum in the form of inclusions near the metal-substrate interface with internal quality factors ($Q_\text{i}$) up to $(5.0 \pm 2.5) \times 10^6$ in the single photon regime. They outperform resonators with no sign of the $\beta$-phase in x-ray diffraction and thermal quasi-particle loss. Our results indicate that small concentrations of $\beta$-phase can be beneficial, enhancing critical magnetic fields and potentially, for improving coherence in tantalum based superconducting circuits.

quant-ph

Voltage-driven 90 switching of bulk perpendicular magnetic anisotropy in ferrimagnets

Unravelling the mechanism behind bulk perpendicular magnetic anisotropy (PMA) in amorphous rare earth-transition metal films has proven challenging. This is largely due to the inherent complexity of amorphous structure and the entangled potential origins arising from microstructure and atomic structure factors. Here, we present an approach wherein the magneto-electric effect is harnessed to induce 90{\deg} switching of bulk PMA in Tb-Co films to in-plane directions by applying voltages of only -1.2 V. This manipulation is achieved by voltage-driven insertion of hydrogen atoms into interstitial sites between Tb and Co atoms, which serves as a perturbation to local atomic structure. Using angle-dependent X-ray magnetic circular dichroism, we find that the anisotropy switching originates from the distortion of crystal field around Tb which reorients the alignment of Tb orbital moments. Initially aligned along Tb-Co bonding directions, the easy magnetization axis undergoes reorientation and switches by 90{\deg}, as substantiated by ab-initio calculations. Our study not only concludes the atomic origin of Tb-Co atom bonding configuration in shaping bulk PMA, but also establishes the groundwork for electrically programmable ferrimagnetic spintronics, such as controlling domain wall motion and programming artificial spin textures.

cond-mat.mtrl-sci

Comparison of different automatic solutions for resection cavity segmentation in postoperative MRI volumes including longitudinal acquisitions

In this work, we compare five deep learning solutions to automatically segment the resection cavity in postoperative MRI. The proposed methods are based on the same 3D U-Net architecture. We use a dataset of postoperative MRI volumes, each including four MRI sequences and the ground truth of the corresponding resection cavity. Four solutions are trained with a different MRI sequence. Besides, a method designed with all the available sequences is also presented. Our experiments show that the method trained only with the T1 weighted contrast-enhanced MRI sequence achieves the best results, with a median DICE index of 0.81.

cs.CV

Chemical order transitions within extended interfacial segregation zones in NbMoTaW

Interfacial segregation and chemical short-range ordering influence the behavior of grain boundaries in complex concentrated alloys. In this study, we use atomistic modeling of a NbMoTaW refractory complex concentrated alloy to provide insight into the interplay between these two phenomena. Hybrid Monte Carlo and molecular dynamics simulations are performed on columnar grain models to identify equilibrium grain boundary structures. Our results reveal extended near-boundary segregation zones that are much larger than traditional segregation regions, which also exhibit chemical patterning that bridges the interfacial and grain interior regions. Furthermore, structural transitions pertaining to an A2-to-B2 transformation are observed within these extended segregation zones. Both grain size and temperature are found to significantly alter the widths of these regions. Analysis of chemical short-range order indicates that not all pairwise elemental interactions are affected by the presence of a grain boundary equally, as only a subset of elemental clustering types are more likely to reside near certain boundaries. The results emphasize the increased chemical complexity that is associated with near-boundary segregation zones and demonstrate the unique nature of interfacial segregation in complex concentrated alloys.

cond-mat.mtrl-sci

Tailoring epitaxial growth and magnetism in La1-xSrxMnO3 / SrTiO3 heterostructures via temperature-driven defect engineering

Among the class of strongly-correlated oxides, La1-xSrxMnO3 $-$ a half metallic ferromagnet with a Curie temperature above room temperature $-$ has sparked a huge interest as a functional building block for memory storage and spintronic applications. In this respect, defect engineering has been in the focus of a long-standing quest for fabricating LSMO thin films with highest quality in terms of both structural and magnetic properties. Here, we discuss the correlation between structural defects, such as oxygen vacancies and impurity islands, and magnetism in La0.74Sr0.26MnO3/SrTiO3 (LSMO/STO) epitaxial heterostructures by systematic control of the growth temperature and post-deposition annealing conditions. Upon increasing the growth temperature within the 500 $-$ 700 $^{\circ}$C range, the epitaxial LSMO films experience a progressive improvement in oxygen stoichiometry, leading to enhanced magnetic characteristics. Concurrently, however, the use of a high growth temperature triggers the diffusion of impurities from the bulk of STO, which cause the creation of off-stoichiometric, dendritic-like SrMoOx islands at the film/substrate interface. As a valuable workaround, post-deposition annealing of the LSMO films grown at a relatively-low temperature of about 500 $^{\circ}$C permits to obtain high-quality epitaxy, atomically-flat surface as well as a sharp magnetic transition above room temperature and robust ferromagnetism. Furthermore, under such optimized fabrication conditions possible scenarios for the formation of the magnetic dead layer as a function of LSMO film thickness are discussed. Our findings offer effective routes to finely tailor the complex interplay between structural and magnetic properties of LSMO thin films via temperature-controlled defect engineering.

cond-mat.mtrl-sci

Disconnection-Mediated Twin/Twin-Junction Migration in FCC metals

We present the results of novel, time-resolved, in situ HRTEM observations, molecular dynamics (MD) simulations, and disconnection theory that elucidate the mechanism by which the motion of grain boundaries (GBs) in polycrystalline materials are coupled through disconnection motion/reactions at/adjacent to GB triple junctions (TJs). We focus on TJs composed of a pair of coherent twin boundaries (CTBs) and a {\Sigma}9 GB. As for all GBs, disconnection theory implies that multiple modes/local mechanisms for CTB migration are possible and that the mode selection is affected by the nature of the driving force for migration. While we observe (HRTEM and MD) CTB migration through the motion of pure steps driven by chemical potential jump, other experimental observations (and our simulations) show that stress-driven CTB migration occurs through the motion of disconnections with a non-zero Burgers vector; these are pure-step and twinning-partial CTB migration mechanisms. Our experimental observations and simulations demonstrate that the motion of a GB drags its delimiting TJ and may force the motion of the other GBs meeting at the TJ. Our experiments and simulations focus on two types of TJs composed of a pair of CTBs and a {\Sigma}9 GB; a 107{\deg} TJ readily migrates while a 70{\deg} TJ is immobile (experiment, simulation) in agreement with our disconnection theory even though the intrinsic mobilities of the constituent GBs do not depend on TJ-type. We also demonstrate that disconnections may be formed at TJs (chemical potential jump/stress driven) and at GB/free surface junctions (stress-driven).

cond-mat.mtrl-sci

Complete crystallographic, spin-electronic and magnetic structure of (Co0.2Cr0.2Fe0.2Mn0.2Ni0.2)3O4: Unraveling the suppression of entropy in high entropy oxides

High entropy oxides (HEOs) are a rapidly emerging class of functional materials consisting of multiple principal cations. The original paradigm of HEOs assumes cationic occupations with the highest possible configurational entropy allowed by the composition and crystallographic structure. However, the fundamental question remains on the actual degree of configurational disorder in HEOs, especially, in systems with a low enthalpy barriers for cation anti-site mixing. Considering the experimental limitations due to the presence of multiple principal cations in HEOs, here we utilize a robust and cross-referenced characterization approach using soft X-ray magnetic circular dichroism, hard X-ray absorption spectroscopy, M\"ossbauer spectroscopy, neutron powder diffraction and SQUID magnetometry to study the competition between crystal field stabilization energy and configurational entropy governing the cation occupation in a spinel HEO (S-HEO), (Co$_{0.2}$Cr$_{0.2}$Fe$_{0.2}$Mn$_{0.2}$Ni$_{0.2}$)$_3$O$_4$. In contrast to the previous studies, the derived complete structural and spin-electronic model, (Co$_{0.6}$Fe$_{0.4}$)(Cr$_{0.3}$Fe$_{0.1}$Mn$_{0.3}$Ni$_{0.3}$)$_2$O$_4$, highlights a significant deviation from the hitherto assumed paradigm of entropy-driven non-preferential distribution of cations in HEOs. An immediate correlation of this result can be drawn with bulk as well as the local element specific magnetic properties, which are intrinsically dictated by cationic occupations in spinels. The real local lattice picture presented here provides an alternate viewpoint on ionic arrangement in HEOs, which is of fundamental interest for predicting and designing their structure-dependent functionalities.

cond-mat.mtrl-sci

Emergence of near-boundary segregation zones in face-centered cubic multi-principal element alloys

Grain boundaries have been shown to dramatically influence the behavior of relatively simple materials such as monatomic metals and binary alloys. The increased chemical complexity associated with multi-principal element alloys is hypothesized to lead to new grain boundary phenomena. To explore the relationship between grain boundary structure and chemistry in these materials, hybrid molecular dynamics/Monte Carlo simulations of a faceted {\Sigma}11 <110> tilt boundary, chosen to sample both high- and low-energy boundary configurations, are performed in face-centered cubic CrFeCoNiCu and CrFeCoNi equiatomic alloys. Unexpected enrichment of Fe is discovered in the face-centered cubic regions adjacent to the interface and found to be correlated with a structurally-distinct region of reduced atomic volume. Comparison with the boundary of the same type in monatomic Cu demonstrates that altered near-boundary regions exist in simpler systems as well, with the chemical complexity of the multi-principal element alloys highlighting its existence and importance.

cond-mat.mtrl-sci

Magneto-electric Tuning of Pinning-Type Permanent Magnets through Atomic-Scale Engineering of Grain Boundaries

Pinning-type magnets maintaining high coercivity, i.e. the ability to sustain magnetization, at high temperature are at the core of thriving clean-energy technologies. Among these, Sm2Co17-based magnets are excellent candidates owing to their high-temperature stability. However, despite decades of efforts to optimize the intragranular microstructure, the coercivity currently only reaches 20~30% of the theoretical limits. Here, the roles of the grain-interior nanostructure and the grain boundaries in controlling coercivity are disentangled by an emerging magneto-electric approach. Through hydrogen charging/discharging by applying voltages of only ~ 1 V, the coercivity is reversibly tuned by an unprecedented value of ~ 1.3 T. In situ magneto-structural measurements and atomic-scale tracking of hydrogen atoms reveal that the segregation of hydrogen atoms at the grain boundaries, rather than the change of the crystal structure, dominates the reversible and substantial change of coercivity. Hydrogen lowers the local magnetocrystalline anisotropy and facilitates the magnetization reversal starting from the grain boundaries. Our study reveals the previously neglected critical role of grain boundaries in the conventional magnetisation-switching paradigm, suggesting a critical reconsideration of strategies to overcome the coercivity limits in permanent magnets, via for instance atomic-scale grain boundary engineering.

cond-mat.mtrl-sci

Role of intermediate 4$f$ states in tuning the band structure of high entropy oxides

High entropy oxides (HEOs) are single phase solid solutions consisting of 5 or more cations in approximately equiatomic proportions. In this study, we show reversible control of optical properties in a rare-earth (RE) based HEO-(Ce$_{0.2}$La$_{0.2}$Pr$_{0.2}$Sm$_{0.2}$Y$_{0.2}$)O$_{2-\delta}$ and subsequently utilize a combination of spectroscopic techniques to derive the features of the electronic band structure underpinning the observed optical phenomena. Heat treatment of the HEO under vacuum atmosphere followed by reheat-treatment in air results in a reversible change of the band gap energy, from 1.9 eV to 2.5 eV. The finding is consistent with the reversible changes in the oxidation state and related $f$-orbital occupancy of Pr. However, no pertinent changes in the phase composition or crystal structure is observed upon the vacuum heat treatment. Further annealing of this HEO under H$_2$ atmosphere, followed by reheat-treatment in air, results in even larger but still reversible change of the band gap energy from 1.9 eV to 3.2 eV. This is accompanied by a disorder-order type crystal structure transition and changes in the O 2$p$-RE 5$d$ hybridization evidenced from X-ray absorption near edge spectra (XANES). The O $K$ and RE ${M_{4,5}}$/$L_{3}$ XANES indicate that the presence of Ce and Pr (in 3+/4+) state leads to the formation of intermediate 4$f$ energy levels between the O 2$p$ and RE 5$d$ gap in HEO. It is concluded that heat treatment under reducing/oxidizing atmospheres affects these intermediate levels, thus, offering the possibility to tune the band gap energy in HEO.

cond-mat.mtrl-sci

Magnetic properties of rare earth and transition metal based perovskite type high entropy oxides

High entropy oxides (HEO) are a recently introduced class of oxide materials, which are characterized by a large number of elements (i.e. five or more) sharing one lattice site which crystallize in a single phase structure. One complex example of the rather young HEO family are the rare-earth transition metal perovskite high entropy oxides. In this comprehensive study, we provide an overview over the magnetic properties of three perovskite type high entropy oxides. The compounds have a rare-earth site which is occupied by five different rare-earth elements, while the transition metal site is occupied by a single transition metal. In this way a comparison to the parent binary oxides, namely the orthocobaltites, -chromites and -ferrites is possible. X-ray absorption near edge spectroscopy (XANES), magnetometry and M\"ossbauer spectroscopy are employed to characterize these complex materials. In general, we find surprising similarities to the magnetic properties of the binary oxides, despite the chemical disorder on the rare-earth site. However distinct differences and interesting magnetic properties are also observed such as noncollinearity, spin reorientation transitions as well as large coercive fields of up to 2\,T at ambient temperature. Both the chemical disorder on the RE A-site, and the nature of the TM on the B-site play an important role in the physical properties of these high entropy oxides.

cond-mat.mtrl-sci