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Atomistic simulations of matter, especially those that leverage first-principles (ab initio) electronic structure theory, provide a microscopic view of the world, underpinning much of our understanding of chemistry and materials science. Over the last decade or so, machine-learned force fields have transformed atomistic modeling by enabling simulations of ab initio quality over unprecedented time and length scales. However, early machine-learning (ML) force fields have largely been limited by (i) the substantial computational and human effort required to develop and validate potentials for each particular system of interest and (ii) a general lack of transferability from one chemical system to the next. Here, we show that it is possible to create a general-purpose atomistic ML model, trained on a public dataset of moderate size, that is capable of running stable molecular dynamics for a wide range of molecules and materials. We demonstrate the power of the MACE-MP-0 model—and its qualitative and at times quantitative accuracy—on a diverse set of problems in the physical sciences, including properties of solids, liquids, gases, chemical reactions, interfaces, and even the dynamics of a small protein. The model can be applied out of the box as a starting or “foundation” model for any atomistic system of interest and, when desired, can be fine-tuned on just a handful of application-specific data points to reach ab initio accuracy. Establishing that a stable force-field model can cover almost all materials changes atomistic modeling in a fundamental way: experienced users obtain reliable results much faster, and beginners face a lower barrier to entry. Foundation models thus represent a step toward democratizing the revolution in atomic-scale modeling that has been brought about by ML force fields.
The higher classification of termites requires substantial revision as the Neoisoptera, the most diverse termite lineage, comprise many paraphyletic and polyphyletic higher taxa. Here, we produce an updated termite classification using genomic-scale analyses. We reconstruct phylogenies under diverse substitution models with ultraconserved elements analyzed as concatenated matrices or within the multi-species coalescence framework. Our classification is further supported by analyses controlling for rogue loci and taxa, and topological tests. We show that the Neoisoptera are composed of seven family-level monophyletic lineages, including the Heterotermitidae Froggatt, Psammotermitidae Holmgren, and Termitogetonidae Holmgren, raised from subfamilial rank. The species-rich Termitidae are composed of 18 subfamily-level monophyletic lineages, including the new subfamilies Crepititermitinae, Cylindrotermitinae, Forficulitermitinae, Neocapritermitinae, Protohamitermitinae, and Promirotermitinae; and the revived Amitermitinae Kemner, Microcerotermitinae Holmgren, and Mirocapritermitinae Kemner. Building an updated taxonomic classification on the foundation of unambiguously supported monophyletic lineages makes it highly resilient to potential destabilization caused by the future availability of novel phylogenetic markers and methods. The taxonomic stability is further guaranteed by the modularity of the new termite classification, designed to accommodate as-yet undescribed species with uncertain affinities to the herein delimited monophyletic lineages in the form of new families or subfamilies.
Die Überwachung von Bauteilen aus Stahl- oder Spannbeton mit Ultraschall hat in Labor- und Technikumsversuchen schon vielversprechende Ergebnisse gezeigt. Besonders gute Resultate wurden dabei mit eingebetteten Ultraschalltrans-ducern und bei Auswertung der Daten mit der hochsensiblen Codawelleninterferometrie erzielt. Erfasst werden können neben Temperatur- und Feuchteeffekten auch Belastungszustände und jegliche Art von Schädigung, die mit Mikro- oder Makrorissbildung einhergeht.
Seit 2019 untersucht die DFG-Forschergruppe 2825 „CoDA“ (Sprecher: Prof. Christoph Gehlen, TU München) ver-schiedenste Aspekte dieser innovativen Technologie mit dem Ziel, Einflussgrößen quantitativ zu erfassen, Umweltein-flüsse zu korrigieren und 3D-Auswerteverfahren zu verbessern. Final soll eine am Bauwerk einsatzfähige Methode ent-stehen, die klassische Monitoringverfahren ergänzt und erweitert sowie Input zu einem Update des statischen Systems liefert.
Aufgaben der BAM in der Forschergruppe ist neben Verbesserung und Adaptierung der Messsystem und Sensorik auch Langzeitversuche an einem Großobjekt und Testinstallationen an Realbauwerken. Hierzu liegen erste Ergebnisse vor, die zeigen, dass die Technologie auch außerhalb des Labors einsatzfähig ist.
Due to the high sensitivity of coda waves to the smallest structural alterations such as strain, humidity or temperature changes, ultrasonic waves are a valid means to examine entire structures employing networks of ultrasonic transducers. In order to substantiate this ex ante assessment, the viability of measuring ultrasonic waves as a valid point of reference and inference for structural changes is to be further scrutinized in this work. In order to investigate the influence of mechanical strain on ultrasonic signals, a four-point bending test was carried out on a reinforced concrete beam at Ruhr University Bochum. Thus, measurements collected from a network of selected transducer pairings arranged across the central, shear-free segment of the test specimen, were correlated to their respective strain fields. Detected ultrasonic signals were evaluated employing Coda Wave Interferometry. Such analysis comprised the initial non-cracked state as well as later stages with incremental crack depth and quantity. It was to ascertain that the test specimen can in fact be qualitatively compartmentalized into areas of compression and tension identified via Relative Velocity Changes presented in Attribute Maps. However, since results did not entail a zero crossing, i.e., neither positive nor negative values were to be calculated, only relative changes in this work displayed staggered over the height of the object under test, are discussed. Under the given methodological premises, additional information is currently required to make quantitative assertions regarding this correlation of ultrasonic and strain results. This holds true for the comparability of the ultrasonic and strain results for both non-cracked and even the cracked state.
The integral collection of information such as strains, cracks, or temperatures by ultrasound offers the best prerequisites to monitor structures during their lifetime. In this paper, a novel approach is proposed which uses the collected information in the coda of ultrasonic signals to infer the condition of a structure. This approach is derived from component tests on a reinforced concrete beam subjected to four-point bending in the lab at Ruhr University Bochum. In addition to ultrasonic measurements, strain of the reinforcement is measured with fiber optic sensors. Approached by the methods of moment-curvature relations, the steel strains serve as a reference for velocity changes of the coda waves. In particular, a correlation between the relative velocity change and the average steel strain in the reinforcement is derived that covers 90% of the total bearing capacity. The purely empirical model yields a linear function with a high level of accuracy (R 2 =0.99, R2=0.99, RMSE≈90μ
RMSE≈90μ strain).
Establishing ZIF‐8 as a reference material for hydrogen cryoadsorption: An interlaboratory study
(2024)
Hydrogen storage by cryoadsorption on porous materials has the advantages of low material cost, safety, fast kinetics, and high cyclic stability. The further development of this technology requires reliable data on the H2 uptake of the adsorbents, however, even for activated carbons the values between different laboratories show sometimes large discrepancies. So far no reference material for hydrogen cryoadsorption is available. The metal‐organic framework ZIF‐8 is an ideal material possessing high thermal, chemical, and mechanical stability that reduces degradation during handling and activation. Here, we distributed ZIF‐8 pellets synthesized by extrusion to 9 laboratories equipped with 15 different experimental setups including gravimetric and volumetric analyzers. The gravimetric H2 uptake of the pellets was measured at 77 K and up to 100 bar showing a high reproducibility between the different laboratories, with a small relative standard deviation of 3–4 % between pressures of 10–100 bar. The effect of operating variables like the amount of sample or analysis temperature was evaluated, remarking the calibration of devices and other correction procedures as the most significant deviation sources. Overall, the reproducible hydrogen cryoadsorption measurements indicate the robustness of the ZIF‐8 pellets, which we want to propose as a reference material.
Phylogenetic trees are typically reconstructed using conserved sequence alignments. Other genomic elements, such as transposable elements (TEs), make up a large fraction of eukaryotic genomes but are ignored for phylogenetic reconstruction, despite potentially containing phylogenetic information, which could be used to resolve nodes that remain contentious. Here, we reconstructed accurate phylogenetic trees of 45 termites and two cockroaches using two types of characters derived from the TE landscape: (1) genome-wide presence and absence of 37,966 TE families and (2) presence/absence data of 37,966 TE families in the flanking regions of orthologous ultraconserved elements (UCEs), which was a proxy for TE insertions. The topologies of our TE-based phylogenetic trees were largely congruent with phylogenetic trees inferred from alignments of UCEs and single-copy orthologous genes, only differing for a few nodes variably reconstructed in other phylogenetic analyses. Notably, trees based on genome-wide TE family composition were more accurate than trees inferred from mitochondrial genome alignments, and trees based on TE family composition in regions flanking UCEs achieved comparable accuracy with trees inferred from single-copy orthologous gene alignments. Our results demonstrate that the TE landscape is phylogenetically informative, representing an additional set of markers for robust phylogenetic reconstructions, with potential use to resolve ambiguous nodes in the tree of life.
Bayesian Tendon Breakage Localization under ModelUncertainty Using Distributed Fiber Optic Sensors
(2026)
This study develops a Bayesian, uncertainty-aware framework for tendon breakage localization in pre-stressed concrete members using high-resolution data from distributed fber-optic sensors (DFOS). DFOS enable full-feldmonitoring of strain changes on the surface of pre-stressed concrete members due to such failure. A fnite elementmodel (FEM) of an experimental tendon-breakage test is constructed, and model parameters are calibrated proba-bilistically against DFOS measurements. To capture model-form uncertainty (MFU), stochastic perturbations areembedded directly into material parameters, enabling the joint inference of physical properties and MFU withina unifed probabilistic framework. Gaussian Process surrogates are employed to effciently emulate the nonlinearFEM response, supporting computationally tractable Bayesian inference. A divergence-based infuence analy-sis identifes the DFOS measurements that most strongly shape the posterior distributions, providing interpretablediagnostics of sensor informativeness and model adequacy. The calibrated parameters and embedded uncertain-ties are then transferred to a FEM of a full-scale structural confguration, enabling prediction of tendon breakagelocalization under realistic conditions. A separability analysis of the predictive strain distributions quantifes theidentifability of tendon breakage at varying depths, assessing the confdence with which different damage sce-narios can be distinguished given the propagated uncertainties. Results demonstrate that the framework achievesrobust parameter calibration, interpretable diagnostics, and uncertainty-informed damage detection, integratingexperimental data, embedded MFU, and probabilistic modeling. By systematically propagating both experimentaland model uncertainties, the approach supports reliable tendon breakage localization, informed decision-making,and optimal DFOS placement.
Unravelling the evolution of wood-feeding in termites with 47 high-resolution genome assemblies
(2025)
Termites are a lineage of social cockroaches abundant in tropical ecosystems where they are key decomposers of organic matter. Despite their ecological significance, only a handful of reference-quality termite genomes have been sequenced, which is insufficient to unravel the genetic mechanisms that have contributed to their ecological success. Here, we perform sequencing and hybrid assembly of 45 taxonomically and ecologically diverse termites and two cockroaches, resulting in haplotype-merged genome assemblies of 47 species, 22 of which were near-chromosome level. Next, we examine the link between termite dietary evolution and major genomic events. We find that Termitidae, which include ~80% of described termite species, have larger genomes with more genes and a higher proportion of transposons than other termites. Our analyses identify a gene number expansion early in the evolution of Termitidae, including an expansion of the repertoire of CAZymes, the genes involved in lignocellulose degradation. Notably, this expansion of genomes and gene repertoires coincided with the origin of soil-feeding in Termitidae and remained unchanged in lineages that secondarily reverted to a wood-based diet. Overall, our sequencing effort multiplies the number of available termite genomes by six and provides insights into the genome evolution of an ancient lineage of social insects.
