Solving Forward and Inverse Problems of Contact Mechanics using Physics-Informed Neural Networks

This paper explores the ability of physics-informed neural networks (PINNs) to solve forward and inverse problems of contact mechanics for small deformation elasticity. We deploy PINNs in a mixed-variable formulation enhanced by output transformation to enforce Dirichlet and Neumann boundary conditions as hard constraints. Inequality constraints of contact problems, namely Karush-Kuhn-Tucker (KKT) type conditions, are enforced as soft constraints by incorporating them into the loss function during network training. To formulate the loss function contribution of KKT constraints, existing approaches applied to elastoplasticity problems are investigated and we explore a nonlinear complementarity problem (NCP) function, namely Fischer-Burmeister, which possesses advantageous characteristics in terms of optimization. Based on the Hertzian contact problem, we show that PINNs can serve as pure partial differential equation (PDE) solver, as data-enhanced forward model, as inverse solver for parameter identification, and as fast-to-evaluate surrogate model. Furthermore, we demonstrate the importance of choosing proper hyperparameters, e.g. loss weights, and a combination of Adam and L-BFGS-B optimizers aiming for better results in terms of accuracy and training time

Food security under high bioenergy demand toward long-term climate goals

Bioenergy is expected to play an important role in the achievement of stringent climate-change mitigation targets requiring the application of negative emissions technology. Using a multi-model framework, we assess the effects of high bioenergy demand on global food production, food security, and competition for agricultural land. Various scenarios simulate global bioenergy demands of 100, 200, 300, and 400 exajoules (EJ) by 2100, with and without a carbon price. Six global energy-economy-agriculture models contribute to this study, with different methodologies and technologies used for bioenergy supply and greenhouse-gas mitigation options for agriculture. We find that the large-scale use of bioenergy, if not implemented properly, would raise food prices and increase the number of people at risk of hunger in many areas of the world. For example, an increase in global bioenergy demand from 200 to 300 EJ causes a − 11% to + 40% change in food crop prices and decreases food consumption from − 45 to − 2 kcal person−1 day−1, leading to an additional 0 to 25 million people at risk of hunger compared with the case of no bioenergy demand (90th percentile range across models). This risk does not rule out the intensive use of bioenergy but shows the importance of its careful implementation, potentially including regulations that protect cropland for food production or for the use of bioenergy feedstock on land that is not competitive with food production

Doubly resonant optical nanoantenna arrays for polarization resolved measurements of surface-enhanced Raman scattering

We report that rhomb-shaped metal nanoantenna arrays support multiple plasmonic resonances, making them favorable bio-sensing substrates. Besides the two localized plasmonic dipole modes associated with the two principle axes of the rhombi, the sample supports an additional grating-induced surface plasmon polariton resonance. The plasmonic properties of all modes are carefully studied by far-field measurements together with numerical and analytical calculations. The sample is then applied to surface-enhanced Raman scattering measurements. It is shown to be highly efficient since two plasmonic resonances of the structure were simultaneously tuned to coincide with the excitation and the emission wave- length in the SERS experiment. The analysis is completed by measuring the impact of the polarization angle on the SERS signal.Comment: 13 pages, 5 figure

Activity and electron donor preference of two denitrifying bacterial strains identified by Raman gas spectroscopy

Human activities have greatly increased the input of reactive nitrogen species into the environment and disturbed the balance of the global N cycle. This imbalance may be offset by bacterial denitrification, an important process in maintaining the ecological balance of nitrogen. However, our understanding of the activity of mixotrophic denitrifying bacteria is not complete, as most research has focused on heterotrophic denitrification. The aim of this study was to investigate substrate preferences for two mixotrophic denitrifying bacterial strains, Acidovorax delafieldii and Hydrogenophaga taeniospiralis, under heterotrophic, autotrophic or mixotrophic conditions. This complex analysis was achieved by simultaneous identification and quantification of H(2), O(2), CO(2), (14)N(2), (15)N(2) and (15)N(2)O in course of the denitrification process with help of cavity-enhanced Raman spectroscopic (CERS) multi-gas analysis. To disentangle electron donor preferences for both bacterial strains, microcosm-based incubation experiments under varying substrate conditions were conducted. We found that Acidovorax delafieldii preferentially performed heterotrophic denitrification in the mixotrophic sub-experiments, while Hydrogenophaga taeniospiralis preferred autotrophic denitrification in the mixotrophic incubation. These observations were supported by stoichiometric calculations. The results demonstrate the prowess of advanced Raman multi-gas analysis to study substrate use and electron donor preferences in denitrification, based on the comprehensive quantification of complex microbial gas exchange processes. SUPPLEMENTARY INFORMATION: The online version contains supplementary material available at 10.1007/s00216-021-03541-y

Fracture hospitalizations between years 2000 and 2007 in Switzerland: a trend analysis

Summary: In Switzerland, the total number and incidence of hospitalizations for major osteoporotic fractures increased between years 2000 and 2007, while hospitalizations due to hip fracture decreased. The cost impact of shorter hospital stays was offset by the increasing cost per day of hospitalization. Introduction: The aim of the study was to establish the trends and epidemiological characteristics of hospitalizations for major osteoporotic fractures (MOF) between years 2000 and 2007 in Switzerland. Methods: Sex- and age-specific trends in the number and crude and age-standardized incidences of hospitalized MOF (hip, clinical spine, distal radius, and proximal humerus) in women and men aged ≥45years were analyzed, together with the number of hospital days and cost of hospitalization, based on data from the Swiss Federal Statistical Office hospital database and population statistics. Results: Between 2000 and 2007, the absolute number of hospitalizations for MOF increased by 15.9% in women and 20.0% in men, mainly due to an increased number of non-hip fractures (+37.7% in women and +39.7% in men). Hospitalizations for hip fractures were comparatively stable (−1.8% in women and +3.3% in men). In a rapidly aging population, in which the number of individuals aged ≥45years grew by 11.1% (women) and 14.6% (men) over the study period, the crude and age-standardized incidences of hospitalizations decreased for hip fractures and increased for non-hip MOF, both in women and men. The length of hospital stay decreased for all MOF in women and men, the cost impact of which was offset by an increase in the daily costs of hospitalization. Conclusions: Between years 2000 and 2007, hospitalizations for MOF continued to increase in Switzerland, driven by an increasing number and incidence of hospitalizations for non-hip fractures, although the incidence of hip fractures has decline

Sequential poly-ubiquitylation by specialized conjugating enzymes expands the versatility of a quality control ubiquitin ligase

The Doa10 quality control ubiquitin (Ub) ligase labels proteins with uniform lysine 48-linked poly-Ub (K48-pUB) chains for proteasomal degradation. Processing of Doa10 substrates requires the activity of two Ub conjugating enzymes. Here we show that the non-canonical conjugating enzyme Ubc6 attaches single Ub molecules not only to lysines but also to hydroxylated amino acids. These Ub moieties serve as primers for subsequent poly-ubiquitylation by Ubc7. We propose that the evolutionary conserved propensity of Ubc6 to mount Ub on diverse amino acids augments the number of ubiquitylation sites within a substrate and thereby increases the target range of Doa10. Our work provides new insights on how the consecutive activity of two specialized conjugating enzymes facilitates the attachment of poly-Ub to very heterogeneous client molecules. Such stepwise ubiquitylation reactions most likely represent a more general cellular phenomenon that extends the versatility yet sustains the specificity of the Ub conjugation system

Author Correction: Observations on early fungal infections with relevance for replant disease in fine roots of the rose rootstock Rosa corymbifera 'Laxa'

The Supplementary Table 2 file published with this Article was incomplete. The Gene Bank Accessions numbers for genes Histone 3 (HIS), partial ß-tubulin (TUB) and translation elongation factor 1-a (TEF) were omitted. The original Supplementary Table 2 file is provided below. This error has now been corrected in the Supplementary Information file that accompanies the original Article

Observations on early fungal infections with relevance for replant disease in fine roots of the rose rootstock Rosa corymbifera 'Laxa'.

Replant disease is a worldwide phenomenon affecting various woody plant genera and species, especially within the Rosaceae. Compared to decades of intensive studies regarding replant disease of apple (ARD), the replant disease of roses (RRD) has hardly been investigated. The etiology of RRD is also still unclear and a remedy desperately needed. In greenhouse pot trials with seedlings of the RRD-sensitive rootstock Rosa corymbifera ‘Laxa’ cultured in replant disease affected soils from two different locations, early RRD symptom development was studied in fine roots. In microscopic analyses we found similarities to ARD symptoms with regards to structural damages, impairment in the root hair status, and necroses and blackening in the cortex tissue. Examinations of both whole mounts and thin sections of fine root segments revealed frequent conspicuous fungal infections in association with the cellular disorders. Particularly striking were fungal intracellular structures with pathogenic characteristics that are described for the first time. Isolated fungi from these tissue areas were identified by means of ITS primers, and many of them were members of the Nectriaceae. In a next step, 35 of these isolates were subjected to a multi-locus sequence analysis and the results revealed that several genera and species were involved in the development of RRD within a single rose plant. Inoculations with selected single isolates (Rugonectria rugulosa and Ilyonectria robusta) in a Perlite assay confirmed their pathogenic relationship to early necrotic host plant reactions, and symptoms were similar to those exhibited in ARD