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The structural properties, and the intracrystalline swelling of Na+-, and Ca2+-montmorillonite (Na-, and Ca-mmt) have been investigated as an effect of decreasing the relative permittivity of the solvent, i.e. from water to ethanol (EtOH), utilizing the experimental techniques; small angle X-ray scattering (SAXS) and osmotic pressure measurements. The experimental data were compared with the conti
Using state-of-the-art X-ray tomographic microscopy we can image lung tissue in three dimensions in intact animals down to a micrometer precision. The structural complexity and hierarchical branching scheme of the lung at this level of details, however, renders the extraction of biologically relevant quantities particularly challenging. We have developed a methodology for a detailed description of
In ultrarelativistic heavy-ion collisions, the event-by-event variation of the elliptic flow v2 reflects fluctuations in the shape of the initial state of the system. This allows to select events with the same centrality but different initial geometry. This selection technique, Event Shape Engineering, has been used in the analysis of charge-dependent two- and three-particle correlations in Pb–Pb
We have studied whether calculations of the binding free energy of small ligands to a protein by the MM/GBSA approach (molecular mechanics combined with generalized Born and surface area solvation) can be sped up by including only a restricted number of atoms close to the ligand. If the protein is truncated before the molecular dynamics (MD) simulations, quite large changes are observed for the ca
In this paper, we present a time-recursive implementation of a recent hyperparameter-free group-sparse estimation technique. This is achieved by reformulating the original method, termed group-SPICE, as a square-root group-LASSO with a suitable regularization level, for which a time-recursive implementation is derived. Using a proximal gradient step for lowering the computational cost, the propose
There is a widening gap between the fast advancement of computational methods for tomographic reconstruction and their successful implementation in production software at various synchrotron facilities. This is due in part to the lack of readily available instrument datasets and phantoms representative of real materials for validation and comparison of new numerical methods. Recent advancements in
We consider adaptive time discretization methods for ordinary differential equations where one aims to control the error in a quantity of interest of the form J(u) = ∫ j(u(t))dt with j : Rd -> R. In this setting we propose a new timestep controller based on local error estimates of the quantity of interest. The new method converges when the tolerance goes to zero.We experimentally compare the new
Invariant differential yields of deuterons and antideuterons in pp collisions at s = 0.9, 2.76 and 7 TeV and the yields of tritons, He3 nuclei, and their antinuclei at s = 7 TeV have been measured with the ALICE detector at the CERN Large Hadron Collider. The measurements cover a wide transverse momentum (pT) range in the rapidity interval |y|
Context. The Gaia-ESO Public Spectroscopic Survey is an ambitious project designed to obtain astrophysical parameters and elemental abundances for 100 000 stars, including large representative samples of the stellar populations in the Galaxy, and a well-defined sample of 60 (plus 20 archive) open clusters. We provide internally consistent results calibrated on benchmark stars and star clusters, ex
A continuum damage framework is proposed for modelling the delamination process occurring in paperboard during mechanical loading. The main application of interest is line creasing and subsequent line folding used in package forming. To adequately capture creasing and folding, a continuum damage framework that uses a single isotropic damage variable that evolves with the plastic strains associated
Sex-limited morphs can provide profound insights into the evolution and genomic architecture of complex phenotypes. Inter-sexual mimicry is one particular type of sex-limited polymorphism in which a novel morph resembles the opposite sex. While inter-sexual mimics are known in both sexes and a diverse range of animals, their evolutionary origin is poorly understood. Here, we investigated the genom
Bacterial colonization is mediated by fimbriae, which are thin hair-like appendages dispersed from the bacterial surface. The aggregative adherence fimbriae from enteroaggregative E. coli are secreted through the outer membrane and consist of polymerized minor and major pilin subunits. Currently, the understanding of the structural morphology and the role of the minor pilin subunit in the polymeri
High-resolution time-frequency (TF) images of multi-component signals are of great interest for visualization, feature extraction and estimation. The matched Gaussian multitaper spectrogram has been proposed to optimally resolve multi-component transient functions of Gaussian shape. Hermite functions are used as multitapers and the weights of the different spectrogram functions are optimized. For
Research in community ecology has tended to focus on trophic interactions (e.g., predation, resource competition) as driving forces of community dynamics, and sexual interactions have often been overlooked. Here we discuss how sexual interactions can affect community dynamics, especially focusing on frequency-dependent dynamics of horizontal communities (i.e., communities of competing species in a
Ideal minimum-energy grain boundary (GB) structures are usually the only ones considered when characterizing GBs. This limited perspective provides an incomplete view of the possible structural variability of GBs. In the present study, phase field crystal (PFC) simulations are employed in a systematic search of GB states based on -surface sampling, demonstrating PFC to be a capable tool for this p
The dissociative double photoionization of isoxazole molecules has been investigated experimentally and theoretically. The experiment has been carried out in the 27.5-36 eV photon energy range using vacuum ultraviolet (VUV) synchrotron radiation excitation combined with ion time-of-flight (TOF) spectrometry and photoelectron-photoion-photoion coincidence (PEPIPICO) technique. Five well-resolved tw
We present new maps of the Milky Way disk showing the distribution of metallicity ([Fe/H]), α-element abundances ([Mg/Fe]), and stellar age, using a sample of 66,496 red giant stars from the final data release (DR17) of the Apache Point Observatory Galactic Evolution Experiment survey. We measure radial and vertical gradients, quantify the distribution functions for age and metallicity, and explor
