Fracture of complex metallic alloys: An atomistic study of model systems

Molecular dynamics simulations of crack propagation are performed for two extreme cases of complex metallic alloys (CMAs): In a model quasicrystal the structure is determined by clusters of atoms, whereas the model C15 Laves phase is a simple periodic stacking of a unit cell. The simulations reveal that the basic building units of the structures also govern their fracture behaviour. Atoms in the Laves phase play a comparable role to the clusters in the quasicrystal. Although the latter are not rigid units, they have to be regarded as significant physical entities.Comment: 6 pages, 4 figures, for associated avi file, see http://www.itap.physik.uni-stuttgart.de/~frohmut/MOVIES/C15.LJ.011.100.av

Dynamic fracture of icosahedral model quasicrystals: A molecular dynamics study

Ebert et al. [Phys. Rev. Lett. 77, 3827 (1996)] have fractured icosahedral Al-Mn-Pd single crystals in ultrahigh vacuum and have investigated the cleavage planes in-situ by scanning tunneling microscopy (STM). Globular patterns in the STM-images were interpreted as clusters of atoms. These are significant structural units of quasicrystals. The experiments of Ebert et al. imply that they are also stable physical entities, a property controversially discussed currently. For a clarification we performed the first large scale fracture simulations on three-dimensional complex binary systems. We studied the propagation of mode I cracks in an icosahedral model quasicrystal by molecular dynamics techniques at low temperature. In particular we examined how the shape of the cleavage plane is influenced by the clusters inherent in the model and how it depends on the plane structure. Brittle fracture with no indication of dislocation activity is observed. The crack surfaces are rough on the scale of the clusters, but exhibit constant average heights for orientations perpendicular to high symmetry axes. From detailed analyses of the fractured samples we conclude that both, the plane structure and the clusters, strongly influence dynamic fracture in quasicrystals and that the clusters therefore have to be regarded as physical entities.Comment: 10 pages, 12 figures, for associated avi files, see http://www.itap.physik.uni-stuttgart.de/~frohmut/MOVIES/emitted_soundwaves.avi and http://www.itap.physik.uni-stuttgart.de/~frohmut/MOVIES/dynamic_fracture.av

Superconducting d-wave stripes in cuprates: Valence bond order coexisting with nodal quasiparticles

We point out that unidirectional bond-centered charge-density-wave states in cuprates involve electronic order in both s- and d-wave channels, with non-local Coulomb repulsion suppressing the s-wave component. The resulting bond-charge-density wave, coexisting with superconductivity, is compatible with recent photoemission and tunneling data and as well as neutron-scattering measurements, once long-range order is destroyed by slow fluctuations or glassy disorder. In particular, the real-space structure of d-wave stripes is consistent with the scanning-tunneling-microscopy measurements on both underdoped Bi2Sr2CaCu2O8+x and Ca2-xNaxCuO2Cl2 of Kohsaka et al. [Science 315, 1380 (2007), arXiv:cond-mat/0703309].Comment: 5 pages, 3 figs, (v2) final version to be published in PR

When resources collide: Towards a theory of coincidence in information spaces

This paper is an attempt to lay out foundations for a general theory of coincidence in information spaces such as the World Wide Web, expanding on existing work on bursty structures in document streams and information cascades. We elaborate on the hypothesis that every resource that is published in an information space, enters a temporary interaction with another resource once a unique explicit or implicit reference between the two is found. This thought is motivated by Erwin Shroedingers notion of entanglement between quantum systems. We present a generic information cascade model that exploits only the temporal order of information sharing activities, combined with inherent properties of the shared information resources. The approach was applied to data from the world's largest online citizen science platform Zooniverse and we report about findings of this case study

Electron-phonon interaction in the three-band model

We study the half-breathing phonon in the three-band model of a high temperature superconductor, allowing for vibrations of atoms and resulting changes of hopping parameters. Two different approaches are compared. From the three-band model a t-J model with phonons can be derived, and phonon properties can be calculated. To make contact to density functional calculations, we also study the three-band model in the Hartree-Fock (HF) approximation. The paramagnetic HF solution, appropriate for the doped cuprates, has similarities to the local-density approximation (LDA). However, in contrast to the LDA, the existence of an antiferromagnetic insulating solution for the undoped system makes it possible to study the softening of the half-breathing phonon under doping. We find that although the HF approximation and the t-J model give similar softenings, these softenings happen in quite different ways. We also find that the HF approximation gives an incorrect doping and q dependence for the softening and too small a width for the (half-)breathing phonon.Comment: 7 pages, RevTeX, 4 eps figure

Finite-Temperature Transition in the Spin-Dimer Antiferromagnet BaCuSi2O6

We consider a classical XY-like Hamiltonian on a body-centered tetragonal lattice, focusing on the role of interlayer frustration. A three-dimensional (3D) ordered phase is realized via thermal fluctuations, breaking the mirror-image reflection symmetry in addition to the XY symmetry. A heuristic field-theoretical model of the transition has a decoupled fixed point in the 3D XY universality, and our Monte Carlo simulation suggests that there is such a temperature region where long-wavelength fluctuations can be described by this fixed point. However, it is shown using scaling arguments that the decoupled fixed point is unstable against a fluctuation-induced biquadratic interaction, indicating that a crossover to nontrivial critical phenomena with different exponents appears as one approaches the critical point beyond the transient temperature region. This new scenario clearly contradicts the previous notion of the 3D XY universality.Comment: 16 pages, 7 figure

Discrimination between pathogenic and non-pathogenic E. coli strains by means of Raman microspectroscopy

Bacteria can be harmless commensals, beneficial probiotics, or harmful pathogens. Therefore, mankind is challenged to detect and identify bacteria in order to prevent or treat bacterial infections. Examples are identification of species for treatment of infection in clinics and E. coli cell counting for water quality monitoring. Finally, in some instances, the pathogenicity of a species is of interest. The main strategies to investigate pathogenicity are detection of target genes which encode virulence factors. Another strategy could be based on phenotypic identification. Raman spectroscopy is a promising phenotypic method, which offers high sensitivities and specificities for the identification of bacteria species. In this study, we evaluated whether Raman microspectroscopy could be used to determine the pathogenicity of E. coli strains. We used Raman spectra of seven non-pathogenic and seven pathogenic E. coli strains to train a PCA-SVM model. Then, the obtained model was tested by identifying the pathogenicity of three additional E. coli strains. The pathogenicity of these three strains could be correctly identified with a mean sensitivity of 77%, which is suitable for a fast screening of pathogenicity of single bacterial cells. [Figure not available: see fulltext.]. © 2020, The Author(s)

Photoemission kinks and phonons in cuprates

One of the possible mechanisms of high Tc superconductivity is Cooper pairing with the help of bosons, which change the slope of the electronic dispersion as observed by photoemission. Giustino et al. calculated that in the high temperature superconductor La1.85Sr0.15CuO4 crystal lattice vibrations (phonons) should have a negligible effect on photoemission spectra and concluded that phonons do not play an important role. We show that the calculations employed by Giustino et al. fail to reproduce huge influence of electron-phonon coupling on important phonons observed in experiments. Thus one would expect these calculations to similarly fail in explaining the role of electron-phonon coupling for the electronic dispersion.Comment: To appear in Nature as a Brief Communiction Arisin