Phonons from neutron powder diffraction

The spherically averaged structure function \soq obtained from pulsed neutron powder diffraction contains both elastic and inelastic scattering via an integral over energy. The Fourier transformation of \soq to real space, as is done in the pair density function (PDF) analysis, regularizes the data, i.e. it accentuates the diffuse scattering. We present a technique which enables the extraction of off-center phonon information from powder diffraction experiments by comparing the experimental PDF with theoretical calculations based on standard interatomic potentials and the crystal symmetry. This procedure (dynamics from powder diffraction(DPD)) has been successfully implemented for two systems, a simple metal, fcc Ni, and an ionic crystal, CaF$_{2}$. Although computationally intensive, this data analysis allows for a phonon based modeling of the PDF, and additionally provides off-center phonon information from powder neutron diffraction

Orbital selectivity causing anisotropy and particle-hole asymmetry in the charge density wave gap of 2H2H-TaS2_2

We report an in-depth Angle Resolved Photoemission Spectroscopy (ARPES) study on $2H$-TaS$_2$, a canonical incommensurate Charge Density Wave (CDW) system. This study demonstrates that just as in related incommensurate CDW systems, $2H$-TaSe$_2$ and $2H$-NbSe$_2$, the energy gap ($\Delta_{\text{cdw}}\,$) of $2H$-TaS$_2$ is localized along the K-centered Fermi surface barrels and is particle-hole asymmetric. The persistence of $\Delta_{\text{cdw}}\,$ even at temperatures higher than the CDW transition temperature $\it{T}_{\text{cdw}}\,$ in $2H$-TaS$_2$, reflects the similar pseudogap (PG) behavior observed previously in $2H$-TaSe$_2$ and $2H$-NbSe$_2$. However, in sharp contrast to $2H$-NbSe$_2$, where $\Delta_{\text{cdw}}\,$ is non-zero only in the vicinity of a few "hot spots" on the inner K-centered Fermi surface barrels, $\Delta_{\text{cdw}}\,$ in $2H$-TaS$_2$ is non-zero along the entirety of both K-centered Fermi surface barrels. Based on a tight-binding model, we attribute this dichotomy in the momentum dependence and the Fermi surface specificity of $\Delta_{\text{cdw}}\,$ between otherwise similar CDW compounds to the different orbital orientations of their electronic states that are involved in CDW pairing. Our results suggest that the orbital selectivity plays a critical role in the description of incommensurate CDW materials.Comment: 6 pages, 4 figure

Storage Device Sizing for a Hybrid Railway Traction System by Means of Bicausal Bond Graphs

In this paper, the application of bicausal bond graphs for system design in electrical engineering is emphasized. In particular, it is shown how this approach is very useful for model inversion and parameter dimensioning. To illustrate these issues, a hybrid railway traction device is considered as a case study. The synthesis of a storage device (a supercapacitor) included in this system is then discussed

The dynamics of grooming interactions: maintenance of partner choice and the consequences of demographic variation for female mandrills

A large body of evidence suggests that female Old World monkeys maintain selective long-term grooming interactions with fitness benefits. The last two decades have produced evidence that the regulation of social interactions among primates can be, in part, explained by the Biological Markets theory, with grooming behaviour as the focus of these studies. Grooming facilitates bonding between individuals, constituting an essential part of the regulation of social relationships among female cercopithecids. In contrast to the well-studied baboons (Papio spp), knowledge about the nature of grooming interactions and their regulation is generally lacking for the large, terrestrial species of mandrills (Mandrillus sphinx). We used a combination of social network analysis tools and well-established methods for assessing partner diversity and reciprocity to characterise grooming networks, partner choice and patterns of trade (be groomed, give grooming) among females in a captive group of mandrills, both within and across two separate observation periods. Our results suggest that, even though the relatively stable conditions of captivity allowed the studied females to maintain selective grooming interactions across time, small scale demographic changes affected the grooming dynamics of the group in accordance with the expectations of the Biological Markets theory. In particular, the maturation and consequent integration of a high ranking female into the group’s grooming network from one period to the next resulted in a more pronounced effect of rank on the regulation of grooming interactions. In addition, the influence of the maturation of a dependent infant on the grooming interactions of his mother were evident between periods. Our results also demonstrate that grooming networks are dynamic and that high ranking individuals are not necessarily the most central in grooming networks. Finally, we discuss the potential of social network analysis to identify cases of social exclusion and its consequences for captive management

Nano-magnetic droplets and implications to orbital ordering in La1-xSrxCoO3

Inelastic cold neutron scattering on LaCoO3 provided evidence for a distinct low energy excitation at 0.6 meV coincident with the thermally induced magnetic transition. Coexisting strong ferromagnetic (FM) and weaker antiferromagnetic (AFM) correlations that are dynamic follow the activation to the excited state, identified as the intermediate S=1 spin triplet. This is indicative of dynamical orbital ordering favoring the observed magnetic interactions. With hole doping as in La1-xSrxCoO3, the FM correlations between Co spins become static and isotropically distributed due to the formation of FM droplets. The correlation length and condensation temperature of these droplets increase rapidly with metallicity due to the double exchange mechanism.Comment: To appear in Phys. Rev. Let

The multidimensionality of female mandrill sociality-A dynamic multiplex network approach

Funding: ASP received funding from the School of Biological Sciences, University of Aberdeen, https://www.abdn.ac.uk/sbs/, and was awarded the Watt Fund via the University of Aberdeen https://www.abdn.ac.uk. These funders do not provide grant numbers. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript. Data Availability: All relevant data are within the manuscript and its Supporting Information files.Peer reviewedPublisher PD

Investigation of the spin-glass regime between the antiferromagnetic and superconducting phases in Fe1+y_{1+y}Sex_xTe1−x_{1-x}

Using bulk magnetization along with elastic and inelastic neutron scattering techniques, we have investigated the phase diagram of Fe$_{1+y}$Se$_{x}$Te$_{1-x}$ and the nature of magnetic correlations in three nonsuperconducting samples of Fe$_{1.01}$Se$_{0.1}$Te$_{0.9}$, Fe$_{1.01}$Se$_{0.15}$Te$_{0.85}$ and Fe$_{1.02}$Se$_{0.3}$Te$_{0.7}$. A cusp and hysteresis in the temperature dependence of the magnetization for the $x=0.15$ and 0.3 samples indicates spin-glass (SG) ordering below $T_{\rm sg} = 23$K. Neutron scattering measurements indicate that the spin-glass behavior is associated with short-range spin density wave (SDW) ordering characterized by a static component and a low-energy dynamic component with a characteristic incommensurate wave vector of ${\bf Q}_m = (0.46, 0, 0.50)$ and an anisotropy gap of $\sim$ 2.5 meV. Our high ${\bf Q}$-resolution data also show that the systems undergo a glassy structural distortion that coincides with the short-range SDW order