Revealing Nanomechanical Domains and Their Transient Behavior in Mixed-Halide Perovskite Films

Halide perovskites are a versatile class of semiconductors employed for high performance emerging optoelectronic devices, including flexoelectric systems, yet the influence of their ionic nature on their mechanical behavior is still to be understood. Here, a combination of atomic-force, optical, and compositional X-ray microscopy techniques is employed to shed light on the mechanical properties of halide perovskite films at the nanoscale. Mechanical domains within and between morphological grains, enclosed by mechanical boundaries of higher Young's Modulus (YM) than the bulk parent material, are revealed. These mechanical boundaries are associated with the presence of bromide-rich clusters as visualized by nano-X-ray fluorescence mapping. Stiffer regions are specifically selectively modified upon light soaking the sample, resulting in an overall homogenization of the mechanical properties toward the bulk YM. This behavior is attributed to light-induced ion migration processes that homogenize the local chemical distribution, which is accompanied by photobrightening of the photoluminescence within the same region. This work highlights critical links between mechanical, chemical, and optoelectronic characteristics in this family of perovskites, and demonstrates the potential of combinational imaging studies to understand and design halide perovskite films for emerging applications such as photoflexoelectricity.     

Polymorphism in Gd2Ge2O7 ceramics: Structural,vibrational, and optical features

In this work, Gd₂Ge₂O₇ polymorphs were obtained by solid-state reactions at 1100–1300 °C. Structural and vibrational features were investigated by X-ray diffraction and Raman spectroscopy. For the triclinic (space group P1) polymorph, all the predicted phonons were discerned in perfect agreement with the group theory calculations, while for the tetragonal polymorph (space group P4₁2₁2), 53 bands of the 81 predicted modes could be identified and characterized. The Gd³⁺ 4f-4f electronic transitions were investigated by diffuse reflectance spectroscopy in the range 200–340 nm. By applying the Kubelka-Munk function, it was possible to determine the bandgap values for all ceramics studied. The tetragonal polymorph exhibited higher bandgap values (5.88 eV) than the triclinic one (5.59 eV), which are both more energetic than other pyrochlore polymorphs reported in the literature. The results indicate that the presence of polymorphism in Gd₂Ge₂O₇ ceramics can be used to produce tailor-made materials since their crystal structures have a strong influence on their optical properties. Consequently, these properties could be used to tuning the optical properties of Gd-containing materials to sensitize and transfer energy to other luminescent lanthanide ions, aiming for innovative applications.     

Interrelated Mechanism by Which the Methide Quinone Celastrol,Obtained from the Roots of Tripterygium wilfordii,Inhibits Main Protease 3CLpro of COVID-19 and Acts as Superoxide Radical Scavenger

We describe the potential anti coronavirus disease 2019 (COVID-19) action of the methide quinone inhibitor, celastrol. The related methide quinone dexamethasone is, so far, among COVID-19 medications perhaps the most effective drug for patients with severe symptoms. We observe a parallel redox biology behavior between the antioxidant action of celastrol when scavenging the superoxide radical, and the adduct formation of celastrol with the main COVID-19 protease. The related molecular mechanism is envisioned using molecular mechanics and dynamics calculations. It proposes a covalent bond between the S(Cys145) amino acid thiolate and the celastrol A ring, assisted by proton transfers by His164 and His41 amino acids, and a π interaction from Met49 to the celastrol B ring. Specifically, celastrol possesses two moieties that are able to independently scavenge the superoxide radical: the carboxylic framework located at ring E, and the methide-quinone ring A. The latter captures the superoxide electron, releasing molecular oxygen, and is the feature of interest that correlates with the mechanism of COVID-19 inhibition. This unusual scavenging of the superoxide radical is described using density functional theory (DFT) methods, and is supported experimentally by cyclic voltammetry and X-ray diffraction.     

Developing English domestic occupancy profiles

ABSTRACT

Occupancy patterns are necessary to estimate energy demand and evaluate thermal comfort in households. Because of this, many European countries are developing representative domestic schedules to replace outdated criteria. This paper evaluates the state of knowledge of UK domestic occupancy patterns and develops new domestic occupancy profiles for England. The presented research (1) characterizes methods for collecting occupancy data and inferring patterns; (2) identifies and assesses the quality of categories of occupancy patterns used in building simulation; and (3) develops updated occupancy profiles. A systematic scoping review identified social and monitoring surveys as the most deployed data-collection methods. A systematic literature review also established that the occupancy categories most frequently used in UK building simulation are (a) a family with dependent children where the parents work full time; and (b) a retired elderly couple who spend most of their time indoors. The interview sample from the English Housing Survey 2014–15 was used to map household typologies. Results show that categories (a) and (b) combined amount to only 19% of England’s households, which suggest models are over-reliant on these groups. Considering this result, the paper develops occupancy patterns for England derived from 2015 UK Time Use Survey diaries for each household typology previously identified.     

Characteristics of Bi-metallic Interfaces Formed During Direct Energy Deposition Additive Manufacturing Processing

Metallurgical and Materials Transactions B - Various additive manufacturing processes are being evaluated to reduce the time and cost for fabrication of low volume, complex, and multifunctional...     

Extracting Stray Magnetic Fields from Thin Ferromagnetic Layers in Hybrid Superconducting/Ferromagnetic Heterostructures

Journal of Superconductivity and Novel Magnetism - Hybrid Nb(20)/Cu(5)/Py(2), Nb(20)/Cu(5)/Co(40) and Nb(20)/Cu(d $$_{Cu}$$ )/Py(2)/Cu(5)/Co(40) heterostructures (values in nanometers and d...     

Historical narratives as strategic resources: analysis of the Turkish international contracting sector

The Turkish contracting sector has an enviable reputation for operating in high-risk international markets. The sector’s ability to respond to market instability could meaningfully be construed as sectoral-level capability. We aim to demonstrate how history can be mobilised in a formalised “strategy text” to create a strategic narrative on the sectoral level. The Geography of Contractors as published by the Turkish Contractors Association (TCA) ostensively portrays the strategic development of Turkish international contractors over four decades. Such quasi-historical narratives are routinely mobilised for the purposes of creating a shared memory on the sectoral level. The chosen strategy text draws from multiple narrative fragments derived from past experience to generate a strategic agenda for the future. The representation given to multiple voices reflects the pluralistic nature of strategy making praxis. The overarching strategy narrative reflects a performative intent in legitimising some practices whilst discrediting others. Narrative analysis demonstrates the way in which actors, actions and events are positioned within a plot structure, with direct implications for the enactment of future strategic practices. The findings suggest that strategic actions can only ever be identified in retrospect and that such arguments are always made with an eye on the future.     

Development and application of a real-time water environment cyberinfrastructure for kayaker safety in the Apostle Islands,Lake Superior

Assessing all pertinent environmental variables to categorize a skill level to safely navigate the water environment can be difficult for inexperienced kayakers, especially at a remote site where internet access is limited. A real-time kayaker safety assessment of water environmental conditions at the Mainland Sea Caves of the Apostle Islands National Lakeshore, Lake Superior is achieved. We present a new cyberinfrastructure that provides kayakers with real-time data access and a Safety Index (SI) with consideration of multiple environmental factors to characterize the degree of navigational difficulty for classifying kayaker skill levels. Specifically, radar reflectivity is added to improve forecasts of dangerous conditions caused by convective storms using state-of-the-art weather and wave modeling. Spectral characteristics of surface waves are employed to correlate the occurrences of extreme and freak waves. In addition, unexpectedly dangerous conditions like coastal upwelling and freak wave occurrence due to changing wind directions are considered. A contingency plan is implemented to handle the issue of possibly missing required environmental data. Display of the SI and visualization of other real-time environmental data are communicated by a power-efficient kiosk. Web analytics demonstrates a public interest in real-time water conditions and the need for the on-site kiosk to provide the latest information before kayakers enter the water. The new real-time water environment cyberinfrastructure for kayaker safety in the Apostle Islands, Lake Superior has been successfully operated since 2014.     

Evaluation of iron–epoxy metal nanocomposite in glass fibre and Kevlar

This paper deals with the enrichment of the both mechanical and electrical properties of Kevlar and glass fibres, not including mounting the weight of the structure by adding the iron (Fe) nanocomposites with the epoxy resin. The Fe is mixed well with the epoxy to increase the mechanical constancy and the electrical property of the fibre by a non-covalent approach. The synthesis of metal nanocomposite with epoxy is done by the direct mixing method. The Kevlar and the glass fibre were taken as the samples for this study. The zinc oxide and epoxy were mixed simultaneously using a mechanical stirrer to give appropriate dispersion and adhesion without disturbing the hydrophobic performance of the epoxy, and the Fe powder and epoxy are added with a hardener in the ratio of 1:1:0.1. The results show that the mechanical property of the fibre increased with the decrease in the weight of the laminate when they are treated with the metal nanocomposite.