Electronic correlations and crystal structure distortions in BaBiO3

BaBiO3 is a material where formally Bi4+ ions with the half-filled 6s-states form the alternating set of Bi3+ and Bi5+ ions resulting in a charge ordered insulator. The charge ordering is accompanied by the breathing distortion of the BiO6 octahedra (extension and contraction of the Bi-O bond lengths). Standard Density Functional Theory (DFT) calculations fail to obtain the crystal structure instability caused by the pure breathing distortions. Combining effects of the breathing distortions and tilting of the BiO6 octahedra allows DFT to reproduce qualitatively experimentally observed insulator with monoclinic crystal structure but gives strongly underestimate breathing distortion parameter and energy gap values. In the present work we reexamine the BaBiO3 problem within the GGA+U method using a Wannier functions basis set for the Bi 6s-band. Due to high oxidation state of bismuth in this material the Bi 6s-symmetry Wannier function is predominantly extended spatially on surrounding oxygen ions and hence differs strongly from a pure atomic 6s-orbital. That is in sharp contrast to transition metal oxides (with exclusion of high oxidation state compounds) where the major part a of d-band Wannier function is concentrated on metal ion and a pure atomic d-orbital can serve as a good approximation. The GGA+U calculation results agree well with experimental data, in particular with experimental crystal structure parameters and energy gap values. Moreover, the GGA+U method allows one to reproduce the crystal structure instability due to the pure breathing distortions without octahedra tilting

Asset Management in Grid Companies Using Integrated Diagnostic Devices

The digitization of power grids envisages a transition to new models of fault diagnosis, repair and maintenance of electric power grid equipment. The most promising tools for implementing advanced production asset management strategies are integrated technologies that are based on robotic diagnostic platforms, various hardware–software instruments and smart data analysis systems. The article analyzes other countries’ experience of developing robotic methods of fault diagnosis and maintenance of overhead power transmission lines, which present a major challenge in terms of monitoring, failure prediction and localized repairs. The Cablewalker robotic system was used as an example for identifying the advantages of integrated diagnostic hardware systems as opposed to traditional methods of power grid equipment maintenance and overhaul. Recommendations are given for adopting the technology in grid companies. During trials of the technology on a 2.34-km section of a power transmission line 112 defects were detected versus three that were identified by means of ‘manual’ inspection. A digital twin of the transmission line was created to manage its technical condition with regard to various risks.The work was supported by Act 211 of the Government of the Russian Federation, contract № 02.A03.21.0006

Analytical evaluation of the X-ray scattering contribution to imaging degradation in grazing-incidence X-ray telescopes

The focusing performance of X-ray optics (conveniently expressed in terms of HEW, Half Energy Width) strongly depend on both mirrors deformations and photon scattering caused by the microroughness of reflecting surfaces. In particular, the contribution of X-ray Scattering (XRS) to the HEW of the optic is usually an increasing function H(E) of the photon energy E. Therefore, in future hard X-ray imaging telescopes of the future (SIMBOL-X, NeXT, Constellation-X, XEUS), the X-ray scattering could be the dominant problem since they will operate also in the hard X-ray band (i.e. beyond 10 keV). [...] Several methods were proposed in the past years to estimate the scattering contribution to the HEW, dealing with the surface microroughness expressed in terms of its Power Spectral Density (PSD), on the basis of the well-established theory of X-ray scattering from rough surfaces. We faced that problem on the basis on the same theory, but we tried a new approach: the direct, analytical translation of a given surface roughness PSD into a H(E) trend, and - vice versa - the direct translation of a H(E) requirement into a surface PSD. This PSD represents the maximum tolerable microroughness level in order to meet the H(E) requirement in the energy band of a given X-ray telescope. We have thereby found a new, analytical and widely applicable formalism to compute the XRS contribution to the HEW from the surface PSD, provided that the PSD had been measured in a wide range of spatial frequencies. The inverse problem was also solved, allowing the immediate evaluation of the mirror surface PSD from a measured function H(E). The same formalism allows establishing the maximum allowed PSD of the mirror in order to fulfill a given H(E) requirement. [...]Comment: 10 pages, 6 figures, published in Astronomy & Astrophysics, sect. "Astronomical Instrumentation". In this version, a typo in two equations has been corrected. After the correction, the other results, formulae and conclusions in the paper remain unchange

Methodology of design of the thin steel strip cold rolling energy efficient technology

The article states basic principles of the methodology of design of the thin steel strip production energy efficient technology, according to which the design process is structurally divided into seven interrelated modules of certain functions. Implementation of the represented approach resulted in the efficient technical mode of rolling providing reduction of overall power consumption subject to compliance with the requirements to quality parameters of the strip