Wannier functions and exchange integrals: The example of LiCu2_{2}O2_{2}

Starting from a single band Hubbard model in the Wannier function basis, we revisit the problem of the ligand contribution to exchange and derive explicit formulae for the exchange integrals in metal oxide compounds in terms of atomic parameters that can be calculated with constrained LDA and LDA+U. The analysis is applied to the investigation of the isotropic exchange interactions of LiCu$_{2}$O$_{2}$, a compound where the Cu-O-Cu angle of the dominant exchange path is close to 90$^{\circ}$. Our results show that the magnetic moments are localized in Wannier orbitals which have strong contribution from oxygen atomic orbitals, leading to exchange integrals that considerably differ from the estimates based on kinetic exchange only. Using LSDA+U approach, we also perform a direct {\it ab-initio} determination of the exchange integrals LiCu$_{2}$O$_{2}$. The results agree well with those obtained from the Wannier function approach, a clear indication that this modelization captures the essential physics of exchange. A comparison with experimental results is also included, with the conclusion that a very precise determination of the Wannier function is crucial to reach quantitative estimates.Comment: 8 pages, 8 figure

Managers for sustainable electric power industry of tomorrow

To be able to lead a large-scale technological overhaul of the electricity generation sector and actively operate in energy markets, it is necessary to substantially increase the professional level of management. Moreover, there is no doubt that the social responsibility of power engineering as a vital infrastructure industry will only continue to increase, competition will intensify while the existing shortage of knowledge will grow. This is happening amid overall instability, uneven and chaotic demand for energy on the part of economic systems. On the other hand, energy consumers, investors and society as a whole are putting an increasing emphasis on reliability, pricing transparency and environmental impacts. The study provides substantiation and a new research and methodology platform for forward-looking education of energy managers. Its purpose is to equip professionals with knowledge and competencies that they will need for working in emerging technological and organisational and economic systems that will be based on new principles and will function in a turbulent external environment. The global energy education is used as an example of building educational content and methodology for the forward-looking training of future energy leaders. © 2018 WIT PressACKNOWLEDGEMENT The work was supported by Act 211 Government of the Russian Federation, contract № 02.A03.21.0006

A methodological framework for organizational risk management in energy companies

Energy production has always been associated with a number of operational (technological) risks as well as risks resulting from external events. A large number of tools has emerged recently that utilize complex software solutions to minimize such risks, which shows in a significant reduction of failures at energy facilities in the past few years and a growth in the key performance indicators of energy businesses. The most difficult ones to assess and prevent are organizational risks. The probability of such risks increases alongside the progress of structural transformations in the global energy sector. Such risks, despite their internal nature, are capable of triggering serious deformations within the governance system of an energy company and, given the specific features of the energy sector, lead to a sharp performance drop across the industry. The article presents a methodological framework for operational risk management in energy companies that is based upon the idea of identifying the priority results of companies’ performance. The proposed methodology is essentially about forming the risk space of an energy company and using it as a basis for quantitative assessment of the probability of risk events. This will in turn make it possible to identify critical organizational risks, assess anticipated damage and think of preventive management impact to offset the risk events. © 2017 WIT Press.ACKNOWLEDGEMENT The work was supported by Act 211 Government of the Russian Federation, contract No 02. A03.21.0006

Sustainable Energy for Smart City

The article presents the results of a study of structural changes in the energy sector serving digital technologies for the urban environment of the future that is being created now. The study considers country-specific factors and problems of ensuring the sustainability of heat and power supply. The authors look at the priority areas of a new phase of electrification aimed at the development of advanced energy-saving smart technologies, electric transport, electric cars and appropriate energy and utility infrastructure. The case is studied of developing engineering, technical, organizational and economic solutions when overhauling the heat supply system in a ‘smart’ residential district of Yekaterinburg, one of Russia’s megalopolises, that is being designed and constructed on the basis of the principles of intelligent engineering infrastructure.The work was supported by Act 211 of the Government of the Russian Federation, contract 02.A03.21.0006

Factoring environment into electrification management in a region

Electrification is an integrated continuous process of production, transmission, distribution and use of electric power in a region's economy. Analysis of global trends shows that demand for electric power as the most advanced and flexible energy carrier has been growing as many countries are in transition to a new industrial landscape. Along with that, the energy provision of industrial and domestic processes is becoming more intellect-intensive, while environmental issues are receiving special attention. This determines the relevance of the study. The authors have designed a methodology for factoring the environment into regional electrification programs. The methodology includes the following steps: ranking and selecting facilities to be electrified based on the criterion of minimal values of the 'electricity-for-fuel substitution coefficient'; application of the energy and economic effect to financially compensate for environmental impacts; introduction of demand side management programs that help improve the environmental situation in the region. An 'ideal' structural model of electrification is proposed for regions with high eco-loads. The model combines a method for selecting facilities to be electrified, pro-active energy conservation, adding more energy installations utilizing carbon-neutral fuels to the power generating system. © 2018 WIT Press.ACKNOWLEDGMENT The work was supported by Act 211 Government of the Russian Federation, contract No 02. A03.21.0006

Fulfilling the potential of nuclear power industry through demand side management

The study analyzes the feasibility and ways of including nuclear power plants (NPPs) in demand side management (DSM) programs. Reducing peak load on energy systems is of high interest to nuclear energy managers because the load grows and so does the share of base load, providing an impetus for the construction of new NPPs in regions. The authors propose the principles and mechanisms of DSM and a system of organizational and economic measures that would encourage energy companies to get actively engaged in DSM programs. It is shown that it is appropriate to consider DSM as a way of improving the flexibility characteristics of new NPPs, such as their increasing their capacity factor, boosting output while reducing costs and, therefore, increasing their profitability. © 2017 WIT Press