Analysis of methodology and practice of investigation of logistic potential of the territory

СЕКЦИЯ 7. ПРОБЛЕМЫ И ТЕНДЕНЦИИ РАЗВИТИЯ ЛОГИСТИКИ В СОВРЕМЕННЫХ ЭКОНОМИЧЕСКИХ УСЛОВИЯ

One-dimensional polyhedral chain of ThCl6 encapsulated within single-walled carbon nanotubes

Using density functional theory together with dispersion correction, we optimize geometries and calculate encapsulation energies, charge transfer, and electronic structures of a one-dimensional ThCl6 chain encapsulated within single-walled carbon nanotubes. The optimized structures are in agreement with the experimentally observed single chain of ThCl6 confined within nanotubes. Exoergic encapsulation energies indicate that the chain is thermodynamically stable inside the nanotubes. The inclusion of dispersion correction enhanced the encapsulation. The strong nature of encapsulation is further confirmed by the charge transfer between the nanotubes and the chain. The one-dimensional chain structure exhibits a small increase (0.20 eV) in the bandgap compared to that of bulk ThCl4. The metallic (15,0) tube becomes a narrow gap semiconductor upon encapsulation, while the semiconducting nature of the (17,0) tube is still kept despite the reduction in the bandgap

Communicative and cognitive features of art discourse and science of language

The paper describes the communicative and cognitive signs of literary discourse and its interpretations in linguistics. Different interpretations of discourse in modern linguistic research are considered. The author's literary discourse is described in terms of the conception, with respect to which the researcher positions himsel

One-dimensional yttrium silicide electride (Y5Si3:e−) for encapsulation of volatile fission products

Better ways are needed to capture radioactive volatile fission products (Kr, Xe, Br, I, Te, Rb, and Cs) discharged during the reprocessing of spent nuclear fuel in order to reduce the volumes of produced waste and minimize environmental impact. Using density functional theory, we examine the efficacy of a one-dimensional yttrium silicide electride (Y5Si3:e−) as a host matrix to encapsulate these species. Endoergic encapsulation energies calculated for Kr, Xe, Rb, and Cs imply they are not captured by Y5Si3:e−. Encapsulation is exoergic for Br, I, and Te with respect to their atoms and dimers as reference states, meaning that they can be captured effectively due to their high electronegativities. This is further supported by the formation of anions due to charge transfer between Y5Si3:e− and Br (I and Te). The selectivity of this material for these volatile species makes it promising for use in nuclear filters

Defects, Diffusion and Dopants in Li8SnO6

Octalithium tin (IV) oxide (Li8SnO6) is an important electrode material considered for lithium ion batteries (LIBs) because of its high lithium content. We employed atomistic simulations to examine the intrinsic defects, diffusion of Li-ions together with their migration energies and solution of potential dopants in Li8SnO6. The most thermodynamically favourable intrinsic defect is the Li Frenkel which increases the concentration of Li vacancies needed for the vacancy mediated diffusion of Li-ions in Li8SnO6. The calculated activation energy of migration of Li-ions (0.21eV) shows that the Li-ion conductivity in this material can be very fast. Promising isovalent dopants on the Li and Sn sites are Na and Ti, respectively. Doping of Ga on the Sn site can facilitate the formation of Li interstitials as well as oxygen vacancies in Li8SnO6. While the concentration of Li interstitials can enhance the capacity of this material, oxygen vacancies together with Li interstitials can lead to the loss of Li2O in Li8SnO6

Graphene Synthesis and Its Recent Advances in Applications—A Review

Owing to the remarkable chemical and physical properties, graphene has been widely investigated by researchers over the last 15 years. This review summarizes major synthetic methods such as mechanical exfoliation, liquid phase exfoliation, unzipping of carbon nanotube, oxidation-reduction, arc discharge, chemical vapor deposition, and epitaxial growth of graphene in silicon carbide. Recent advances in the application of graphene in graphene-based lithium ion batteries, supercapacitors, electrochemical sensors, transparent electrodes and environmental based remedies are discussed

Integration of cellular network and wireless LAN

This study discusses the significant problems accommodated in the integration of cellular networks and WLANs to the service providers, end-users, etc. This study aims about the current complications, current challenges, substantial significance, future implementations, and the future challenges related to the integration of cellular networks and WLANs. We are performing the research to specifically identify the issues of the integration and how to eliminate these problems to produce a network that delivers higher productivity to users in terms of bandwidth, coverage area, etc. The integration of networks is now in high demand as a diverse range of mobile devices, applications requires the network to be integrated in order to utilize the service anywhere, anytime, and at a reasonable cost. The crucial component in integration is the handoff process that takes place when the user moves from one network to another without experiencing any interruption. Some issues must be considered in all the layers of the protocol stack in order to contribute a breath-taking performance to the end-users who are central to the networks. This study is carried out by referring to past written articles, documents, records, by other researches. This study identifies the problems and issues related to the protocol stack, provides the readers with the importance of integration, and the discussion about this integration of the network

Defect Properties and Lithium Incorporation in Li2ZrO3

Lithium zirconate is a candidate material in the design of electrochemical devices and tritium breeding blankets. Here we employ an atomistic simulation based on the classical pair-wise potentials to examine the defect energetics, diffusion of Li-ions, and solution of dopants. The Li-Frenkel is the lowest defect energy process. The Li-Zr anti-site defect cluster energy is slightly higher than the Li-Frenkel. The Li-ion diffuses along the c axis with an activation energy of 0.55 eV agreeing with experimental values. The most favorable isovalent dopants on the Li and Zr sites were Na and Ti respectively. The formation of additional Li in this material can be processed by doping of Ga on the Zr site. Incorporation of Li was studied using density functional theory simulation. Li incorporation is exoergic with respect to isolated gas phase Li. Furthermore, the semiconducting nature of LZO turns metallic upon Li incorporation