Crystal and electronic structure of the room temperature organometallic ferrimagnet V(TCNE)2_2. Analysis of numerical DoS and magnetic properties as related to orbital and spin-Hamiltonian models

We present a detailed analysis of the results of our numerical study of the crystal and electronic structure of the room temperature organometallic ferrimagnet of general composition V(TCNE)$_{x}$ with $$. The results of the LSDA+$U$ study show that the experimentally determined structure complies with the magnetic measurements and thus can serve as a prototype structure for the entire family of the M(TCNE)$_{2}$ organometallic magnets. The results of the numerical study and of the magnetic experiments are interpreted using model Hamiltonians proposed here. This allowed us to obtain estimates of the critical temperature in three- and two-dimensional regimes and to give an explanation of the differences in behavior of probably isostructural V(TCNE)$_{2}$ and Fe(TCNE)$_{2}$ species.Comment: 42 pages, 7 figure

Организация защиты населения и территории Томской области в период весеннего половодья

Весеннее половодье на территории Томской области характеризуется достаточно быстрым подъемом уровней воды в реках в период вскрытия ото льда и продолжительным прохождением талых вод с затоплением обширной территории. В связи с этим возникает актуальность защиты населения и территории в период весеннего половодья. В работе предложены рекомендации органам исполнительной власти по смягчению риска в паводкоопасный период на территории Томской области.Spring flood at territory of Tomsk region is characterized by a rather the rapid rise of the levels water in the rivers during the opening from ice long lasting and the passage of melt water with flooding extensive territories. In this regard, there is the relevance of the protection of the population and the territory during the spring floods. The paper proposes recommendations to bodies Executive power by risk mitigation flood-prone period for territory of Tomsk region

Effect of trapezoidal discrete heater sizes on evolution of laminar thermal plumes in enclosures

In this study, numerical simulation of unsteady laminar natural convection in a cubical cavity having discrete heat source of a trapezoidal shape has been carried out. Governing equations describing fluid flow and heat and mass transfer within the considered area have been represented using the dimensionless vector potential functions, vorticity vector and temperature. Distributions of velocity and temperature fields inside the domain of interest have been obtained. All calculations have been conducted in a wide range of Rayleigh number and heater size

Проблеми українського нафтогазового машинобудування та шляхи їх вирішення

В данной статье рассмотрено состояние отрасли украинского нефтегазового машиностроения на современном этапе, определены основные недостатки отрасли и предложены варианты их преодоления. Опыт развитых стран свидетельствует, что именно эта отрасль является индикатором промышленного развития, вершиной экономического уровня того или иного государства

Lattice thermal expansion and anisotropic displacements in urea, bromomalonic aldehyde, pentachloropyridine and naphthalene

Anisotropic displacement parameters (ADPs) are commonly used in crystallography, chemistry and related fields to describe and quantify thermal motion of atoms. Within the very recent years, these ADPs have become predictable by lattice dynamics in combination with first-principles theory. Here, we study four very different molecular crystals, namely urea, bromomalonic aldehyde, pentachloropyridine, and naphthalene, by first-principles theory to assess the quality of ADPs calculated in the quasi-harmonic approximation. In addition, we predict both thermal expansion and thermal motion within the quasi-harmonic approximation and compare the predictions with experimental data. Very reliable ADPs are calculated within the quasi-harmonic approximation for all four cases up to at least 200 K, and they turn out to be in better agreement with experiment than the harmonic ones. In one particular case, ADPs can even reliably be predicted up to room temperature. Our results also hint at the importance of normal-mode anharmonicity in the calculation of ADPs

Важность информационных технологий в области финансов

The article describes the impact of information technology on the different fields of human activities. Emphasis is given to the financial management of the enterprise and in no case must not forget about personal finance management