Magnetic Silicon Fullerene

A metal-encapsulating silicon fullerene, Eu@Si20, has been predicted by density functional theory to be by far the most stable fullerene-like silicon structure. The Eu@Si20 structure is a dodecahedron with D2h symmetry in which the europium atom occupies the center site. The calculated results show that the europium atom has a large magnetic moment of nearly 7.0 Bohr magnetons. In addition, it was found that a stable "pearl necklace" nanowire, constructed by concatenating a series of Eu@Si20 units, with the central europium atom, retains the high spin moment. The magnetic structure of the nanowire indicates potential applications in the fields of spintronics and high-density magnetic storage

Formation of a "Cluster Molecule" (C20)2 and its thermal stability

The possible formation of a "cluster molecule" (C20)2 from two single C20 fullerenes is studied by the tight-binding method. Several (C20)2 isomers in which C20 fullerenes are bound by strong covalent forces and retain their identity are found; actually, these C20 fullerenes play the role of "atoms" in the "cluster molecule". The so-called open-[2+2] isomer has a minimum energy. Its formation path and thermal stability at T = 2000 - 4000 K are analyzed in detail. This isomer loses its molecular structure due to either the decay of one of C20 fullerenes or the coalescence of two C20 fullerenes into a C40 cluster. The energy barriers for the metastable open-[2+2] configuration are calculated to be U = 2 - 5 eV.Comment: 21 pages, 8 figure

First-principles study of electron transport through C20C_{20} cages

Electron transport properties of C$_{20}$ molecules suspended between gold electrodes are investigated using first-principles calculations. Our study reveals that the conductances are quite sensitive to the number of C$_{20}$ molecules between electrodes: the conductances of C$_{20}$ monomers are near 1 G$_{0}$, while those of dimers are markedly smaller, since incident electrons easily pass the C$_{20}$ molecules and are predominantly scattered at the C$_{20}$-C$_{20}$ junctions. Moreover, we find both channel currents locally circulating the outermost carbon atoms.Comment: 8 pages and 3 figure

Stability of C20 fullerene chains

The stability of (C20)N chains with N = 3 - 7 is analyzed by numerical simulation using a tight-binding potential and molecular dynamics. Various channels of losing the cluster-chain structure of the (C20)N complexes are observed, including the decay of C20 clusters, their coalescence, and the separation of one C20 fullerene from the chain.Comment: To appear in JETP Letter

Anomalous Thermal Stability of Metastable C_20 Fullerene

The results of computer simulation of the dynamics of fullerene C_20 at different temperatures are presented. It is shown that, although it is metastable, this isomer is very stable with respect to the transition to a lower energy configuration and retains its chemical structure under heating to very high temperatures, T ~ 3000 K. Its decay activation energy is found to be E_a ~ 7 eV. Possible decay channels are studied, and the height of the minimum potential barrier to decay is determined to be U = 5.0 eV. The results obtained make it possible to understand the reasons for the anomalous stability of fullerene C_20 under normal conditions.Comment: Slightly corrected version of the paper submitted to Phys. Solid Stat

Decay and fusion as two different mechanisms of stability loss for the (C_20)_2 cluster dimer

The thermal stability of the (C_20)_2 cluster dimer consisting of two C_20 fullerenes is examined using a tight-binding approach. Molecular dynamics simulations of the (C_20)_2 dimer at temperatures T = 2000 - 3500 K show that the finite lifetime \tau of this metastable system is determined by two fundamentally different processes, the decay of one of the C_20 fullerenes and the fusion of two C_20 fullerenes into the C_40 cluster. The activation energies for these processes Ea = 3.4 and 2.7 eV, respectively, as well as their frequency factors, have been determined by analyzing the dependence of \tau on T.Comment: Slightly modified version of the paper to appear in JETP Let

Structure and Stability of Two-Dimensional Complexes of C_20 Fullerenes

Two-dimensional complexes of C_20 fullerenes connected to each other by covalent bonds have been studied. Several isomers with different types of intercluster bonds have been revealed. The lifetimes of the (C_20)_MxM systems with M = 2 and 3 have been directly calculated at T = 1800 - 3300 K making use of molecular dynamics. It has been shown that these complexes lose their periodic cluster structure due to either coalescence of two fullerenes C_20 or decay of C_20 fullerenes. The activation energies of these processes exceed 2 eV.Comment: 17 pages, 5 figure

An engineering model to simulate the thermal response of electronic devices during pulsed Nd:YAG laser welding

A model is developed to predict the thermal response of real electronic devices during pulsed Nd:YAG laser welding. Modeling laser-part interaction requires incorporation of weld pool hydrodynamics, and laser-metal vapor and laser-surface interactions. Although important information can be obtained from these models, they are not appropriate for use in design of actual components due to computational limitations. In lieu of solving for these detailed physics, a simple model is constructed. In this model, laser-part interactions are accounted for through an empirically determined energy transfer efficiency which is developed through the use of modeling and experiments. This engineering model is appropriate since part thermal response near the weld pool and weld pool shape is not of interest here. Reasonable agreement between predictions and experimental measurements for welding of real components are indicated

Особенности оценки профессиональных рисков в медицинской организации

Работа посвящена оценки профессионального риска для работников медицинских организаций с учетом эпидемиологической обстановки. В данной работе рассмотрено нормативно-правовое регулирование оценки профессионального риска в Российской Федерации. Проведен анализ существующих методов оценки профессионального риска. В результате исследования проведена оценка профессионального риска для работников медицинской организации и предложены мероприятия по уменьшению уровня риска.The work is devoted to the assessment of professional risk for employees of medical organizations, taking into account the epidemiological situation. This paper examines the legal regulation of professional risk assessment in the Russian Federation. The analysis of existing methods of professional risk assessment is carried out. As a result of the study, an assessment of professional risk for employees of a medical organization was carried out and measures to reduce the level of risk were proposed