Materials physics and mechanics

RAR RUS 1-11 Peter the Great St. Petersburg Polytechnic University Melker A.I.

St.Petersburg, Russia

Possible ways of forming mini-fullerenes and their graphs The diagrams, describing the process of forming mini-fullerenes of single carbon atoms and carbon dimers, are suggested. The diagrams have much in common for different fullerenes. Forming fullerenes incorporates several stages. In the first stage an initial reaction-active single atom adds another atom and activates it. In its turn the second atom adds two other atoms creating a chain reaction whereupon mutual turning of the covalent bonds generated leads to folding and to giving rise further covalent bonds that results in fullerene formation. Another way consists in the following. Here a reaction-active carbon dimer adds at once two atoms which create two covalent pairs connected with the dimer. Thereafter the chain reaction is going in two opposite directions similar to the previous case. In both cases the process consists of several stages which differ, but the final configuration, due to folding, is one and the same fullerene. We have constructed graphs for all the mini-fullerenes considered. This approach simplify the analysis both the ways of fullerene forming and its structure. mini-fullerenes; the diagrams for process of forming https://mpm.spbstu.ru/article/2014.33.1/ MPM120_01_melker.pdf

RAR RUS 12-17 Peter the Great St. Petersburg Polytechnic University Melker A.I.

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Starovoitov

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Vorobyeva

St.Petersburg, Russia

Classification of mini-fullerenes on graph basis The diagrams, describing the process of forming mini-fullerenes (from C4 to C20) of single carbon atoms and carbon dimers, were suggested by one of the authors elsewhere. In this contribution we solved an inverse problem, i.e. how to predict possible ways of forming mini-fullerenes, if one knows its graphs. We have analyzed the graphs describing the process of forming mini-fullerenes and found that they can be formed not only of single carbon atoms and carbon dimers but also of small carbon clusters. On the basis of the graphs it is possible to distinguish different families of mini-fullerenes and therefore one can make a classification of these unusual carbon structures. In the course of the analysis some innovation to the graph theory was done. We suggested considering a cluster of three or four atoms as a big point (vertex) contrary to a zero-size point (vertex) of a common graph. In this case one obtains a graph, which is identical to a simpler graph. It allows do some operations with this graph in same manner as with a usual graph that simplifies an analysis. mini-fullerenes; classification on graph basis https://mpm.spbstu.ru/article/2014.33.2/ MPM120_02_melker.pdf

RAR RUS 18-24 Peter the Great St. Petersburg Polytechnic University Melker A.I.

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Krupina

St.Petersburg, Russia

Designing mini-fullerenes and their relatives on graph basis Different families of fullerenes taking as a basis their progenitors, mini-fullerenes, and graph theory were constructed. They are: a family of a bi-trefoil: C14, C18, C24, C30, C36; a family of truncated bipyramids: C14, C18, C24 C30, C36; a family of cupola half-fullerenes: C10, C12, C16, C20, C24; and a family of 4-6-equator fullerenes: C20, C24, C32, C40, C48. All the families contain five members and have a layer structure. By analogy with geography, we can distinguish two frigid zones composed of pentagons and a torrid zone composed of hexagons. The smallest fullerenes of each family are exceptions; its frigid zones are formed of squares. Another interesting feature is that the torrid zone in the family of 4-6-equator fullerenes: C20, C24, C32, C40, and C48 is composed of square-hexagon pairs. We have also constructed a family of cupola half-fullerenes: C10, C12, C16, C20, and C24 with the help of transition to modified graphs introduced in [3], where a cluster of three or four atoms being considered as a big point (vertex) contrary to a zero-size point (vertex) of a common graph. mini-fullerenes; families of fullerenes; graph theory https://mpm.spbstu.ru/article/2014.33.3/ MPM120_03_melker.pdf

RAR RUS 25-32 Peter the Great St. Petersburg Polytechnic University Gerasimov

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Trofimov

St.Petersburg, Russia

St.Petersburg State Technological Institute Proskurina

St.Petersburg, Russia

Isomers of fullerene C60 In this paper we analyzed chromatograms and mass spectra of buckminsterfullerene and its isomers. We have calculated possible structures and formation energies of those isomers. We suppose that the most stable isomer which stability is comparable with that of C70 has the form close to a sphere. It has the symmetry axis of third order that passes through the centers of two hexagons, each of which being surrounded with three pentagons and three hexagons. buckminsterfullerene; isomers https://mpm.spbstu.ru/article/2014.33.4/ MPM120_04_gerasimov.pdf

RAR RUS 33-36 Peter the Great St. Petersburg Polytechnic University Gerasimov

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Balay

St.Petersburg, Russia

Dissolution of fullerenes C60 and C70 in organic oils In this paper we considered a group of oils (argan, apricot, macadamia, almond, and peach) based on oleic acid (ω-9) with the addition of fullerenes C60 and C70. Thefollowing data are obtained: maximum solubility of fullerenes, time dependence of solubility and spectrophotometric data. fullerenes C60 and C70; dissolution; organic oils https://mpm.spbstu.ru/article/2014.33.5/ MPM120_05_balay.pdf

RAR RUS 37-43 University of Bialystok Breczko

Bialystok, Poland

Institute of Theoretical Physics and Astronomy of Vilnius University Tamuliene

Vilnius, Lithuania

Investigation of electronic properties of Ni2MnGa and Co2MnGa Heusler alloys The work is devoted to the Heusler alloys as a candidate for applications in spintronics. On the basis of experimental studies the electronic structures of these alloys by computer simulations were carried out to explain the structural and electronic properties of the Ni2MnGa and Co2MnGa compounds by using state-of-the-art computational ab-initio methods. The total energy calculations for the cubic structures, band structure and their nature and magnetizability of the compounds are investigated. The obtained results explained the dependence of the magnetic properties of the alloys on the geometrical structure as well influence of Co and Ni atoms. Heusler alloys; structural and electronic properties https://mpm.spbstu.ru/article/2014.33.6/ MPM120_06_breczko.pdf

RAR RUS 44-50 Belarusian State University of Informatics and Radioelectronics Kozlova

Minsk, Belarus

Electronic properties of quasi-two-dimensional molybdenum disulfide with Fe, Co, and Ni impurities Possibility of molybdenum disulfide (MoS2) manifest magnetic properties under Fe, Co, and Ni impurities condition is shown. Density of electron state and band diagram of quasi-two-dimensional structure of MoS2 with Fe, Co, and Ni impurity clusters are presented. Calculations were carried out using VASP (Vienna Ab initioSimulation Package). molybdenum disulfide; impurity clusters; quasi-two-dimensional structure; electronic properties https://mpm.spbstu.ru/article/2014.33.7/ MPM120_07_kozlova.pdf

RAR RUS 51-55 Belarusian State University of Informatics and Radioelectronics Kozlova

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Zelenina

Minsk, Belarus

Ab initio simulation of two-dimensional MoS2 with vacancy clusters using GRID technologies This paper contains the information about the investigation of two-dimensional MoS2 structure with vacancy clusters within the framework of basic Grid computing approaches. Simulation results of electron density and band diagram are presented. All the calculations were performed using Vienna Ab initio Simulation Package (VASP) with the multiprocessor computer complex (supercomputer) SKIF K1000. two-dimensional MoS2 structure; computer simulation; Grid computing approache; electron density; band diagram; VASP https://mpm.spbstu.ru/article/2014.33.8/ MPM120_08_kozlova.pdf

RAR RUS 56-61 G.R. Derzhavin Tambov State University Feodorov

Tambov, Russia

Tambov G.R. Derzhavin State University Kuznetsov

Tambov, Russia

Surface topology of Fe-Si alloy in the laser radiation exposure It is shown that when a metal surface is exposed to laser radiation, a wavy-like relief is formed on it. According to the data obtained, three stages of spatial growth of the waves can be noted: area of surface stabilization, area of exponential and nonlinear wave growth. Formation of the wavy-like relief of a crater is connected with the appearance of thermocapillary instability. Wave breaking in the stage of nonlinear growth could be related to the difference of phase velocities. laser radiation; the spatial growth rate; the instability; the crater https://mpm.spbstu.ru/article/2014.33.9/ MPM120_09_feodorov.pdf

RAR RUS 62-66 Peter the Great St. Petersburg Polytechnic University Anastasiadi

St.Petersburg, Russia

Peter the Great St. Petersburg Polytechnic University Silnikov

St.Petersburg, Russia

Thermo-kinetic austenite transformation in thin-sheet steels In this contribution thermo-kinetic austenite transformation in high-strength thin-sheet steel at cooling rate of 0.05-5.0 K/s is studied. A transformation diagram has been constructed, steel structure formed after the disintegration under isothermal conditions at constant cooling and phase composition of the steel are given. thin-sheet steel; thermo-kinetic austenite transformation https://mpm.spbstu.ru/article/2014.33.10/ MPM120_10_anastasiadi.pdf

RAR RUS 67-72 G.R. Derzhavin Tambov State University Feodorov

Tambov, Russia

G.R. Derzhavin Tambov State University Plushnikova

Tambov, Russia

G.R. Derzhavin Tambov State University Sidorov

Tambov, Russia

G.R. Derzhavin Tambov State University Yakovlev

Tambov, Russia

Effect of pulsed electric current on deformation of amorphous and nanocrystalline metallic alloys aged in acidic environments Specific features of deformation of amorphous and nanocrystalline metallic alloys influenced by pulsed electric current were studied. It has been discovered that passing pulse electrical current causes a momentary relief of mechanical stresses in loaded samples with its subsequent reduction. The effect of aggressive media (20 % solutions of H2SO4 and HNO3) on the value of mechanical stress drop in samples of amorphous cobalt-based alloys and nanocrystalline iron-based alloy was also investigated. It depends on the tensile stess – tensile strain and occurs when electric current pulses are passing. The paper determines dependence of the mechanical stress value in tested materials on the density of pulsed electric current. It also investigates the structural and morphological state of the alloy surface after its exposure to aggressive media of different concentration. deformation; amorphous alloys; nanocrystalline alloys; pulsed electric current; acidic environment; relief of mechanical stresses https://mpm.spbstu.ru/article/2014.33.11/ MPM120_12_feodorov.pdf

RAR RUS 73-79 Belarusian State University of Informatics and Radioelectronics Danilyuk

Minsk, Belarus

Institute National des Sciences Appliquées de Rennes Messanvi

Rennes, France

Dependence of gallium nitride nanowires properties on synthesis pressure and temperature The main task of the investigation was to perform the synthesis of gallium nitride nanowires using a low pressure chemical vapor deposition system. The nanowires were grown via a catalyst-assisted reaction based on the vapor-liquid-solid mechanism. The influence of catalyst, temperature and pressure on the growth of gallium nitride nanowires was explored. Optimal results were obtained at a temperature of 750 oC and at a pressure of 400 to 500 mTorr. gallium nitride; nanowires; chemical vapor deposition; photoluminescence; Raman spectra https://mpm.spbstu.ru/article/2014.33.12/ MPM120_13_messanvi.pdf

RAR RUS 80-85 Belarusian State University of Informatics and Radioelectronics Timoshkov

Minsk, Belarus

Minsk Institute of Management Kurmashev

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Timoshkov

Minsk, Belarus

Belarusian State University of Informatics and Radioelectronics Sakova

Minsk, Belarus

Electrochemical codeposition of nanostructured materials for highly reliable systems Problem of wear and friction of mechanically moving and load carrying elements of micro and nano dimensions is considered. The electrochemical plating technology of metals and alloys with inert hard nanoparticles in micromolds patterned in SU-8 negative photoresist is one of the approaches to solve the problem. The influence of process parameters on the mechanical properties of particle-reinforced coatings is described. The application of nanocomposite materials to improve the mechanical properties of micro and nano components in modern integrated systems is investigated. Codeposition model of nanocomcposite plating is developed. The outlook of these materials and technologies for advanced micro- and nanoelectromechanical systems of high reliability and their application is considered. A method for manufacturing of holographic films with high runability for roll-to-roll technology is described. electrochemical codeposition; nanostructured materials https://mpm.spbstu.ru/article/2014.33.13/ MPM120_14_timoshkov.pdf