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Molecular dynamics simulation of graphite melting
High Temperature. 2014. Vol. 52. No. 2. P. 199-205.
Orekhov N., Stegailov V.
In press
Questions on the behavior of the graphite melting curve have remained open during the last fifty years. The process of graphite melting in the pressure range of 2–14 GPa is investigated by the method of molecular dynamics using the model of reactive interatomic potential; the dynamics of meltingfront prop agation upon crystal superheating is considered, and the melting curve is plotted. The selfdiffusion coefficient in the liquid phase is determined for the aforementioned pressure range, and the question of the existence of the liquid–liquid phase transition in carbon is considered.
Smirnova D., Starikov S., Stegailov V., Journal of Physics: Condensed Matter 2012 Vol. 24 No. 015702 P. 1-8
Using the force-matching method we develop an interatomic potential that allows us to study the structure and properties of alpha-U, gamma-U and liquid uranium. The potential is fitted to the forces, energies and stresses obtained from ab initio calculations. The model gives a good comparison with the experimental and ab initio data for the lattice ...
Added: March 19, 2014
Loganathan N., Yazaydin A. O., Bowers G. M. et al., Journal of Physical Chemistry C 2017 Vol. 121 No. 44 P. 24527-24540
Grand Canonical Molecular Dynamics (GCMD) simulations were performed to investigate the intercalation of CO2 and H2O molecules in the interlayers of the smectite clay, Na-hectorite, at temperatures and pressures relevant to petroleum reservoir and geological carbon sequestration conditions and in equilibrium with H2O-saturated CO2. The computed adsorption isotherms indicate that CO2 molecules enter the interlayer ...
Added: November 11, 2017
Kuksin A., Rokhmanenkov A., Stegailov V., Physics of the Solid State 2013 Vol. 55 No. 2 P. 367-372
The solution energy of H and He in various interstitial and substitution positions in the hcp lattice of α-Ti has been calculated based on the method of electron density functional. The lowest solution energy of He corresponds to the basal octahedral position and that of H corresponds to the octahedral position (next in energy is ...
Added: March 24, 2014
Smirnova D., Kuksin A., Starikov S. et al., Modelling and Simulation in Materials Science and Engineering 2013 Vol. 21 No. 035011 P. 1-24
A new interatomic potential for a uranium–molybdenum system with xenon is developed in the framework of an embedded atom model using a force matching technique and a dataset of ab initio atomic forces. The verification of the potential proves that it is suitable for the investigation of various compounds existing in the system as well ...
Added: March 19, 2014
Orekhov N. D., Stegailov V., Carbon (the Netherlands) 2015 Vol. 87 P. 358-364
The graphite melting temperature remains poorly determined despite the considerable effort accomplished since the work of Bundy (1963). The absence of a consensus on its melting temperature at normal conditions has been considered as a technical problem that motivated more and more sophisticated experiments. The experimental evidences of the maximum on the graphite melting curve ...
Added: March 15, 2017
Insepov Z., Rest J., Yacout A. et al., Journal of Nuclear Materials 2012 Vol. 425 P. 41-47
A multiscale concept for irradiated materials simulation is formulated based on coupling molecular dynamics simulations (MD) where the potential was obtained from ab initio data of energies of the basic defect structures, with kinetic mesoscale models. The evolution of a system containing self-interstitial atoms (SIAs) and vacancies in crystalline molybdenum is investigated by means of ...
Added: March 24, 2014
Norman G., Starikov S., Stegailov V. et al., Journal of Applied Physics 2012 Vol. 112 No. 013104 P. 1-8
We show experimentally the possibility of nanostructuring (about 20 nm) of gold surface by picosecond soft x-ray single pulse with low fluence of ~20 mJ/cm2. The nanometer-scale changes of the surface structure are due to the splash of molten gold under fluence gradient of the laser beam. In addition, the ablation process occurs at slightly ...
Added: March 24, 2014
Norman G., Starikov S., Stegailov V., Journal of Experimental and Theoretical Physics 2012 Vol. 114 No. 5 P. 792-800
The process of ablation of a gold target by femto- and picosecond laser radiation pulses has been studied by numerical simulations using an atomistic model with allowance for the electron subsystem and the dependence of the ion–ion interaction potential on the electron temperature. Using this potential, it is possible to take into account the change ...
Added: March 19, 2014
Зайцев В. И., Щавелин В. М., / Московский инженерно-физический институт. Серия 001-86 "Препринт МИФИ". 1986. № 001-86.
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Mainichev D. A., Korenev V. S., Abramov P. A. et al., Dalton Transactions 2012 Vol. 41 P. 14484-14486
Reaction between monolacunary {BW11} tungstoborate and oxothiocationic building block, {Mo2O2S2}, results in the formation of a new polyoxothiometalate with a unique architecture in which two [H2BW12O43]9− tungstoborate subunits are linked together with a hexamolybdate [MoV6O6S6(OH)4(H2O)2]2+ bridge. ...
Added: November 13, 2014
Gutkin M. Y., Kolesnikova A. L., Krasnitckii S. A. et al., Scripta Materialia 2014
A theoretical model is suggested to determine the critical conditions for generation of circular prismatic misfit dislocation loops in hollow core-shell nanoparticles. Based on a strict solution of the linear elasticity boundary-value problem for a circular prismatic dislocation loop in a free-surface shell, we examine the loop formation energy in the nanoparticle and show a ...
Added: March 19, 2014
Н. Новгород : ННГУ, 2019
В сборник включены материалы докладов 23-ой Конференции по радиофизике, проходившей 13-21 мая 2019 года на радиофизическом факультете Национального исследовательского Нижегородского государственного университета им. Н.И. Лобачевского (ННГУ). Тематика докладов охватывает основные научные направления, развиваемые на факультете. Работы выполнены сотрудниками, аспирантами и студентами ННГУ, а также сотрудниками научно-исследовательских институтов и высокотехнологичных предприятий Нижнего Новгорода. Издаётся по решению ...
Added: January 10, 2020
Samodurov V., Kitaeva M. A., Isaev E. et al., Odessa Astronomical Publications 2013 No. 26/2 P. 311-315
Now a day the task of comparative analysis of sample sources from different astronomical catalogs is becoming very topical for astronomers. It is useful both for the same spectral range data and for their cross-analysis for different spectral ranges. It is also important, that the real data from astronomical instruments is placed on-line. For the ...
Added: December 11, 2013
Isaev E., Lysakov S., Sukhov R. et al., Odessa Astronomical Publications 2013 No. 26/2 P. 309
Added: December 11, 2013
Пенза : ПГУ, 2016
В сборник трудов включены доклады ХХI-го Международного симпозиума «Надежность и качество», проходившего с 23 по 29 мая 2016 г. в городе Пензе.
Рассмотрены актуальные проблемы теории и практики повышения надежности и качества; эффективности внедрения инновационных и информационных технологий в фундаментальных научных и прикладных исследованиях, образовательных и коммуникативных системах и средах, экономике и юриспруденции; методов и средств ...
Added: May 27, 2016
Буров А.А., Герман А. Д., Косенко И. И., Космические исследования 2014 Т. 52 № 4 С. 307-312
The problem of planar oscillations of a pendulum with variable length suspended on the Moon’s surface is considered. It is assumed that the Earth and Moon (or, in the general case, a planet and its satellite, or an asteroid and a spacecraft) revolve around the common center of mass in unperturbed elliptical Keplerian orbits. We ...
Added: November 8, 2014
Isaev E.A., Kornilov V.V., Samodurov V.A. et al., Odessa Astronomical Publications 2013 Vol. 26 No. 2 P. 308
Modern astronomical research programs need high-speed data transmission. The problem of the development and modernization of local networks and main channels is discussed. ...
Added: December 11, 2013
М. : National Instruments Russia, 2017
Содержание сборника составляют доклады с результатами оригинальных исследований и технических решений, ранее не публиковавшиеся. Мы надеемся, что предлагаемый сборник окажется полезным для специалистов, работающих в различных областях науки и техники, для широкого круга преподавателей, аспирантов и студентов ВУЗов, а также для преподавателей средних школ и технических колледжей. ...
Added: May 10, 2017
IEEE, 2015
Added: March 16, 2015
Пенза : ПГУ, 2015
В сборник трудов включены доклады юбилейного ХХ-го Международного симпозиума «Надежность и качество», проходившего с 25 по 31 мая 2015 г. в городе Пензе.
Рассмотрены актуальные проблемы теории и практики повышения надежности и качества; эффективности внедрения инновационных и информационных технологий в фундаментальных научных и прикладных исследованиях, образовательных и коммуникативных системах и средах, экономике и юриспруденции; методов и ...
Added: May 31, 2015
Terekhovich V., Эпистемология и философия науки 2019 Т. 56 № 1 С. 169-184
The framework of simple opposition realism - anti-realism is not enough to analyze the views on the reality of unobservable objects of quantum theory. First, it is necessary to distinguish between realism in relation to the theory and realism in relation to the theory’s objects. Secondly, realism in relation to classical objects can be combined, ...
Added: February 12, 2020
Zelenyi L., Malova H., Grigorenko E. et al., 2019 Vol. 61 P. 1-12
In this article we aim to highlight the problems related to the structure and stability of the
comparatively thin current sheets that were relatively recently discovered by space missions in
the magnetospheres of the Earth and planets, as well as in the solar wind. These magnetoplasma
structures are universal in collisionless cosmic plasmas and can play a key ...
Added: March 22, 2019
Aaij R., Beteta C. A., Boldyrev A. et al., Physical Review Letters 2021 Vol. 126 No. 12 P. 1-11
Using pppp collision data corresponding to an integrated luminosity of 5.4fb−15.4fb−1 collected with the LHCb detector at a center-of-mass energy of 13TeV13TeV, the B0→D−D+K+π−B0→D−D+K+π− decay is studied. A new excited D+sDs+ meson is observed decaying into the D+K+π−D+K+π− final state with large statistical significance. The pole mass and width, and the spin-parity of the new state are measured with an amplitude analysis to be mR=2591±6±7MeVmR=2591±6±7MeV, ΓR=89±16±12MeVΓR=89±16±12MeV and JP=0−JP=0−, where the ...
Added: August 31, 2021
Prazdnichnykh A., Glazov M., Ren L. et al., Physical Review B: Condensed Matter and Materials Physics 2021 Vol. 103 No. 8 P. 085302-1-085302-12
The exciton valley dynamics in van der Waals heterostructures with transition metal dichalcogenide monolayers is driven by the long-range exchange interaction between the electron and the hole in the exciton. It couples the states active in the opposite circular polarizations resulting in the longitudinal-transverse splitting of excitons propagating in the monolayer plane. Here we study ...
Added: March 5, 2021