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ЗАЧЕМ и КАКИЕ нужны суперкомпьютеры эксафлопсного класса? Предсказательное моделирование свойств и многомасштабных процессов в материаловедении
Программные системы: теория и приложения. 2014. Т. 5. № 1. С. 191-244.
Timofeev A., Morozov I., Stegailov V., Норман Г. Э., Куксин А. Ю., Ланкин А. В., Орехов Н. Д., Писарев В. В., Смирнов Г. С., Стариков С. В.
Priority areas:
IT and mathematics
Language:
Russian
Morozov I., Норман Г. Э., Журнал экспериментальной и теоретической физики 2005 Т. 127 № 2 С. 412-430
Плазменные волны и характер столкновений частиц в равновесной двухкомпонентной неидеальной плазме, состоящей из невырожденных электронов и однократно заряженных ионов, рассмотрены на основе моделирования методом молекулярной динамики (МД). Определены дисперсия частоты и декремента затухания ленгмюровских волн. Указан метод обобщения теории плазменных волн в идеальной плазме для расширения области применимости теории в сторону неидеальной плазмы. Определены проводимость ...
Added: March 14, 2014
Smirnov G., Стегайлов В.В., Математическое моделирование 2016 Т. 28 № 5 С. 95-108
Развитие аппаратного обеспечения для высокопроизводительных расчетов опережает адаптацию алгоритмов для таких фундаментальных математических алгоритмов, как клас- сическая молекулярная динамика. Большое разнообразие выбора обуславливает необ- ходимость ясных критериев, основанных на вычислительной эффективности опреде- ленного алгоритма на определенном аппаратном обеспечении. Тест LINPACK не может более служить этой цели. В этой работе мы рассматриваем основанную на практических соображениях ...
Added: July 5, 2016
Lavrinenko Y. S., Morozov I.V., Valuev I. A., Contributions to Plasma Physics 2016 Vol. 56 P. 448-458
The influence of boundary conditions for the classical and wave packet molecular dynamics (MD) simulations of nonideal electron-ion plasma is studied. We start with the classical MD and perform a comprehensive study of convergence of the per-particle potential energy and pressure with the number of particles using both the nearest image method (periodic boundaries) and ...
Added: June 28, 2016
Timofeev A., Николаев В. С., Журнал экспериментальной и теоретической физики 2019 Т. 155 № 2 С. 356-370
The molecular dynamics method is used for studying the effect of forces acting in a dusty plasma and discharge parameters on the mean interparticle distance in structures in a dc glow discharge in the temperature range 50–300 K. We report on the results of the dependence of the mean interparticle distance on the neutral gas ...
Added: March 10, 2019
Timofeev A., Semyonov V., Journal of Physics: Conference Series 2016 Vol. 774 No. 012171 P. 1-5
Dust particles under certain conditions can acquire kinetic energy of the order of
10 eV and higher, far above the temperature of gas and temperatures of ions and electrons in the
discharge. Such heating can be explained by the energy transfer between degrees of freedom of
a dusty plasma system. One of the mechanisms of such energy transfer ...
Added: February 17, 2017
Остроумова Г. М., Орехов Н. Д., Stegailov V., Diamond and Related Materials 2019 Vol. 94 P. 14-20
Formation of carbon nanoparticles is an important type of complex non-equilibrium processes that require precise atomistic theoretical understanding. In this work, we consider the process of ultrafast cooling of pure carbon gas that results in nucleation of an onion-like fullerene. The model is based on molecular dynamics simulation with the interaction between carbon atoms described ...
Added: February 22, 2019
Mishra R. K., Kunhi Mohamed A., Geissbühler D. et al., Cement and Concrete Research 2017 Vol. 102 P. 68-89
This paper reviews atomistic force field parameterizations for molecular simulations of cementitious minerals, such as tricalcium silicate (C3S), portlandite (CH), tobermorites (model C-S-H). Computational techniques applied to these materials include classical molecular simulations, density functional theory and energy minimization. Such simulations hold promise to capture the nanoscale mechanisms operating in cementitious materials and guide in ...
Added: November 11, 2017
Zhukova E. I., Malova H. V., V. Yu. Popov et al., Cosmic Research 2017 Vol. 55 No. 6 P. 417-425
This work is devoted to studying the processes of the acceleration of plasma particles in thin current sheets that appear during magnetospheric substorms in the Earth’s magnetosphere tail. A numerical model of magnetic dipolarization accompanied by plasma turbulence has been constructed and studied. The model allows one to investigate the particle acceleration due to the ...
Added: July 19, 2018
Barash L., Marshall J., Weigel M. et al., / Cornell University. Series cond-mat "arxiv.org". 2018. No. 1808.04340.
Estimating the density of states of systems with rugged free energy landscapes is a notoriously difficult task of the utmost importance in many areas of physics ranging from spin glasses to biopolymers to quantum computing. Some of the standard approaches suffer from a spurious convergence of the estimates to metastable minima, and these cases are ...
Added: October 17, 2018
М. : МИЭМ НИУ ВШЭ, 2013
The materials of The Second International Scientific – Practical Conference is presented below. The Conference reflects the modern state of innovation in education, science, industry and social-economic sphere, from the standpoint of introducing new information technologies.
Digest of Conference materials is presented in 4 parts. It is interesting for a wide range of researchers, teachers, graduate ...
Added: April 18, 2013
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
Pyrkova D. V., Tarasova N. K., Krylov N. et al., Journal of Biomolecular Structure and Dynamics 2013 Vol. 31 No. 1 P. 87-95
Delineation and analysis of lateral clustering of lipids in model bilayers is an important step toward understanding of the physical processes underlying formation of lipid domains and rafts in cell membranes. Computer modeling methods represent a powerful tool to address the problem since they can detect clusters of only few lipid molecules – this issue ...
Added: November 14, 2013
Parkhomenko E., Malova H., Grigorenko E. et al., Physics of Plasmas 2019 Vol. 26 No. 4 P. 1-9
This work is devoted to the investigation of particle acceleration during magnetospheric dipolarizations. A numerical model is presented
taking into account the four scenarios of plasma acceleration that can be realized: (A) total dipolarization with characteristic time scales of
3 min; (B) single peak value of the normal magnetic component Bz occurring on the time scale of ...
Added: April 16, 2019
Isaev E., Lysakov S., Sukhov R. et al., Odessa Astronomical Publications 2013 No. 26/2 P. 309
Added: December 11, 2013
Долгопрудный : МФТИ, 2016
Сборник предназначен для широкого круга специалистов, занимаю- щихся проблемами управления и обработки информации, математическо- го и компьютерного моделирования.
Отражены результаты научных исследований, ведущихся в Москов- ском физико-техническом институте (государственном университете) в области вычислительной математики, математической кибернетики, ком- пьютерных и информационных технологий. ...
Added: October 20, 2018
Ratnikov F., Hushchyn M., Курбатов Е. О. et al., Journal of High Energy Physics 2019 Vol. 1904 No. 77 P. 1-16
Heavy Neutral Leptons (HNLs) are hypothetical particles predicted by many extensions of the Standard Model. These particles can, among other things, explain the origin of neutrino masses, generate the observed matter-antimatter asymmetry in the Universe and provide a dark matter candidate.
The SHiP experiment will be able to search for HNLs produced in decays of heavy ...
Added: April 30, 2019
Isaev E., Tarasov P. A., Odessa Astronomical Publications 2014 Vol. 27 No. 2 P. 72-73
Added: November 24, 2014
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
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
Serkhacheva N., Gainanova, A., Kuz’micheva G. et al., International Journal of Polymer Analysis and Characterization 2015 Vol. 20 No. 8 P. 743-753
This study produced for the first time composites based on polystyrene microspheres with nano-sized titania synthesized by sulfate and sol-gel methods, as well as commercial Hombifine N, Hombikat UV100, and Degussa P25. The starting samples and the composites were characterized by X-ray diffraction, scanning electron microscopy, nitrogen adsorption capacity, and IR spectroscopy. The highest content ...
Added: December 2, 2015
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
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
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
Morozov I., Norman G. E., Insepov Z. et al., Physical Review Special Topics - Accelerators and Beams 2012 Vol. 15 P. 053501
This paper describes the surface environment of the dense plasma arcs that damage rf accelerators, tokamaks, and other high gradient structures. We simulate the dense, nonideal plasma sheath near a metallic surface using molecular dynamics (MD) to evaluate sheaths in the non-Debye region for high density, low temperature plasmas. We use direct two-component MD simulations ...
Added: October 28, 2013