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Information × Registration Number 0214U000313, 0113U001978 , R & D reports Title Usage of grid-technologies for investigations of the dynamic behavior of metals under plastic deformation and the electronic structure of metalliferous compunds popup.stage_title Head Antonov Viсtor Nikolaevich, Registration Date 05-02-2014 Organization G.V. Kyrdyumov Institute for Metall Physics of N.A.S. of Ukraine popup.description2 Based on the first-principles calculations in the ARC grid-environment using the author's LMTO software suite the results of fundamental studies of the electronic and magnetic structures, magnetocrystalline anisotropy, and the spectral properties of the magnetostrictive alloy Mn3CuN with a noncollinear magnetic structure as well as the impact of electric quadrupole transitions on the spectral properties of the rare-earth intermetallic mixed-valence compound YbAgCu4 have been obtained. The procedure and the corresponding software for the grid-enabled analysis and statistical processing of the video data of an experimental study of the dynamic behavior of metals and their surface evolution under mechanical deformation obtained with a high speed camcorder have been developed and implemented. The analysis of the size and angle distributions of the specific surface elements allowed us to determine the critical moments of activation of new modes of deformation (from the laminar flow of individual dislocations to the inhomogeneous hydrodynamic regime of deformation). In order to simplify the managment of calculations and the results processing in the grid-environment the work on the implementation of a scientific gateway based on the gUSE/WS-PGRADE software has been conducted. Using the developer tools, provided by WS-PGRADE, an interface for the managment of the computing tasks and the processing of the results of molecular dynamics simulations of the materials physical properties (based on the LAMMPS software) has been created. The interface was used to obtain in the grid-environment the results of molecular dynamics simulations of the behavior of Al nanocrystals under relaxation after uniaxial tension. Product Description popup.authors Бекеньов Л.В. Гордієнко Ю.Г. Кучеренко Ю.М. Плотніков М.О. Сіренко В.Т. popup.nrat_date 2020-04-02 Close