Kinetics of the formation of pores and a change in the properties of materials in numerical models

Zmievskaya, G. I.; Bondareva, A. L.

doi:10.1134/s102745101604039x

Cited by 8 publications

(7 citation statements)

References 12 publications

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“…The aiwlib library and its previous version aivlib were used successfully in a number of projects: development software packages for the seismic prospecting [27,28,29], the physics of plasma [6] and the optics of turbid media [30]; solutions to fundamental and applied problems in analysing of magnetic materials and thecreation of spintronics devices [22,23]; the research on resonance properties of superparamagnets [25]; simulations of the gas dynamics and the combustion [24], processes of the field development for kerogen-containing oil reservoirs, taking the insitu burning into account, the material degradation and the blistering in the subsurface layers under the influence of the ion bombardment [31]; modeling of problems of poroelasticity and hydraulic fracturing of the formation [32]. In the meantime, the developed of visualization tools of the library played the important role in those projects.…”

Section: Resultsmentioning

confidence: 99%

Aiwlib library as the instrument for creating numerical modeling applications

Иванов

Khilkov

2018

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Aiwlib library is a library for C++11 and Python languages, which is aimed for the development of high-performance computing numerical simulation applications running under GNU/Linux OS. It also provides means for batch calculations, search through results using multiparametric filters and visualisation of results. The visualization is supported of data given on uniform rectangular grids of high dimension in the form of two-dimensional slices with an effective change in the position and orientation of the slice; data given on spherical grids; arbitrary surfaces in three-dimensional space defined on triangular unstructured grids; voxel visualization of data given on uniform threedimensional grids; visualization of the magnetization distribution under micromagnetic or atomistic modeling. The library was applied for development of software packages for seismic, plasma physics and turbid medium optics. It was also turned useful for solving fundamental and applied problems concerning the magnetic materials study and creating spintronics devices, simulation of field development for the oil reservoir that contains kerogen with in-situ combustion taken into account, simulation of poroelastic medium problems and hydraulic fracture problems.

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Section: Resultsmentioning

confidence: 99%

Aiwlib library as the instrument for creating numerical modeling applications

Иванов

Khilkov

2018

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“…Distance between pores, which is needed for their merging or stopping of their motion, determines spatial structures of defects. Conditions of the "open physical system", used in the model, are determined via the thermodynamic parameters of the lattice and implanted particles: ion energy (~5-10keV), dose of ion flux, and surface temperature of the sample, each calculation of porosity formation are kept constant during porosity formation in a crystalline lattice [4,5]. Nucleation process is described by the Fokker -Planck -Kolmogorov kinetic equations and by their stochastic analoguethe Ito -Stratonovich equations.…”

Section: Numerical Modeling Of the Nucleation And Porosity In The Samplementioning

confidence: 99%

“…Processes of clustering are represented by a diffusion in the phase space of cluster sizes {G}. The idea to use a random Markov process allows us to formulate the problem in the form of the Fokker-Planck-Kolmogorov (FPK) equation for the probability density of cluster size DF   f g,t (source of "monomers" :vacancies and implanted gas) is denoted as a S ) [3][4][5]:…”

Section: Kinetic and Stoshactic Equations Of Modelingmentioning

confidence: 99%

“…Simulation of phase transition is considered in a numerical experiment based on the theory of stochastic dynamic variables [1]. Among the processes that modify the functional properties of the surfaces, an important role belongs to the phase transitions of the 1st kind [2] such as condensation of vapor in the volume of discharge plasma on the surface of the substrate [3], formation of defects consisting of vacancies and gas (vacancy gas) pores /VGD/ in the crystal lattice of the material [4,5], crystallization, melting, and many other phenomena of the interaction of the plasma with the surfaces [6], devices, installations, etc. At the initial stage of phase transitions with characteristic times of ~ 100 µsec, nuclei of a new phase have the form of melt droplets during vapor condensation or VGD pores when the gas implants in the crystal lattice.…”

Section: Introductionmentioning

confidence: 99%

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Structures of Self-Organization of Porosity in Solid

Zmievskaya

2019

KIAM Prepr.

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О р д е н а Л е н и н а ИНСТИТУТ ПРИКЛАДНОЙ МАТЕМАТИКИ имени М.В.Келдыша Р о с с и й с к о й а к а д е м и и н а у к G.I. Zmievskaya Structures of Self-Organization of Porosity in Solid Москва-2019 Змиевская Г.И. Структуры самоорганизации пористости в твердом теле Компьютерное моделирование зарождения пористости при имплантации ионов инертного газа проведено на основе уравнений кинетической теории начальной стадии фазового перехода-флуктуационной нуклеации. Стохастическая молекулярная динамика, использующая систему уравнений Ито в смысле Стратоновича, позволяет анализировать образование кластеров вакансионно-газовых пор в зависимости от их неравновесных функций распределения как по размерам, так и по декартовым координатам объема слоев. Самоорганизация в фазовом пространстве стохастических динамических переменных возникает при броуновской диффузии вследствие дальнодействующего коллективного упругого взаимодействия пор в решетке при условии «открытой» физической системы имплантации ионов в решетку за короткое время нуклеации (менее 100 микросекунд). Примеры структур представлены для условий флуктуационной неустойчивости фазового перехода в тонком слое карбида кремния при облучении Хе ++ с энергией ионов 5-10 кэВ. Ключевые слова: кинетическая теория, стохастическое моделирование, пористость, карбид кремния, кластеры пор, структуры самоорганизации. Galina Ivanovna Zmievskaya Structures of Self-Organization of Porosity in Solid Computer simulations of porosity nucleation under implantation inert gas ions carried out on the basis of equations kinetic theory of initial stage of phase transitionfluctuation nucleation. Stochastic molecular dynamics, which use set of Ito equation in Stratonovich sense, allows to analyze the formation of structures vacancy-gas pore clusters in dependence on their non-equilibrium distribution functions from both: size and Cartesian coordinates of the volume of the layers. The selforganization in phase space stochastic dynamical variables appears during Brownian diffusion due to long-range collective elastic interaction of pores in lattice under condition "open" physical system of ions implantation in the lattice at short time of nucleation (less to 100 microsecond). The examples of structures are presented for conditions of fluctuation instability of the phase transition in a thin layer of silicon carbide upon irradiation with Xe ++ with an ion energy of 5-10keV.

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“…Хранение результатов моделирования происходит в формате aiwlib массива трех-мерных данных [18], для визуализации которых используется пакет im3D [19].…”

Section: обтекание шара моделирование и сравнение результатовunclassified

Simulating three-dimensional unsteady viscous compressible flow on GPU using the DiamondTorre algorithm

Korneev¹,

Levchenko

2018

KIAM Prepr.

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In this paper the approach to simulation of unsteady fluid dynamic problems in terms of the Navier-Stokes system of equations is considered. The numerical scheme is built using the Runge-Kutta discontinuous Galerkin method, approximating the viscous terms with the local discontinuous Galerkin method. A modification of the DiamondTorre algorithm is developped for the geterogeneous implementation of the scheme. The solver based on this algorithm is included into the DTGV software for solving three-dimensional fluid dynamic problems, the results of its validation and performance tests are given. An example of solving the problem of flow past a sphere in three-dimensional setting is presented.

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Kinetics of the formation of pores and a change in the properties of materials in numerical models

Cited by 8 publications

References 12 publications

Aiwlib library as the instrument for creating numerical modeling applications

Aiwlib library as the instrument for creating numerical modeling applications

Structures of Self-Organization of Porosity in Solid

Simulating three-dimensional unsteady viscous compressible flow on GPU using the DiamondTorre algorithm

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