Computer Methods in Materials Science
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ISSN 2720-4081
e-ISSN: 2720-3948
Issue Date
2021
Volume
Vol. 21
Number
No 1
Description
Journal Volume
Computer Methods in Materials Science
Vol. 21 (2021)
Projects
Pages
Articles
A model for changing the technological process for the growth of epitaxial layers by means of the heating of the growth zone
(Wydawnictwa AGH, 2021) Pankratov, Evgenij Leonidovič
The nonstationary transfer of heat during epitaxial layer growth in gas phase epitaxy reactors is analyzed within the work. Based on this analysis, several recommendations on the organization of the heating of the growth zone to increase the homogeneity of the epitaxial layers were formulated. An approach to analyze the transfer of heat during epitaxial layer growth from the gas phase is also introduced. The approach leads to the possibility of simultaneously accounting for heat transfer nonlinearity and changes of parameters of heat transfer in both space and time.
The influence of material aging on the structural behavior of a flexible roof with a polymer membrane shell
(Wydawnictwa AGH, 2021) Česnokov, Andrej Vladimirovič; Mihajlov, Vitalij Vital?evič; Dolmatov, Ivan Viktorovič
The roof structure considered in the research consists of continuous cables and a number of spreaders forming a three-dimensional frame. The frame is covered with a polymer membrane made of flexible architectural fabrics. The elements of the roof are compact and suitable for transportation to remote construction sites. The roof also has advantages for developing areas with harsh climatic conditions. The flexible elements of the roof, however, only provide transmission of tensile forces. Under compression, cables slacken and the membrane becomes wrinkled. Pre-tension of the flexible elements, which is introduced to retain the operability of the roof, tends to gradually diminish due to material aging. The aging results in the alteration of strength properties and creep elongation of the structural elements. It induces membrane tearing on local areas. Force alteration in primary structural members is examined in the present study, with statistical methods used for data analysis. They include significance hypothesis testing and correlation coefficients estimation. The data are obtained by the Finite Element simulation of the roof using EASY-2020 software. The results of the work may be used for life expectancy assessment of flexible roof structures, providing important information for the preliminary design stage. The work contributes to the safety enhancement of cable-membrane structures and the expansion of their scope in permanent building constructions.
A numerical simulation study of mold filling in the injection molding process
(Wydawnictwa AGH, 2021) Baum, Markus; Anders, Denis
Injection molding can undoubtedly be regarded as one of the most widely used manufacturing processes for polymers (Guevara-Morales & Figueroa-Lopez, 2014). Furthermore, injection molding has found its way into various branches of industry (Fernandez et al., 2018) since it has several essential advantages over other processing techniques in terms of good surface finish, the ability to process complex parts without the need for secondary operations, and low cost for mass production. In order to find optimal process settings, it is necessary to gain a deeper insight into the filling process and the underlying physical phenomena, as well as a thorough understanding of the complex material behavior. In this context, the numerical simulation of the injection molding process is increasingly important. Therefore, the current contribution is dedicated to present a thorough comparative numerical study for the mold filling of an exemplary thin-walled mold geometry, including a realistic non-Newtonian viscosity model for the polymer melt. For the numerical simulation, the authors employ the commercial CFD software packages Cadmould 3D-F and ANSYS CFX. While ANSYS CFX is a well-established CFD software for numerical modelling of multiphysical phenomena, Cadmould 3D-F is a highly specialized and computationally efficient alternative suitable for certain geometric configurations in the context of injection molding. The present study is new in the sense that it demonstrates the equivalence of the considered software packages for the simulation of the injection molding process in thin-walled mold geometries.
Considering semi-crystallinity in molecular simulations of mechanical polymer properties - using nanoindentation of polyethylene as an example
(Wydawnictwa AGH, 2021) Fritz, Susanne
Molecular dynamic (MD) simulations have been used to investigate the response of semi-crystalline polymers in nanoindentation tests, using polyethylene (PE) as an example. To that purpose, semi-crystalline simulation boxes of linear PE with various chain lengths up to C2000 were created by homogeneous nucleation during the non-isothermal cooling of melts. The final crystallinity depended on the chain length and the cooling rate used and could be estimated using various parameters like density, fraction of bonds in trans conformation, and energy terms. The simulation boxes were transferred into surface models and subjected to nanoindentation tests using non equilibrium MD. This allowed the deformation behaviour of the material to be analysed directly. Strong dependencies on the crystallinity of the PE were found, which underlines the importance of considering crystallinity when investigating the mechanical properties of semi-crystalline polymers by means of simulations.
FFT-based simulation using a reduced set of frequencies adapted to the underlying microstructure
(Wydawnictwa AGH, 2021) Gierden, Christian; Waimann, Johanna; Svendsen, Robert; Reese, Stefanie
Instead of the classical finite element (FE) based microstructure simulation, a Fast Fourier transform (FFT) based microstructure simulation, introduced by Moulinec and Suquet (1994, 1998), also enables the computation of highly resolved microstructural fields. In this context, the microscopic boundary value problem is captured by the Lippmann-Schwinger equation and solved by using Fast Fourier transforms (FFT) and fixed-point iterations. To decrease the computational effort of the fixed-point solver, Kochmann et al. (2019) introduced a model order reduction (MOR) technique based on solving the Lippmann-Schwinger equation in Fourier space with a reduced set of frequencies. Thereby, the accuracy of this MOR technique depends on the number of used frequencies and the choice of frequencies that are considered within the simulation. Instead of the earlier proposed fixed (Kochmann et al., 2019) or geometrically adapted (Gierden et al., 2021b) sampling patterns, we propose a sampling pattern which is updated after each load step based on the current strain. To show the precision of such a strain-based sampling pattern, an elasto-plastic two-phase composite microstructure is investigated.