Computer Methods in Materials Science
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ISSN 2720-4081
e-ISSN: 2720-3948
Issue Date
2022
Volume
Vol. 22
Number
No 2
Description
Journal Volume
Computer Methods in Materials Science
Vol. 22 (2022)
Projects
Pages
Articles
The effect of model size and boundary conditions on the representativeness of digital material representation simulations of ferritic-pearlitic sample compression
(Wydawnictwa AGH, 2022) Perzyński, Konrad
The main objective of this work is to investigate the representativeness of the digital material representation (DMR) models of ferritic-pearlitic steel generated by the hybrid cellular automata (CA) / Monte Carlo (MC) algorithm. Particular attention is focused on determining the effect of the size of the digital representation model on its representativeness under deformation conditions simulated with the finite element (FE) framework. In addition, the effect of periodic and non-periodic boundary conditions on the deformation behaviour of DMR models is analysed. A dedicated buffer zone approach applied the periodic boundary conditions on non-periodic finite element models. The results of equivalent stresses and strains and their average values are used to evaluate the differences between the models' predictions.
Quantum-inspired evolutionary optimization of SLMoS2 two-phase structures
(Wydawnictwa AGH, 2022) Kuś, Wacław; Mrozek, Adam
The paper focuses on applying a Quantum Inspired Evolutionary Algorithm to achieve the optimization of 2D material containing two phases, 2H and 1T, of Molybdenum Disulphide (MoS$_{2}$ ). The goal of the optimization is to obtain a nanostructure with tailored mechanical properties. The design variables describe the shape of inclusion made from phase 1T in the 2H unit cell. The modification of the size of the inclusions leads to changes in the mechanical properties. The problem is solved with the use of computed mechanical properties on the basis of the Molecular Statics approach with ReaxFF potentials.
Computer modelling of the ablation casting process and prediction of the strength properties of AC-42000 castings
(Wydawnictwa AGH, 2022) Małysza, Marcin; Puzio, Sabina; Major-Gabryś, Katarzyna; Głowacki, Mirosław; Wilk-Kołodziejczyk, Dorota; Kamińska, Jadwiga
The demand for castings with superior properties has compelled the development and optimization of manufacturing technologies. By further developing already known techniques, we are able to contribute to the introduction of new research possibilities. The article presents the methodology of conducting simulation tests of the gravity casting process into sand moulds with the use of ablation. The ablation technique consists in spraying water through evenly spaced nozzles onto a mould into which the liquid casting alloy has been poured. The conducted research focuses on an alloy from the group of Al-Si alloys. In order to compare the effects of different techniques, additional tests were carried out for gravity casting into sand and metal die moulds. At the same time, virtual experiments were conducted to develop a simulation methodology for ablation casting technology, taking into account mould degradation. Additionally, the possibility of predicting the final mechanical properties of various manufacturing technologies was tested. Destructive tests were carried out to determine the mechanical properties in the cast samples, as well as microstructure tests and secondary dendrite spacing. The results of the mechanical tests are compared with the predicted simulation properties.
On changing the properties of a multilayer structure by preliminary processing of a substrate
(Wydawnictwa AGH, 2022) Pankratov, Evgenij Leonidovič
In this paper, the effect of the preliminary processing of a substrate on the properties of a grown heterostructure is investigated. It is shown that the growth of an epitaxial layer on a buffer layer after preliminary annealing (before the growth) makes it possible to decrease the value of mismatch-induced stress. An analytical approach has been introduced for the analysis of mass and heat transfer in a multilayer structure accounting for mismatch-induced stress.
Texture evolution in Mg during rolling with a change of deformation path - a modeling approach
(Wydawnictwa AGH, 2022) Sułkowski, Bartosz
The weakening of strong textures in Mg alloys is a crucial factor in obtaining good quality final products that are less anisotropic. Considerable attention has been focused on experiments to find the optimal chemical composition of alloys or processing conditions. However, to reduce time-consuming experiments, texture simulations can help in specifying future research directions. In the present work, the texture evolution in rolled Mg and its alloys was studied using the viscoplastic self-consistent model. The texture simulations presented in the study cover unidirectional rolling, reverse rolling, and cross rolling of Mg and its alloys to check if the change in deformation path has an impact on the activation of non-basal slip systems. The results obtained in the study may help to design the best processing technology and reduce the mechanical anisotropy of magnesium alloys. Slip systems such as basal, prismatic, and pyramidal were taken into consideration. To reflect the effect of alloying elements on hardening, different values for critical resolved shear stress were considered. Pole figures and slip system activity were investigated to understand the texture evolution during rolling as the deformation path changes. It was found that cross rolling may be the most effective processing technology to reduce strong textures during the rolling of Mg alloys. To activate non-basal systems, critical resolved shear stresses and the Schmid factor must be modified. The former can be changed by increasing the processing temperature, proper alloying elements, or change in the strain rate sensitivity; the latter by changing the deformation path.