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Meeting MS&T22: Materials Science & Technology
Symposium Multi Scale Modeling of Microstructure Deformation in Material Processing
Presentation Title Multi Scale Modeling of Elastic Properties of FeMnNiCoMo System
Author(s) Kamil Cichocki, Tomasz Kargul, Piotr Bala, Krzysztof S. Muszka
On-Site Speaker (Planned) Krzysztof S. Muszka
Abstract Scope High entropy alloys (HEA) are relatively new group of metallic materials that offer new, enhanced properties and show potenial in various fields of applications. In the current research, Ab-initio and molecular dynamic simulation approach to analyze the effect of chemical composition (Mo content) on phase stability and elastic properties of the FeMnNiCoMo system, was applied. For elastic constants calculations Thermo_pw module for Quantum Espresso was used. The solid solution models were prepared using the special quasi-random structures. Finally, the anisotropies of bulk, shear and Young moduli as well as Poisson's ratio, were calculated both for solid solution and for μ phase. Finally, by comparison of experimentally measured and calculated thermal expansion coefficient it was proven that the proposed modeling approach shows potential in prediction of elastic properties of complex HEA systems.
Proceedings Inclusion? Planned: Other (journal publication, etc.; describe below)

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Development of the Random Cellular Automata Model of Unconstrained Grain Growth
Hardness-dependent Plasticity and Damage Initiation Within Simulated Tension-shear Testing of AHSS Resistance Spot Welds
Microstructure Based Computational Analysis of Heterogeneous Materials
Multi Scale Modeling of Elastic Properties of FeMnNiCoMo System
New Insights into the Cube Texture Development during Recrystallization of High to Medium SFE FCC Metals
PRISMS-fatigue: A General Framework for Fatigue Analysis in Polycrystalline Metals and Alloys Using the Crystal Plasticity Finite Element Method
Stochastic Model Describing Phase Transformations in Steels Accounting for a Random Character of Nucleation

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