|About this Abstract
||MS&T23: Materials Science & Technology
||Multi Scale Modeling of Microstructure Deformation in Material Processing
||K-5: Assessment of the Elastic Properties of FeMnNiCoMo System Based on the Nanoindentation Measurements and Molecular Dynamic Simulations
||Krzysztof S. Muszka, Kamil Cichocki, Jakub Kawałko, Piotr Bała
|On-Site Speaker (Planned)
||Krzysztof S. Muszka
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. Young moduli as a function of crystallographic orientations were assessed using nanoindentation measurements what allowed for calculation of the anisotropies of bulk, shear and Young moduli as well as Poisson's ratio. The proposed modeling approach shows potential in prediction of elastic properties of complex HEA systems and can be sucesfully applied in predition of the mechanical behaviour od such materials.