Date of Graduation
Fall 2019
Degree
Master of Science in Materials Science
Department
Physics, Astronomy, and Materials Science
Committee Chair
Ridwan Sakidja
Abstract
We initiated the development of multi-component EAM potentials for Aluminides and Carbides, key phases in Ni-based Superalloys. The goal is to utilize the MD simulation to understand the deformation dynamics that contribute to the formation of voids and creep initiation. For this purpose, we constructed the raw data from ab-initio (molecular dynamics) MD simulations fed into the potential development code and used Nickel as the base metal with the addition of a number of various elements including Aluminum, Chromium, Tungsten. We then developed the EAM potentials for the aluminide and carbide phases using the force-fitting code MEAMfit. Our generated potential reproduces the fundamental properties of the Ni3Al and Mo23C6 phases. We verified further the EAM potential through the thermal stability test at different temperatures and by reproducing the elastic constants consistent with the experimental values.
Keywords
interatomic potential, molecular dynamics, ab-initio data, Ni3Al, Thermal Stability, elastic constants
Subject Categories
Other Materials Science and Engineering
Copyright
© Muztoba Rabbani
Recommended Citation
Rabbani, Muztoba, "Development of Multicomponent EAM Potential for Ni-Based Superalloy" (2019). MSU Graduate Theses. 3460.
https://bearworks.missouristate.edu/theses/3460
