Date of Award
9-11-2024
Document Type
Thesis
Degree Name
Mechanical Engineering, MSME
First Advisor
Robert Fleming
Committee Members
Paul Minor, Shivan Haran
Call Number
ISBN 9798384077435
Abstract
Many materials used for solid lubrication are expensive and difficult to replace after abrasive wear, thus new compounds have to be considered and explored for their feasibility in solid lubrication. Nickel-chromium alloys are a potential replacement due to its high chemical and thermal stability, and Ti3SiC2 nanoparticle inclusions are considered to improve the wear rate of these materials. In this study, molecular dynamics (MD) simulations are utilized to assess the mechanical behavior of NixCr (x = 1, 2, 3, 4) alloys with and without Ti3SiC2 nanoparticle inclusions of radii 13, 20, and 27 Å. MD uniaxial tension tests are conducted with the angularly dependent potential (ADP) to describe the NixCr interactions, a Tersoff potential to describe the Ti3SiC2 interactions, and the Lennard-Jones potential modeling the interactions between the NixCr matrix and Ti3SiC2 inclusion. Young’s modulus is calculated from simulated stress-strain data for each material model, using strain rates of 0.1/ns and 0.01/ns up to 5% total strain. The sensitivity of the elastic modulus values on the Lennard-Jones ε and σ parameters is determined. In addition, cubic supercells of Ni2Cr and Ni4Cr are subjected to shear strain testing to extract the shear moduli in the presence of Ti3SiC2 inclusions. For these simulations, shear strain rates of 0.1/ns are used up to a total strain of 10% for those with inclusions and 20% for the pure alloys to ensure yielding. Finally, the dislocation dynamics of pure Ni, Ni2Cr, Ni4Cr, as well as the compounds with the three sized inclusions, were assessed during applied shear strain. This study characterizes the mechanical behavior of NixCr (x = 1, 2, 3, 4) with Ti3SiC2 inclusions to support future experimental investigations to assess their feasibility as a solid lubricant.
Rights Management
This work is licensed under a Creative Commons Attribution 4.0 International License.
Recommended Citation
Crutchfield, Brendan Martin, "Mechanical behavior of NixCr alloys with Ti3SiC2 nanoparticle inclusions using molecular dynamics" (2024). Student Theses and Dissertations. 58.
https://arch.astate.edu/all-etd/58
