Computation Aided Design Of Multicomponent Refractory Alloys With A Focus On Mechanical Properties

Quantum mechanical calculations paired with exponential growth in computer processing speed has created a paradigm shift in materials discovery. Simulations can be carried out to accurately predict structure-composition-property relationships of novel systems. This work focuses on calculating elastic properties of high entropy alloys, a new class of alloys that are built from 4+ elements in equi-atomic proportion. These alloys often exhibit simple microstructures and each constituent element contributes its properties to the overall bulk properties of the amalgamated material. This "cocktail" effect has led to the discovery of many alloys which could drive technical advances in the future. Elastic properties of a solid are important because they relate to various fundamental solid-state properties and are thermodynamically linked to the specific heat, thermal expansion, Debye temperature, and melting point. The refractory based system, Monbtaw, studied in this research, was found to have a young's modulus of approximately 300 GPA. The elastic modulus decreased with addition of titanium over 11- 33 atomic percent. The elastic modulus however, was unchanged when adding vanadium at 11%, but saw a decrease in the range of 20% to 25%. The calculations also helped in predicting alloy compositions in which a single-phase solid solution exists, which is vital for capturing the cocktail effect of these alloys.

Name thesis:degree_name

M.S. in Engineering Science

Level thesis:degree_level

Thesis

Discipline thesis:degree_discipline

Mechanical Engineering

Year dc:date.available

2016

Author dc:creator

• Clark, Paul Daniel

Contributors dc:contributor

• Amrita Mishra
• Tejas Pandya
• Joseph R. Gladden

• Alloys
• Elastic
• Entropy
• Modeling
• Materials Science and Engineering

Repository record dc:identifier

https://egrove.olemiss.edu/etd/1072

OAI identifier oai:identifier

oai:egrove.olemiss.edu:etd-2071