About this Abstract |
Meeting |
MS&T21: Materials Science & Technology
|
Symposium
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High Entropy Materials: Concentrated Solid Solutions, Intermetallics, Ceramics, Functional Materials and Beyond II
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Presentation Title |
Control of Local Distortions in High-entropy Oxides |
Author(s) |
Keivan Esfarjani, Jonathan Kaufman |
On-Site Speaker (Planned) |
Keivan Esfarjani |
Abstract Scope |
Lattice distortion in high entropy alloys is postulated to have major effects on these alloys and their properties. There are limited studies that look at the effect of lattice distortion on entropy-stabilized oxides. In this study, we explore the effect of bond strength, atomic size and temperature on distortions in the entropy-stabilized oxide, MgCoNiCuZnO5. This work uses molecular dynamics to identify the explicit distances that each atom and atom type distorts from its parent rocksalt crystal structure as a function of temperature. This study shows that this material can be optimized to either increase or decrease the total lattice distortion in the system by appropriately changing the atomic composition or by replacing certain elements with alternative elements. Details of our findings will be discussed in this talk. |