|About this Abstract
||MS&T23: Materials Science & Technology
||Computational Discovery, Understanding, and Design of Multi-principal Element Materials
||A New Modified Embedded Atom Method Potential to Understand Plasticity in VNbTaTiZr High Entropy Alloy
||Mashroor Nitol, Khanh Dang, Chanho Lee, Saryu Fensin
|On-Site Speaker (Planned)
The exceptional mechanical properties of single-phase solid-solution refractory high-entropy alloys (HEAs) include a high yield strength and softening resistance at high temperatures. As a result, investigating the previously unique deformation mechanisms necessitates a lower length scale investigation thorough investigation of the deformation behavior for body-centered cubic (BCC) refractory HEAs. We developed a new MEAM (modified embedded-atom method) potential to study the elastic and plastic deformation behavior of a single BCC VNbTaTiZr refractory HEA. While machine learning potentials are better at capturing all mechanical properties, our focus for this work was solely on the deformation behavior of this HEA alloy. Hence, the meta parameters for the MEAM potential were modified to reproduce the stacking fault energies of single, binary, and ternary HEA elements. At atomistic scale the new potential helps to understand deformation behavior this HEA alloy which includes studying slip, and the effect of alloying on dislocation velocity as well.