4 papers · 1 filter
Achieving DFT accuracy in short range ordering and stacking fault energy using moment tensor potential for CoCrFeNi and CoCrNi
Mashroor S. Nitol, Artur Tamm, Subah Mubassira +2
Medium-entropy alloys (MEAs) such as CoCrFeNi and CoCrNi are promising structural materials owing to their outstanding mechanical and thermal properties, which arise from complex c…
Evaluating Moment Tensor Potential in Ag-Cu Alloy: Accuracy, Transferability, and Phase Diagram Fidelity
Mashroor S. Nitol, Marco J. EcheverrÃa Iriarte, Doyl E. Dickel +1
A Moment Tensor Potential (MTP) has been developed for the Cu-Ag binary alloy and its accuracy, transferability, and thermodynamic fidelity evaluated. The model was trained on a di…
The structure and migration of twin boundaries in tetragonal -Sn: an application of machine learning based interatomic potentials
Ian Chesser, Mashroor Nitol, Esther C. Hessong +7
Although atomistic simulations have contributed significantly to our understanding of twin boundary structure and migration in metals and alloys with hexagonal close packed (HCP) c…
Predicting Ti-Al Binary Phase Diagram with an Artificial Neural Network Potential
Micah Nichols, Christopher D. Barrett, Doyl E. Dickel +2
The microstructure of the Ti-Al binary system is an area of great interest as it affects material properties and plasticity. Phase transformations induce microstructural changes; t…