3 papers
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…
cond-mat.mtrl-sci2025
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…