112 citations · 113 across the 9 of their papers we have counts for
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Coercivity-Aware Machine Learning Discovery of Rare-Earth-Free Soft Magnetic Alloys with First-Principles Magnetic Benchmarks
Avik Mahata, David Priefer
Coercivity-aware machine learning is developed to screen rare-earth-free soft magnetic alloys using Curie temperature and coercivity as coupled design targets. A compiled experimen…
Machine Learning Guided CALPHAD Design of Ru-Stabilized BCC B2 Refractory Alloys
Nathan Peterson, Avik Mahata, Nick Beaver +1
Refractory alloys with a ductile body-centered-cubic (BCC) matrix strengthened by ordered B2 precipitates offer a high-temperature analogue to the gamma/gamma-prime architecture of…
Transferable Graph Neural Network Surrogates for Molecular Dynamics Across Crystal Symmetries
Judah Immanuel, Avik Mahata, Aniruddha Maiti
We present a transferable graph neural network (GNN) surrogate framework for molecular dynamics (MD) that directly predicts atomic displacements and propagates atomistic configurat…
First Principles Thermodynamics of Zr B Segregation at Grain Boundaries in Recycled Nd2Fe14B
Avik Mahata, Miha Zakotnik
Grain-boundary chemistry is central to the coercivity and thermal stability of Nd2Fe14B permanent magnets, particularly in recycled magnets where recovery of the hard-magnetic phas…
Interfacial Accommodation as a Candidate Ductility Pathway in Intermetallic-Rich Alloys
Avik Mahata
Heterophase interfaces are increasingly recognized as active participants in plastic deformation, yet quantitative methods for comparing their strain-accommodation capacity remain…
Atomistic Indicators of the Ductile-to-Brittle Transition in Polycrystalline Tungsten: Temperature and Rhenium Effects on Crack-Tip Plasticity
Divyesh Mistry, Avik Mahata
The fracture response of body-centered-cubic tungsten is governed by competition between crack-tip instability and dislocation-mediated plastic accommodation. Molecular dynamics (M…
Ductility Design Rules for Tungsten based Refractory High Entropy Alloys from Sparse Experimental Datasets
Avik Mahata, Nick Beaver
Tungsten-based refractory high-entropy alloys (RHEAs) are promising materials for fusion applications but often remain brittle at room temperature because of tungsten's high ductil…
Predicting Coherent B2 Stability in Ru-Containing Refractory Alloys Through Thermodynamic Elastic Design Maps
Avik Mahata
Ruthenium-based B2 intermetallics are promising for refractory superalloys but are limited by the trade-off between high thermodynamic stability and elastic precipitation strain. W…