112 citations · 113 across the 9 of their papers we have counts for
12 papers
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…
Toward Generalizable Surrogate Models for Molecular Dynamics via Graph Neural Networks
Judah Immanuel, Avik Mahata, Aniruddha Maiti
We present a graph neural network (GNN) based surrogate framework for molecular dynamics simulations that directly predicts atomic displacements and learns the underlying evolution…
Development and Validation of Interatomic Potential for Sc and Al-Sc Alloys: Thermodynamics, Solidification, and Intermetallic Ordering
Avik Mahata
We present a second-nearest-neighbor Modified Embedded Atom Method (2NN--MEAM) potential for Scandium (Sc) and Aluminum-Scandium (Al--Sc) alloys that unifies cohesive, thermodynami…
Understanding Homogeneous Nucleation in Solidification of Aluminum by Molecular Dynamics Simulations
Avik Mahata, Mohsen Asle Zaeem, Michael I. Baskes
Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics (MD) simulations utilizing the second nearest neighbor modified embedded atom met…
Smooth Curve from noisy 2-Dimensional Dataset
Avik Kumar Mahata, Utpal Borah, Aravind Da Vinci +2
In this paper we will be represent the transformation of a noisy dataset into a regular and smooth curve. We performed torsion test on 15Cr 15Ni Titanium modified austenitic stainl…