4 papers · 1 filter
Electronic manifolds for extrapolative alloy discovery
Pranoy Ray, Sayan Bhowmik, Phanish Suryanarayana +2
This study presents a computationally efficient framework for accelerated alloy discovery that uses the non-interacting electron density to capture intrinsic structure-property rel…
Data Driven Insights into Composition Property Relationships in FCC High Entropy Alloys
Nicolas Flores, Daniel Salas Mula, Wenle Xu +15
Structural High Entropy Alloys (HEAs) are crucial in advancing technology across various sectors, including aerospace, automotive, and defense industries. However, the scarcity of…
Lean CNNs for mapping electron charge density fields to material properties
Pranoy Ray, Kamal Choudhury, Surya R. Kalidindi
This work introduces a lean CNN (convolutional neural network) framework, with a drastically reduced number of fittable parameters (<81K) compared to the benchmarks in current lite…
Integrated Experiment and Simulation Co-Design: A Key Infrastructure for Predictive Mesoscale Materials Modeling
Shailendra P. Joshi, Ashley Bucsek, Darren C. Pagan +10
The design of structural & functional materials for specialized applications is being fueled by rapid advancements in materials synthesis, characterization, manufacturing, with sop…