CoSMoR: Decoding decision-making process along continuous composition pathways in machine learning models trained for material properties

D Beniwal, PK Ray - Physical Review Materials, 2023 - APS
A key challenge in materials informatics is to decode the decision-making process of
machine learning (ML) models that have been trained to predict material properties. The …

Understanding solidification of near eutectic alloy using Cellular Automata (CA)

I Roy, M Rolchigo, J Coleman, S Chen… - Computational Materials …, 2024 - Elsevier
The solidification microstructure of an alloy strongly influences the mechanical properties.
Dendritic and eutectic solidification are two important pathways of alloy solidification. The …

Predictions and correlation analyses of Ellingham diagrams in binary oxides

SL Shang, S Lin, MC Gao, DG Schlom… - arXiv preprint arXiv …, 2023 - arxiv.org
Knowing oxide-forming ability is vital to gain desired or avoid deleterious oxides formation
through tuning oxidizing environment and materials chemistry. Here, we have conducted a …

[HTML][HTML] Ellingham diagrams of binary oxides

SL Shang, S Lin, MC Gao, DG Schlom, ZK Liu - APL Materials, 2024 - pubs.aip.org
Controlling the oxidation state of constituents by tuning the oxidizing environment and
materials chemistry is vital to the successful synthesis of targeted binary or multicomponent …

Molecular Dynamics Simulations of Diffusivity in an Atomic Scale Diffusion Multiple

Jhalak, D Beniwal, PK Ray - … on Fundamental and Industrial Research in …, 2023 - Springer
Accurate measurement of diffusivity is critical for several diffusion-controlled materials
phenomena ranging from creep to oxidation. Experimental measurements of diffusion …