2 papers
cond-mat.mtrl-sci2025
An Active Learning Interatomic Potential For Defect-Engineered CoCrFeMnNi High-Entropy Alloy
Manish Sahoo, Akash Deshmukh, Yash Kokane +2
High-entropy alloys (HEAs) exhibit exceptional properties arising from a combination of thermodynamic, kinetic and structural factors and have found applications in numerous fields…
cond-mat.mtrl-sci2025
Toward Sustainable Polymer Design: A Molecular Dynamics-Informed Machine Learning Approach for Vitrimers
Yiwen Zheng, Agni K. Biswal, Yaqi Guo +5
Vitrimer is an emerging class of sustainable polymers with self-healing capabilities enabled by dynamic covalent adaptive networks. However, their limited molecular diversity const…