December 20, 2025
Journal Article

Computational Design of Alloys for Energy Technologies

Abstract

Advanced materials that maintain their mechanical performance under elevated temperatures, corrosive environments, and a range of static and evolving stresses are needed to improve the efficiency and reduce the environmental impact of a wide spectrum of energy technologies. For instance, cost-efficient alloys that can withstand high temperatures (e.g., 700 ?) have a critical role in improving the efficiency and economics of power generation to support decarbonization of the energy sector; such is true both of the nuclear and fossil energy sectors. In the integrated computational materials engineering (ICME) approach, computational modeling and simulation data from different length and time scales can be combined with complex microstructural details from multimodal experimental characterization and selective property testing to close the design loop for rapid alloy development.

Published: December 20, 2025

Citation

Devanathan R., and L. Capolungo. 2022. Computational Design of Alloys for Energy Technologies. JOM. The Journal of the Minerals, Metals and Materials Society 74, no. 4:1376-1378. PNNL-SA-170234. doi:10.1007/s11837-022-05208-0