Sustainability indicators in high entropy alloy design: an economic, environmental, and societal database

This work introduces a comprehensive dataset and framework for assessing the sustainability of high entropy alloys (HEAs) and other metallic alloys. The dataset includes nine crafted indicators—raw material price, supply risk, normalized vulnerability to supply restriction, embodied energy, water usage, rock-to-metal ratio, human health damage, human rights pressure, and labor rights pressure—for 18 elements: Al, Co, Cr, Cu, Fe, Hf, Mn, Mo, Nb, Ni, Re, Ru, Si, Ta, Ti, V, W, and Zr. This methodology evaluates economic viability, environmental impact, and societal implications using alloy compositions as input. The Python package, AlloySustainability, streamlines indicator computation and enables users to benchmark alloys against a database encompassing 340 HEAs and over 240 conventional steels and Ni-based superalloys. By integrating these tools with principles of responsible and informed design, this work promotes transparency and fosters innovative alloy development. The dataset and tools, freely available on GitHub, empower the scientific community to advance sustainable practices in metallurgy.