Multidimensional Analysis for Correlation of Mechano-Physico-Chemical Attributes With Bio-Functionality in Eight TiNbZrSnTa (TNZST) Alloys (June 2025)

This presentation was given by Carmen Torres-Sanchez and Paul Conway at the “3rd World Congress on Artificial Intelligence in Materials & Manufacturing (AIM2025)”, June 15-19, 2025. This event took part in Anaheim, California and was part of the TMS Specialty Congress 2025 which brought together researchers, industry leaders, and government stakeholders to explore the integration of AI within materials science, engineering and manufacturing.

AIM2025 was a joint co-located session along with the “8th World Congress on Integrated Computational Materials Engineering (ICME 2025)” and the “7th International Congress on 3D Materials Science (3DMS 2025)”.

Abstract –  Data-enabled approaches with experiments allow exploration of the inter-play between chemical, physical and mechanical attributes of alloys with their impact on biological behaviours. Characterisation of bulk and surface properties has been performed on eight exemplar TiNbZrSnTa of different allotropes. Their β or β+α′ (α″) crystal structure defined their mechanical properties, with dual β+α″ more suitable for load-bearing applications. As these are intended for implantation, surface assessment was a primary focus. A statistical correlation was undertaken between oxide layer composition, layer thickness, surface free energy and contact angles, and behaviour of cells progressing through adhesion, attachment, proliferation, differentiation and to maturation. Pairwise Pearson coefficient correlations, visualised in a heat-map matrix, allows elucidation of inferred agnostic correlations and supported the study of primary physical and chemical attributes most affecting cell behaviour; enabling both identification of primary contributors to osteoblastogenesis and, which experimental tests reveal stronger predictors for osteogenesis in these TNZST alloys.