Mapping Chemical Selection Pathways for Designing Multicomponent Alloys: an informatics framework for materials design.

ABSTRACT: A data driven methodology is developed for tracking the collective influence of the multiple attributes of alloying elements on both thermodynamic and mechanical properties of metal alloys. Cobalt-based superalloys are used as a template to demonstrate the approach. By mapping the high dimensional nature of the systematics of elemental data embedded in the periodic table into the form of a network graph, one can guide targeted first principles calculations that identify the influence of specific elements on phase stability, crystal structure and elastic properties. This provides a fundamentally new means to rapidly identify new stable alloy chemistries with enhanced high temperature properties. The resulting visualization scheme exhibits the grouping and proximity of elements based on thei

SUBMITTER: Srinivasan S 

PROVIDER: S-EPMC4683530 | biostudies-literature | 2015 Dec

REPOSITORIES: biostudies-literature