Materials Science Ontology Design with an Analytico-Synthetic Facet Analysis Framework

TL;DR

This paper introduces the PSPP framework for designing materials science ontologies, demonstrated through case studies on aerogel and battery cathode ontologies, aiming to streamline ontology development.

Contribution

It presents the PSPP framework and HIVE4MAT tool as novel approaches to facilitate and accelerate materials science ontology creation.

Findings

PSPP framework provides a useful rubric for ontology development.

HIVE4MAT demonstrates practical application of PSPP relationships.

Framework potentially reduces time and effort in ontology creation.

Abstract

Researchers across nearly every discipline seek to leverage ontologies for knowledge discovery and computational tasks; yet, the number of machine readable materials science ontologies is limited. The work presented in this paper explores the Processing, Structure, Properties and Performance (PSPP) framework for accelerating the development of materials science ontologies. We pursue a case study framed by the creation of an Aerogel ontology and a Battery Cathode ontology and demonstrate the Helping Interdisciplinary Vocabulary Engineer for Materials Science (HIVE4MAT) as a proof of concept showing PSPP relationships. The paper includes background context covering materials science, the PSPP framework, and faceted analysis for ontologies. We report our research objectives, methods, research procedures, and results. The findings indicate that the PSPP framework offers a rubric that may help guide and potentially accelerate ontology development.