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Beyond bulk single crystals: A data format for all materials structure–property–processing relationships

Published online by Cambridge University Press:  02 August 2016

Kyle Michel  and
Bryce Meredig
Kyle Michel
Affiliation:
Citrine Informatics, USA; kyle@citrine.io
Bryce Meredig
Affiliation:
Citrine Informatics, USA; bryce@citrine.io
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Abstract

Methods used in informatics require input data that are in a machine-readable, structured format. Materials data, in particular, can be exceedingly complex, so defining data formats to store any and all materials-related information is a daunting task. In this article, we discuss a hierarchical data structure used for storing materials data called the physical information file (PIF). The PIF is a flexible schema for storing the structure, processing history, and properties of materials, devices, and physical systems. In addition to a general discussion of the schema, we give examples of its use in representing complex materials systems. We also describe open-source tools that have been developed for building and reading files using the PIF schema.

Keywords

alloycompounddevicesmicrostructurepolymer
Type
Research Article
Information
MRS Bulletin , Volume 41 , Issue 8: Microstructure Informatics in Process–Structure–Property Relations , August 2016 , pp. 617 - 623
Copyright
Copyright © Materials Research Society 2016 

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