Design Practice and Method Modeling of Composite Material Chip Metadata Based on MGE Data General Rules

Yongchao LU, Lanting ZHANG*, Hong WANG

 Materials Genome Initiative Center, School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai, 200240, China

ABSTRACT: With the advancement of the concept of material genetic engineering, the new paradigm of data-driven materials research and development has become increasingly clear. The problem of material data standardization has become more and more prominent, and the disorder of data format content restricts the speed of material law exploration under the new situation. The FAIR (findable, accessible, interoperable, and reusable) principle is the benchmark specification for scientific data. Based on this, the committee of China Standards of Testing and Materials (CSTM) formulated and issued the group standards named General Rule for Materials Genome Engineering Data (General Rule), which stipulate the composition of material genetic engineering data and the information that must be included in it. However, it did not provide actual methods and practical cases on how to formulate specific material data standards. Material metadata is the structured data of material information, which determines the type range and framework of subsequent specific data. Based on the metadata design practice of the composite material chip preparation and characterization experiment, this work models the metadata design method that meets the specific material data standards of the General Rule to provide a reference for the standardization of material data.

This work uses ion beam deposition (IBD) composite material chip preparation technology to sequentially combine and integrate different elements/materials on the substrate to form a sample with continuous distribution of components. Then XRD, XRF and other characterization methods are used to characterize & analyze the composition and phase of the sample. According to the classification of material data in the General Rule, sample information metadata, characterization metadata, and analysis derived metadata are respectively formulated. Combining the principles, processes and related equipment parameters of each link to conduct metadata collection, screening and correlation analysis to ensure the comprehensive effectiveness and interoperability of information. Use unique and permanent digital resource identification technology to identify metadata to ensure data findability. Relational structure and Internet architecture are used in metadata design to ensure the availability of data. In addition, focus on t the readability of information to ensure the reusability of information.

Combined with the standardized metadata design practice of the combined chip, establish a universal standardized "material metadata information flow" model, as shown in Figure 1:  I. Combining principle analysis, process drawing, equipment parameter collection and other methods, establish the carrying entity of information flow, that is, the main body "channel" of information flow.  II. The circulation channel of the information flow should be closed and continuous to avoid information interruption, which means that metadata should be collected strictly according to the information flow channel, and important information should be selected to ensure the integrity of the information flow.  III. The information circulating in the information channel should be intuitive and visible. For example, for non-standard documents, the software and version must be clearly read to ensure the readability of the information.  IV.  Each information stream should be distinguishable, which means that a single piece of information should be encoded with a unique identification code to ensure its uniqueness and searchability within the information channel.  V. Use the standard vocabulary of material genetic engineering data to avoid ambiguity during interaction.

Figure 1.  Material metadata information flow model

Keywords: Data-driven; FAIR; Combined material chip; Material metadata information flow model