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    Lessons from a Case Study of Property Databases in Materials Development

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    Since computational science has come to be widely adopted in research and development, various databases and models have been developed. Their industrial applications, however, are limited to specific cases. The author analyzed various cases that he experienced in his company and pointed out several key issues that impede industrial applications. They are (1) development of theoretical models and versatile databases having high compatibility with models, (2) study of interfacial conditions for the integration of simple systems into a complex system, (3) development of the methods for appropriate utilization of analog information, and (4) generation of useful data from existing databases. He further discussed (1) the integrated study of the structural influence on material properties, (2) databases for non-linear or time-dependent objects, and (3) databases and models for objects of large-scale and heterogeneous elements. In these discussions, he emphasized that anthropo-technological matters that bridge the gap between humans and technology will increase in importance.


    database, computational science, mold flux, silicon single crystal, higher tensile strength steel, thermodynamic calculation, diffusion of point defect, prediction of material properties

    Author Information:

    Tomiura, A

    Committee/Subcommittee: E04.01

    DOI: 10.1520/STP13759S