Journal of Materials Informatics
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fig7

From:  Big data-assisted digital twins for the smart design and manufacturing of advanced materials: from atoms to products
Big data-assisted digital twins for the smart design and manufacturing of advanced materials: from atoms to products

Figure 7. Workflow diagrams based on Atomate. (A) Elastic tensor workflow together with Atomate dependencies[60]. (B) Workflow of DFTTK software for Gibbs energy at finite temperatures[41]. DFTTK: Density functional theory toolkit.

Journal of Materials Informatics
ISSN 2770-372X (Online)
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