Data Source Type: Modeling and Simulation

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  • Demo: SCPD Data Tool

    7 Resources
    Semiconductor Stability Phase Diagram is a data tool created by LLNL and implemented by NREL NOTE: There are a specific set of files required with a specific naming convention,...
  • fig4a

    4 Resources
    Calculated formation energy of (0001 ̅) c-plane GaN surfaces. The density-functional theory (DFT) calculations were performed with the generalized gradient approximation, using...
  • fig4b

    4 Resources
    Calculated formation energy of (1010 ̅) m-plane GaN surfaces. The density-functional theory (DFT) calculations were performed with the generalized gradient approximation, using...
  • GWE Hybrid S Datasets

    3 Resources
    Sheets 1-2: Sulfuric acid high temperature decomposition stream data (E-NRTL Model, simulated in ASPEN Plus, 3/19/2018). Data available from process modeling simulations (using...
  • BCM polytype structures from DFT

    4 Resources
    This dataset contains structure files and results of density functional theory (DFT) calculations for the 12R (ground state) and 10H (metastable at ambient temperature)...
  • Demo: MgB2 and B203 Simulation Data versus experimental MgB2 Multi-Spectra Da...

    4 Resources
    The Advanced Multi-spectra data view parses many columns from the same csv and parses many csv resources. To set up the view, add Multi-spectra Data Tool metadata to each...
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