Ab-initio data repository for physics-informed data-driven model
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下载链接：
https://zenodo.org/record/13236873
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资源简介：
Ab-initio Data Repository for Physics-Informed Data-Driven Model
This repository saved the precise Density Functional Theory (DFT) calculations and Vienna Ab initio Simulation Package (VASP) codes to provide a comprehensive dataset for physics-informed models. It specifically considers the steelmaking process by focusing on different types of non-metallic inclusions (NMIs) within the steel melt.
Data Sets Included:
Hamaker Constants values
Coagulation coefficients and Entrapment Probabilities
Kinematic Viscosity of SAE 1055 steel
Dynamic Viscosity of SAE 1055 steel
Dielectric function of oxides
Lattice parameters for molten and bulk Iron
Surface Tension of molten Fe.
Purpose and Application: This repository is designed to support advanced physics-informed modeling approaches, such as those using machine learning algorithms to predict clogging and inclusion behaviors in steelmaking processes.
The datasets includes following types of NMIs with detailed characteristics in the size range of 1-10 µm:
Al2O3
CaO
MgO
MgAl2O4
CaS
ZrO2
创建时间：
2024-12-23
