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High-Temperature HEA Prediction Dataset
Data Science and Analytics
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About
Yield strength at high temperature serves as a critical parameter in the design and application of high entropy alloys (HEAs). Experimental measurement of this parameter is often costly, complicated, and time-consuming. Consequently, identifying and applying robust methods for accurate prediction using experimental and simulation data is essential. This dataset provides yield strength values alongside various chemical and physical properties to facilitate the development of such predictive models.
Columns
- ID: Index identifier for the record.
- Alloy: Chemical composition of the alloy.
- Diff. Lattice Constants: Difference in lattice constants.
- Diff. Melting Point: Difference in melting points.
- Mixing Enthalpy: Enthalpy liberated or absorbed from a substance upon mixing.
- Lattice Constants: Constant distance between unit cells in a crystal lattice.
- Lambda: Constant parameter.
- Diff. in atomic radii: Distance from the centre of the nucleus to the outermost shell of an atom.
- Omega: Experimental constant.
- Melting Temp.: Melting temperature.
- Diff. Electronegativity Allen: Difference in electronegativity based on the Allen scale.
- Diff. Electronegativity Pauling: Difference in electronegativity based on the Pauling scale.
- Diff. Shear modulus: Difference in shear modulus.
- Avg shear modulus: Average shear modulus.
- Mixing Entropy: Entropy of mixing.
- Valence electron: Valence electron count.
- YS (MPa): Yield strength of the alloy.
Distribution
The dataset is provided in a CSV format named
Alloy_Yield_Strength.csv with a file size of approximately 28.74 kB. It contains 160 valid rows and 17 columns. The data exhibits 100% validity with zero mismatched or missing values across the records.Usage
- Predictive Modelling: Developing algorithms to predict yield strength at high temperatures without conducting expensive experiments.
- Material Design: Assisting in the formulation of new high entropy alloys by analysing relationships between atomic properties and mechanical strength.
- Simulation Validation: Benchmarking simulation results against experimental yield strength data.
Coverage
The data covers mechanical and atomic properties for high entropy alloys (HEAs) and refractory high entropy alloys. The chemical compositions included range from complex mixtures such as
AlCrFeNiMo0.5 and Hf0.5Mo0.5NbTiZr to other multi-component systems. The dataset encompasses thermal, physical, and electronic properties relevant to materials science research.License
CC0: Public Domain
Who Can Use It
- Materials Scientists: For researching the mechanical behaviour of refractory and high entropy alloys.
- Metallurgists: For investigating phase stability and strength mechanisms.
- Data Scientists: For training machine learning models to predict material properties.
- Chemical Engineers: For analysing mixing enthalpy and entropy in complex alloy systems.
Dataset Name Suggestions
- High Entropy Alloy Yield Strength Data
- Refractory Alloy Mechanical Properties
- High-Temperature HEA Prediction Dataset
- Alloy Atomic and Mechanical Metrics
Attributes
Original Data Source: High-Temperature HEA Prediction Dataset
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