OVITO Python modifier to compute the Warren-Cowley parameters.
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Nov 7, 2024 - Python
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high-entropy-alloys
Here are 11 public repositories matching this topic...
OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
monte-carlo monte-carlo-simulation materials-science ovito order-parameters high-entropy-alloys reverse-monte-carlo warren-cowley-parameters python-modifiers
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Nov 21, 2024 - Python
Computational tools for simulation of high-entropy alloy surfaces
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Dec 17, 2024 - Python
SHRY (Suite for High-throughput generation of models with atomic substitutions implemented by python) is a tool for generating unique ordered structures corresponding to a given disordered structure.
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Jan 30, 2024 - Python
Additive Manufacturing Mapping of Compositional Spaces with Thermodynamic, Analytical, and Artificial Intelligence Models
path-planning artificial-intelligence cracking graph-representation fgm additive-manufacturing calphad hea computational-thermodynamics materials-discovery simplex-space high-entropy-alloys functionally-graded-materials
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Dec 4, 2024 - Jupyter Notebook
My "Efficient Materials Informatics between Rockets and Electrons" PhD Dissertation in Materials Science and Engineering, defended on May 20th 2024, concisely spanning 352 pages and 109 figures.
machine-learning materials graph-algorithms artificial-intelligence phd materials-informatics phd-dissertation database-design additive-manufacturing high-entropy-alloys
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Jul 10, 2024 - TeX
Predictive Modeling of High-Entropy Alloys and Amorphous Metallic Alloys Using Machine Learning
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May 19, 2024 - Python
Screen high entropy alloys(HEA) as electrocatalyst for ORR, by using regression model to predict the *OH absorbation energy.And feature engineering is also used to data augment.
machine-learning genetic-algorithm feature-engineering oxygen-reduction-reaction high-entropy-alloys electrocatalysts adsorption-energy
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May 13, 2022 - Python
LAMMPS input script for uniaxial tensile simulation of High Entropy Alloy
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Aug 25, 2024
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Sep 8, 2024 - Jupyter Notebook
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