GitHub topics: high-entropy-alloys
killiansheriff/AtomisticReverseMonteCarlo
OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
Language: Python - Size: 10.8 MB - Last synced at: 21 days ago - Pushed at: 4 months ago - Stars: 23 - Forks: 3
raymsm/hea-prop-predict
A command-line tool to provide rapid, approximate estimates for basic properties (density, lattice parameter, thermal conductivity) of High Entropy Alloys (HEAs) based on their elemental composition. It utilizes simple Rule-of-Mixtures (RoM) and Vegard's Law models.
Language: Python - Size: 30.3 KB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 1 - Forks: 0
amkrajewski/PhD-Dissertation
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.
Language: TeX - Size: 212 MB - Last synced at: about 2 months ago - Pushed at: 11 months ago - Stars: 6 - Forks: 0
killiansheriff/WarrenCowleyParameters
OVITO Python modifier to compute the Warren-Cowley parameters.
Language: Python - Size: 1.24 MB - Last synced at: about 1 month ago - Pushed at: 2 months ago - Stars: 28 - Forks: 9
shry-project/SHRY
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.
Language: Python - Size: 3.43 MB - Last synced at: 1 day ago - Pushed at: 2 months ago - Stars: 12 - Forks: 1
PhasesResearchLab/AMMap
Additive Manufacturing Mapping of Compositional Spaces with Thermodynamic, Analytical, and Artificial Intelligence Models
Language: Jupyter Notebook - Size: 23.8 MB - Last synced at: 23 days ago - Pushed at: 23 days ago - Stars: 7 - Forks: 2
catalyticmaterials/cheat
Computational tools for simulation of high-entropy alloy surfaces
Language: Python - Size: 133 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 8 - Forks: 0
abdoulfataoh/alloys-props
Formula-based calculator for alloy properties
Language: Python - Size: 94.7 KB - Last synced at: 25 days ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0
Riaz-404/LAMMPS-HEA-tensile-script
LAMMPS input script for uniaxial tensile simulation of High Entropy Alloy
Size: 132 KB - Last synced at: 9 months ago - Pushed at: 9 months ago - Stars: 0 - Forks: 0
Wilmido/HEA4ORR
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.
Language: Python - Size: 8.72 MB - Last synced at: over 1 year ago - Pushed at: about 3 years ago - Stars: 1 - Forks: 0
