high-entropy-alloys

There are 0 repository under high-entropy-alloys topic.

• AtomisticReverseMonteCarlo

  killiansheriff / AtomisticReverseMonteCarlo

  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.

  high-entropy-alloysmaterials-sciencemonte-carlomonte-carlo-simulationorder-parametersreverse-monte-carlowarren-cowley-parametersovitopython-modifiers
  Language:Python 18
• WarrenCowleyParameters

  killiansheriff / WarrenCowleyParameters

  OVITO Python modifier to compute the Warren-Cowley parameters.

  high-entropy-alloysmaterials-scienceorder-parameterswarren-cowleyovitopython-modifiers
  Language:Python 18

• 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.

  ab-initio-simulationselectronic-structurehigh-entropy-alloyshigh-performance-computing
  Language:Python 4

• 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.

  feature-engineeringgenetic-algorithmmachine-learningoxygen-reduction-reactionadsorption-energyelectrocatalystshigh-entropy-alloys
  Language:Python 1