yuhaowang2018 / Monte-Carlo-Simulation-of-Metamagnetic-Heusler-Alloys

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Monte Carlo Simulation of Heusler Alloys

Usage:

The Monte Carlo simulation's implementation is inside "simulation" folder. To calibrate the model parameters, compile the c++ program and put the excutable inside the "parameter_tuning" folder and run the Python program.

Introduction:

  • Implemented Monte Carlo simulation with Metropolis algorithm using C++.
  • Potts model was used based on Hamiltonian with interchanges between elastic, chemical and magnetic free energy.
  • Gaussian process and efficient global optimization were used to efficiently calibrate model parameters.

Sample output for Ni-Co-Mn-In

  • Strain distortion:

alt text

  • Magnetic transformation:

alt text

About

License:MIT License


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Language:C++ 94.3%Language:Python 5.6%Language:Makefile 0.2%