Optimising microstructures numerically (OMicroN). Full field physics-based simulation package for metallic microstructure during treatments. The package includes solid state transformations (phase transformations, recrystallization, grain growth) as well as solute redistribution (carbon partitioning / diffusion / trapping to defects).

1. System Requirements
2. Installation
   • Cloning the Repository
   • Installing Dependencies
   • Building the Source Code
3. Running OMicroN
4. Input Files
5. Running an Example

Before installing OMicroN, ensure your system meets the following requirements:

• Operating System: Linux-based systems
• Compiler: GCC (g++) version 7.5+ with C++17 support
• Build System: make
• Required Libraries:
  • Eigen3: Matrix computations
  • HDF5: Handling large datasets
  • TIFF: Image format support
  • OpenMP: Parallel computing

First, clone the OMicroN repository from GitHub:

git clone https://github.com/k-traka/OMicroN.git
cd OMicroN

Install the required libraries and development tools (example commands for Ubuntu/WSL2):

sudo apt update
sudo apt install -y build-essential cmake g++ libhdf5-dev libhdf5-cpp-100 libtiff-dev libeigen3-dev libpthread-stubs0-dev libomp-dev

Once dependencies are installed, compile OMicroN:

1. Navigate to the Source Directory:

   cd OMicroN/OMicroN-master

2. Compile the Code:

   make clean
   make

This will compile all .cpp files found inside the src folder and generate the executable in the bin/ directory.

After building, execute OMicroN with an input file. For example:

cd bin
./OMicroN /path/to/input_file.txt

Ensure your input file(s) follow the structure provided in the repository.

TimeStep=1 StartTemperature=1073 EndTemperature=1073 TimeTotal=40 ...

# Column headers
x     y   z phase rho Euler_Angle_Phi1 Euler_Angle_Phi Euler_Angle_Phi2 CI RX
# phase keys: 0-FCC, 1-BCC, 2-HCP.
# rho: dislocation density.
301920 3  # number of rows
0.0 0.0 1 1 1 352.43264 117.6311 49.005653 0.971 0
0.1 0.0 1 1 1 352.43264 117.6311 49.005653 0.971 0
...

Inside the bin folder where the binary is located, run the following command:

./OMicroN ~/OMicroN/Simulations/RexAndGG/input/80CR2_Nx_510_Ny_592_hex01.txt