Experimental data and Monte Carlo simulation results associated with "Hydrogen-Mediated Control of Phase Formation and Microstructure Evolution"

Experimental data and Monte Carlo simulation results associated with "Hydrogen-Mediated Control of Phase Formation and Microstructure Evolution"

This dataset contains experimental results and Monte Carlo simulation outputs related to the study of high-pressure torsion (HPT) deformed TiVZrNbHf-Cu and TiVZrNbHf hydride-Cu composites. The data is structured into two main parts:

1. Experimental Data

Includes the following measurements and files:

SEM Area Fraction Analysis, including original SEM images (.tif) and corresponding segmented images (.h5)

EDX Analysis

Microhardness Measurements

Torque Recording during HPT

Powder and Synchrotron XRD Data

Differential Scanning Calorimetry (DSC)

All tabular data is provided in .csv format with ; as the delimiter.

2. Monte Carlo Simulation Data

This section includes data from Monte Carlo simulations modeling metal-hydrogen interactions:

Numpy Arrays (.npy files) – Contains the grid, indicating atom types and positions after the Monte Carlo simulations.

final_stats.csv – Summary statistics of the system after the simulation (e.g., degree of mixing, energy).

simulation_results.csv – System statistics at selected Monte Carlo steps to trace the evolution during simulation.

All .csv files use ; as the delimiter.

The full code used to perform the Monte Carlo simulations and generate the plots is available in the GitHub repository:https://github.com/LSchweiger-Science/Monte-Carlo-Code---HPT-of-a-Metal-hydrogen-sytem