Experimental data and Monte Carlo simulation results associated with "Achieving Complex Nanostructures: The Role of Hydrogen in Controlling Mechanical Alloying and Microstructure Evolution in the TiVZrNbHf‐Cu System"

Experimental data and Monte Carlo simulation results associated with "Achieving Complex Nanostructures: The Role of Hydrogen in Controlling Mechanical Alloying and Microstructure Evolution in the TiVZrNbHf‐Cu System" This is the updated Version 2 of the data associated with "Achieving Complex Nanostructures: The Role of Hydrogen in Controlling Mechanical Alloying and Microstructure Evolution in the TiVZrNbHf‐Cu System". Version 1 corresponds to the associated preprint. Version 2 includes additional TEM and TDS data, as well as the Morris sensitivity analysis of the Monte Carlo simulations. The title has been revised compared to Version 1 and the preprint. 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) TEM and associated EDX Data (.jpg, .jpeg, and .tif) Thermal desorption spectroscopy (TDS) Data 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. _PARAMS.csv – Input parameters of the respective MC simulations. 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