Microstructures.Net hosts the Open-source Phase-field Microstructure Database (OPMD).

A high-throughput phase-field solver is used to calculate the OPMD. The data on this website is partly available for community access and browsing. The OPMD data is presented in a user-friendly format, offering enhanced visibility and accessibility for the general public. In addition to raw data, the OPMD data is also presented in a graphical format, allowing users to visualize the data in an interactive and intuitive way.

First, we use Markov Chain Monte Carlo to estimate the parameters of the CALPHAD-based phase diagram for MgSnSi thermoelectric material. The

An illustration of UP from thermodynamic parameters to the molar Gibbs energy of mixing, to the phase diagram for Mg$_2$ Si_{x}Sn_{1−x} quasi-binary system at 700 K. left) the probability distributions for the six CALPHAD parameters, right) the calculated Gibbs energy of mixing at 700 K and uncertainty bands and the pseudo-binary phase diagram with a close-up of the peritectic reaction.

Second, we used advanced sampling schemes to propagate uncertainties across a high-dimensional simulation input space. Synthetic microstructures are generated using CALPHAD, elastic, kinetic, and alloy composition high-throughput propagation. We generated 200,000 time series of synthetic microstructures. We then developed a database of microstructural data with accompanying time series of mechanical and physical variables. This database was used to inform the development of machine learning models to predict the material properties of interest.


If you are interested in using the data in your research, please contact us. The data will be available for download in the future.

Randomized Microstructure Image Grid

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