A general overview
Zeo++ is a open source software for performing high-throughput geometry-based analysis of porous materials and their voids. The main code provides capabilities to calculate the following:
- Pore diameters – The typical parameters describing pore sizes are the diameters describing: (1) the largest included sphere (Di), (2) the largest free sphere (Df), and (3) the largest included sphere along the free sphere path (Dif). See the illustration on the right.
- Surface area and volume – The code can calculate probe-accessible surface area and probe-accessible volume using Monte Carlo sampling approach.
- Dimensionality of the channel system – The probe-accessible part of the void space can be analyzed to identify dimensionality of the channel system.
- Hologram representations Hologram, a histogram representing the probe-accessible void space, can be calculated and then used to perform structure-(dis)similarity analysis for a large set of material structures.
The structure of the code makes it particularly well-suited to many problems in physics and materials science, where Voronoi cells can be a useful method of analyzing particle packings.
Zeo++ is written and maintained by researchers of the Computational Research Division of the Lawrence Berkeley National laboratory: Maciej Haranczyk, Chris H. Rycroft, Thomas F. Willems (now at MIT) and Richard L. Martin.