A Novel Approach to Grain Shape Factor in 3D Hexagonal Cellular Automaton

Cellular automata (CA) modeling is a powerful and efficient tool for simulating the dynamic evolution of polycrystalline microstructures in modern materials metallurgy studies, such as solidification, plastic deformation recrystallization. We propose novel model to calculate shape factor grains three-dimensional hexagonal grid (3D-HEX) CA, which overcomes disadvantages 3D-HEX complex algorithms long computation time. The quantitative measure grain morphology based on ratio surface area its volume-equivalent-sphere volume-equivalent-chain. It indicates how or phase affects mechanical properties, stiffness, fracture. Our can easily any by counting cells volume cells. test our 1000 with different shapes (equiaxed, irregular chain-like) Monte Carlo (MC) methods. MC methods evaluate validity calculation comparing simulated outcomes observed expected outcomes. results show that accurately describe has good comparability generality.