Constructing microstructures of poly- and nanocrystalline materials for numerical modeling and simulation

Gross, Dirk; Li, Mo
February 2002
Applied Physics Letters;2/4/2002, Vol. 80 Issue 5, p746
Academic Journal
A systematic method is developed for construction of microstructures of poly- and nanocrystalline materials for various numerical modeling and simulations. The automatic method uses as input the distribution functions of microstructure quantities such as the grain size or texture and, through a sequence of minimization procedures, obtains the desired microstructures. The digital samples generated using this method agree well with experimental samples in their topological, structural, and statistical properties. The application and impact of this method on atomistic and continuum simulation and modeling are discussed. © 2002 American Institute of Physics.


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