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Efficient Reconstruction of Multi-Phase Morphologies from Correlation Functions

Published online by Cambridge University Press:  21 March 2011

Michael G. Rozman and
Marcel Utz
Michael G. Rozman
Affiliation:
Institute of Materials Science and Department of Physics, University of Connecticut
Marcel Utz
Affiliation:
Institute of Materials Science and Department of Physics, University of Connecticut
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Abstract

A highly efficient algorithm for the reconstruction of microstructures of heterogeneous media from spatial correlation functions is presented. Similar to previously proposed algorithms, the new method relies on Monte Carlo optimization, representing the microstructure on a discrete grid. An efficient way to update the correlation functions after local changes to the structure is introduced. In addition, the rate of convergence is substantially enhanced by selective Monte Carlo moves at interfaces. Speedups over prior methods of more than two orders of magnitude are thus achieved. The algorithm is ideally suited for parallel computers. The increase in efficiency brings new classes of problems within the realm of the tractable, notably those involving several different structural length scales and/or components.

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References

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