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Efficient reconstruction of multiphase morphologies from correlation functions

Efficient reconstruction of multiphase morphologies from correlation functions
Efficient reconstruction of multiphase morphologies from correlation functions
A highly efficient algorithm for the reconstruction of microstructures of heterogeneous media from spatial correlation functions is presented. Since many experimental techniques yield two-point correlation functions, the restoration of heterogeneous structures, such as composites, porous materials, microemulsions, ceramics, or polymer blends, is an inverse problem of fundamental importance. 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. Moreover, an improved minimization protocol leads to additional gains. The algorithm is ideally suited for implementation on 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.
1539-3755
6701-6708
Rozman, M.
311d4f65-61d4-4fab-baef-a1a47d0e51d7
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b
Rozman, M.
311d4f65-61d4-4fab-baef-a1a47d0e51d7
Utz, Marcel
c84ed64c-9e89-4051-af39-d401e423891b

Rozman, M. and Utz, Marcel (2001) Efficient reconstruction of multiphase morphologies from correlation functions. Physical Review E, 63 (6), 6701-6708. (doi:10.1103/PhysRevE.63.066701).

Record type: Article

Abstract

A highly efficient algorithm for the reconstruction of microstructures of heterogeneous media from spatial correlation functions is presented. Since many experimental techniques yield two-point correlation functions, the restoration of heterogeneous structures, such as composites, porous materials, microemulsions, ceramics, or polymer blends, is an inverse problem of fundamental importance. 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. Moreover, an improved minimization protocol leads to additional gains. The algorithm is ideally suited for implementation on 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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More information

Published date: 15 May 2001
Organisations: Chemistry, Faculty of Natural and Environmental Sciences, Magnetic Resonance

Identifiers

Local EPrints ID: 355583
URI: http://eprints.soton.ac.uk/id/eprint/355583
ISSN: 1539-3755
PURE UUID: 2860bde3-f66f-423e-ae49-e4120db99809
ORCID for Marcel Utz: ORCID iD orcid.org/0000-0003-2274-9672

Catalogue record

Date deposited: 21 Nov 2013 14:20
Last modified: 02 May 2020 00:33

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