Variational Principle for Mass Transport.

Phys Rev Lett

Department of Materials Science and Engineering, University of Illinois, Urbana-Champaign, Illinois 61801, USA.

Published: December 2018

A variation principle for mass transport in solids is derived that recasts transport coefficients as minima of local thermodynamic average quantities. The result is independent of diffusion mechanisms and applies to amorphous and crystalline systems. This unifies different computational approaches for diffusion and provides a framework for the creation of new approximation methods with error estimation. It gives a different physical interpretation of the Green function. Finally, the variational principle quantifies the accuracy of competing approaches for a nontrivial diffusion problem.

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http://dx.doi.org/10.1103/PhysRevLett.121.235901DOI Listing

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