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A projection-based reformulation of the coincident site lattice Σ for arbitrary bicrystals at finite temperature.
Acta Crystallogr A Found Adv
March 2017
Department of Mechanical and Aerospace Engineering, University of Colorado Colorado Springs, CO, USA.
The coincident site lattice and, specifically, the `Σ value' of a grain boundary are a ubiquitous metric for experimental classification of grain boundaries. However, the mathematical nature of Σ - a pathological function taking values of either an integer or infinity - has been relatively unexplored. This work presents a framework for interpreting Σ as the inverse of a projection defined using the standard L inner product over continuous fields that represent lattices.
View Article and Find Full Text PDFAccelerated multiboson algorithm for Coulomb gases with dynamical dielectric effects.
Phys Rev E Stat Nonlin Soft Matter Phys
June 2006
Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh, Pennsylvania 15260, USA.
A recent reformulation [Phys. Rev. E 73, 016705 (2006)] of the problem of Coulomb gases in the presence of a dynamical dielectric medium showed that finite-temperature simulations of such systems can be accomplished on the basis of completely local Hamiltonians on a spatial lattice by including additional bosonic fields.
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