A Finite-Volume Scheme For Gradient-Flow Equations With Non-Homogeneous Diffusion

COMPUTERS & MATHEMATICS WITH APPLICATIONS(2021)

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摘要
We develop a first- and second-order finite-volume scheme to solve gradient flow equations with non-homogeneous properties, obtained in the framework of dynamical-density functional theory. The scheme takes advantage of an upwind approach for the space discretization to ensure positivity of the density under a CFL condition and decay of the discrete free energy. Our computational approach is used to study several one- and two-dimensional systems, with a general free-energy functional accounting for external fields and inter-particle potentials, and placed in non-homogeneous thermal baths characterized by anisotropic, space-dependent and time-dependent properties.
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关键词
Non-homogeneous baths, Finite-volume schemes, Dynamical-density functional theory
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