Dimitrios Gourzoulidis

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2papers
25citations

2 Papers

NAJun 24
A Physics-Informed Neural Network with a Modified Lorentzian Activation for Nonlocal Gradient-Flow Equations in Dynamic Density Functional Theory

Dimitrios Gourzoulidis, Soumaya Elkantassi, Serafim Kalliadasis

We develop a physics-informed neural network (PINN) framework for nonlocal partial differential equations arising in dynamic density functional theory (DDFT). Such equations are challenging for standard PINN methods because they involve nonlinearities, nonlocal interaction terms, and an underlying gradient-flow structure, often leading to slow convergence and difficult optimization. We adapt the PINN methodology to DDFT gradient-flow equations and introduce two computational components: a modified Lorentzian activation function that behaves approximately linearly for small inputs and decays toward zero as the input magnitude increases, and a precomputed discrete operator for evaluating the nonlocal convolution term efficiently during training. The method is tested on four examples in one and two space dimensions. In the first example, the exact stationary solution is known, while in the remaining cases the neural-network approximations are validated against reference solutions computed using continuous and discontinuous Galerkin finite element discretizations. Accuracy and physical consistency are assessed through $L^1$, $L^2$, and $L^\infty$ errors, together with mass conservation and free-energy dissipation. The results show that the proposed activation function accelerates convergence relative to the standard $\tanh$ function, while the overall framework maintains good agreement with the reference solutions and captures the expected gradient-flow behaviour. These findings demonstrate the potential of the proposed PINN framework for solving nonlocal gradient-flow equations arising in DDFT.

STAT-MECHJun 26
A Finite Element Method for Fluctuating Navier--Stokes Equations

Dimitrios Gourzoulidis, Mirko Gallo, Soumaya Elkantassi et al.

We introduce a finite-element framework for simulating thermal fluctuations in compressible fluids governed by the fluctuating Navier-Stokes equations. The method is designed to preserve the fundamental fluctuation-dissipation balance at the discrete level. This is achieved by defining the stochastic forcing term in the weak formulation, ensuring its covariance is proportional to the discrete viscous dissipation operator. A nodal quadrature rule is employed to eliminate unphysical mesh-scale correlations. The time integration is performed using the Crank-Nicolson scheme to maintain numerical stability and accuracy. The proposed approach is numerically validated in one, two, and three spatial dimensions, demonstrating its capability to correctly capture equilibrium fluctuation statistics across various discretisation parameters.