arXiv subjects

Clarissa Astuto

Publications and source records attributed to Clarissa Astuto.

17 recordsLinked to original sources

arXiv2026

Second order unfitted ghost-FEM for elliptic interface problems with applications to low-dimensional semiconductor devices

We develop an unfitted ghost finite element method for elliptic interface problems with discontinuous diffusion coefficients and apply it to the electrostatic simulation of low-dimensional semiconductor devices. The proposed approach is based on a fixed Cartesian grid and represents the geometry by level-set functions, avoiding mesh generation and remeshing even in the presence of interfaces. A snapping-back-to-grid strategy is used to control the small-cut-cell issue, while interface conditions are weakly enforced by a symmetric Nitsche formulation. The method is first validated on benchmark elliptic interface problems with different geometries and coefficient jumps, showing second-order accuracy for the solution and first-order accuracy for its gradient. As an application, we consider a graphene field-effect transistor described by a self-consistent drift-diffusion-Poisson model. The electrostatic potential is computed in a two-dimensional oxide/graphene/oxide structure, while charge transport in the graphene layer is modeled by one-dimensional bipolar drift-diffusion equations in the degenerate case and by including a field-dependent mobility model. The coupled nonlinear system is solved by a damped fixed-point iteration combined with a domain-decomposition treatment of the three-layer geometry. Numerical simulations reproduce transfer characteristics with a clear transition from an OFF state to an ON state and show the influence of the gate voltage on the two-dimensional electrostatic potential. The results also indicate that the effective thickness and discretization of the graphene layer affect the transverse potential profile, supporting the use of a full two-dimensional electrostatic description with explicit oxide/graphene interface conditions.

math.NA↗

arXiv2026

Asymptotic Preserving and Accurate scheme for Multiscale Poisson-Nernst-Planck (MPNP) system

In this paper, we propose and validate a two-species Multiscale model for a Poisson-Nernst-Planck (PNP) system, focusing on the correlated motion of positive and negative ions under the influence of a trap. Specifically, we aim to model surface traps whose attraction range, of length $δ$, is much smaller then the scale of the problem. The physical setup we refer to is an anchored gas drop (bubble) surrounded by a flow of charged surfactants {(composed by positive and negative ions) that diffuses in water. When the diffusing surfactants reach the surface of the trap, the negative ions are adsorbed because of their hydrophobic tail that is attracted by the air bubble}. As in our previous works, the effect of the attractive potential is replaced by a suitable boundary condition derived by mass conservation and asymptotic analysis. The novelty of this work is the extension of the model proposed in \cite{astuto2023multiscale}, now incorporating the influence of both carriers -- positive and negative ions -- simultaneously, which is often neglected in traditional approaches that treat ion species independently. The two carriers interact through the Coulomb potential, that is computed by a Poisson equation. [...]

math.NA↗

arXiv2026

Standard versus Asymptotic Preserving Time Discretizations for the Poisson-Nernst-Planck System in the Quasi-Neutral Limit

In this paper, we investigate the correlated diffusion of two ion species governed by a Poisson-Nernst-Planck (PNP) system. Here we further validate the numerical scheme recently proposed in \cite{astuto2025asymptotic}, where a time discretization method was shown to be Asymptotic-Preserving (AP) with respect to the Debye length. For vanishingly Debye lengths, the so called Quasi-Neutral limit can be adopted, reducing the system to a single diffusion equation with an effective diffusion coefficient \cite{CiCP-31-707}. Choosing small, but not negligible, Debye lengths, standard numerical methods suffer from severe stability restrictions and difficulties in handling initial conditions. IMEX schemes, on the other hand, are proved to be asymptotically stable for all Debye lengths, and do not require any assumption on the initial conditions. In this work, we compare different time discretizations to show their asymptotic behaviors.

math.NA↗

arXiv2026

High order ghost-FEM for incompressible Navier-Stokes equations on moving domains

We develop a new numerical technique for approximating solutions of the Navier-Stokes equations on moving domains. The method aims at simulating an incompressible fluid past an object whose motion is assigned a priori using a level-set function. The proposed approach relies on a space discretization based on the ghost finite element method (ghost-FEM), which allows computations on unfitted meshes and avoids costly remeshing as the domain evolves in time. Time integration is performed using an IMplicit-EXplicit (IMEX) scheme to address the nonlinearity of the convective term, ensuring high-order accuracy for incompressible flows. The error introduced by the geometrical approximation is handled using the Shifted Boundary Method, which allows higher order approximations of boundary conditions on unfitted meshes. Dirichlet boundary conditions are imposed weakly by means of Nitsche's method. The associated stabilization parameter is chosen by solving a generalized eigenvalue problem, ensuring stability and accuracy of the numerical scheme. We present a series of numerical experiments designed to validate the accuracy of the proposed method, as well as comparisons with established benchmark problems involving moving boundaries.

math.NA↗

arXiv2024

High order multiscale methods for advection-diffusion equation in highly oscillatory regimes: application to surfactant diffusion and generalization to arbitrary domains

In this paper, we propose high order numerical methods to solve a 2D advection diffusion equation, in the highly oscillatory regime. We use an integrator strategy that allows the construction of arbitrary high-order schemes {leading} to an accurate approximation of the solution without any time step-size restriction. This paper focuses on the multiscale challenges {in time} of the problem, that come from the velocity, an $\varepsilon-$periodic function, whose expression is explicitly known. $\varepsilon$-uniform third order in time numerical approximations are obtained. For the space discretization, this strategy is combined with high order finite difference schemes. Numerical experiments show that the proposed methods {achieve} the expected order of accuracy, and it is validated by several tests across diverse domains and boundary conditions. The novelty of the paper consists of introducing a numerical scheme that is high order accurate in space and time, with a particular attention to the dependency on a small parameter in the time scale. The high order in space is obtained enlarging the interpolation stencil already established in [44], and further refined in [46], with a special emphasis on the squared boundary, especially when a Dirichlet condition is assigned. In such case, we compute an \textit{ad hoc} Taylor expansion of the solution to ensure that there is no degradation of the accuracy order at the boundary. On the other hand, the high accuracy in time is obtained extending the work proposed in [19]. The combination of high-order accuracy in both space and time is particularly significant due to the presence of two small parameters-$δ$ and $\varepsilon$-in space and time, respectively.

math.NA↗

arXiv2024

A nodal ghost method based on variational formulation and regular square grid for elliptic problems on arbitrary domains in two space dimensions

This paper focuses on the numerical solution of elliptic partial differential equations (PDEs) with Dirichlet and mixed boundary conditions, specifically addressing the challenges arising from irregular domains. Both finite element method (FEM) and finite difference method (FDM), face difficulties in dealing with arbitrary domains. The paper introduces a novel nodal symmetric ghost {method based on a variational formulation}, which combines the advantages of FEM and FDM. The method employs bilinear finite elements on a structured mesh and provides a detailed implementation description. A rigorous a priori convergence rate analysis is also presented. The convergence rates are validated with many numerical experiments, in both one and two space dimensions.

math.NA↗

arXiv2024

Self-regulated biological transportation structures with general entropy dissipation: 2D case and leaf-shaped domain

In recent years, the study of biological transportation networks has attracted significant interest, focusing on their self-regulating, demand-driven nature. This paper examines a mathematical model for these networks, featuring nonlinear elliptic equations for pressure and an auxiliary variable, and a reaction-diffusion parabolic equation for the conductivity tensor, introduced in \cite{portaro2022emergence}. The model, based on an energy functional with diffusive and metabolic terms, allows for various entropy generating functions, facilitating its application to different biological scenarios. We proved a local well-posedness result for the problem in Hölder spaces employing Schauder and semigroup theory. Then, after a suitable parameter reduction through scaling, we computed the numerical solution for the proposed system using a recently developed ghost nodal finite element method \cite{astuto2024nodal}. An interesting aspect emerges when the solution is very articulated and the branches occupy a wide region of the domain.

math.AP↗

arXiv2024

A comparison of the Coco-Russo scheme and $\protect\mathghost$-FEM for elliptic equations in arbitrary domains

In this paper, a comparative study between the Coco-Russo scheme (based on finite-difference scheme) and the $\mathghost$-FEM (based on finite-element method) is presented when solving the Poisson equation in arbitrary domains. The comparison between the two numerical methods is carried out by presenting analytical results from the literature \cite{cocoStissi,astuto2024nodal}, together with numerical tests in various geometries and boundary conditions.

math.NA↗

arXiv2023

Multiscale Modeling with Differential Equations

Many physical systems are governed by ordinary or partial differential equations (see, for example, Chapter ''Differential equations'', ''System of Differential Equations''). Typically the solution of such systems are functions of time or of a single space variable (in the case of ODE's), or they depend on multidimensional space coordinates or on space and time (in the case of PDE's). In some cases, the solutions may depend on several time or space scales. An example governed by ODE's is the damped harmonic oscillator, in the two extreme cases of very small or very large damping, the cardiovascular system, where the thickness of the arteries and veins varies from centimeters to microns, shallow water equations, which are valid when water depth is small compared to typical wavelength of surface waves, and sorption kinetics, in which the range of interaction of a surfactant with an air bubble is much smaller than the size of the bubble itself. In all such cases a detailed simulation of the models which resolves all space or time scales is often inefficient or intractable, and usually even unnecessary to provide a reasonable description of the behavior of the system. In the Chapter ''Multiscale modeling with differential equations'' we present examples of systems described by ODE's and PDE's which are intrinsically multiscale, and illustrate how suitable modeling provide an effective way to capture the essential behavior of the solutions of such systems without resolving the small scales.

math.NA↗

arXiv2023

Self-regulated biological transportation structures with general entropy dissipations, part I: the 1D case

We study self-regulating processes modeling biological transportation networks as presented in \cite{portaro2023}. In particular, we focus on the 1D setting for Dirichlet and Neumann boundary conditions. We prove an existence and uniqueness result under the assumption of positivity of the diffusivity $D$. We explore systematically various scenarios and gain insights into the behavior of $D$ and its impact on the studied system. This involves analyzing the system with a signed measure distribution of sources and sinks. Finally, we perform several numerical tests in which the solution $D$ touches zero, confirming the previous hints of local existence in particular cases.

math.AP↗

arXiv2023

Finite element discretization of a biological network formation system: a preliminary study

A finite element discretization is developed for the Cai-Hu model, describing the formation of biological networks. The model consists of a non linear elliptic equation for the pressure $p$ and a non linear reaction-diffusion equation for the conductivity tensor $\mathbb{C}$. The problem requires high resolution due to the presence of multiple scales, the stiffness in all its components and the non linearities. We propose a low order finite element discretization in space coupled with a semi-implicit time advancing scheme. The code is {verified} with several numerical tests performed with various choices for the parameters involved in the system. In absence of the exact solution, we apply Richardson extrapolation technique to estimate the order of the method.

math.NA↗

arXiv2023

Time multiscale modeling of sorption kinetics I: uniformly accurate schemes for highly oscillatory advection-diffusion equation

In this paper we propose a numerical method to solve a 2D advection-diffusion equation, in the highly oscillatory regime. We use an efficient and robust integrator which leads to an accurate approximation of the solution without any time step-size restriction. Uniform first and second order numerical approximations in time are obtained with errors, and at a cost, that are independent of the oscillation frequency. {This work is part of a long time project, and the final goal is the resolution of a Stokes-advection-diffusion system, in which the expression for the velocity in the advection term, is the solution of the Stokes equations.} This paper focuses on the time multiscale challenge, coming from the velocity that is an $\varepsilon-$periodic function, whose expression is explicitly known. We also introduce a two--scale formulation, as a first step to the numerical resolution of the complete oscillatory Stokes-advection-diffusion system, that is currently under investigation. This two--scale formulation is also useful to understand the asymptotic behaviour of the solution.

math.NA↗

arXiv2023

Multiscale Modeling of Sorption Kinetics

In this paper we propose and validate a multiscale model for the description of particle diffusion in presence of trapping boundaries. We start from a drift-diffusion equation in which the drift term describes the effect of bubble traps, and is modeled by a short range potential with an attractive term and a repulsive core. The interaction of the particles attracted by the bubble surface is simulated by the Lennard-Jones potential that simplifies the capture due to the hydrophobic properties of the ions. In our model the effect of the potential is replaced by a suitable boundary condition derived by mass conservation and asymptotic analysis. The potential is assumed to have a range of small size $\varepsilon$. An asymptotic expansion in the $\varepsilon$ is considered, and the boundary conditions are obtained by retaining the lowest order terms in the expansion. Another aspect we investigate is saturation effect coming from high concentrations in the proximity of the bubble surface. The validity of the model is carefully checked with several tests in 1D, 2D and different geometries.

math.NA↗

arXiv2023

Asymmetry and condition number of an elliptic-parabolic system for biological network formation

We present results of numerical simulations of the tensor-valued elliptic-parabolic PDE model for biological network formation. The numerical method is based on a non-linear finite difference scheme on a uniform Cartesian grid in a 2D domain. The focus is on the impact of different discretization methods and choices of regularization parameters on the symmetry of the numerical solution. In particular, we show that using the symmetric alternating-direction implicit (ADI) method for time discretization helps preserve the symmetry of the solution, compared to the (non symmetric) ADI method. Moreover, we study the effect of regularization by isotropic background permeability $r>0$, showing that increased condition number of the elliptic problem due to decreasing value of $r$ leads to loss of symmetry. We show that in this case, neither the use of the symmetric ADI method preserves the symmetry of the solution. Finally, we perform numerical error analysis of our method making use of Wasserstein distance.

math.NA↗

arXiv2022

Comparison of two aspects of a PDE model for biological network formation

We compare the solutions of two systems of partial differential equations (PDE), seen as two different interpretations of the same model that describes formation of complex biological networks. Both approaches take into account the time evolution of the medium flowing through the network, and we compute the solution of an elliptic-parabolic PDE system for the conductivity vector $m$, the conductivity tensor $\mathbb{C}$ and the pressure $p$. We use finite differences schemes in a uniform Cartesian grid in the spatially two-dimensional setting to solve the two systems, where the parabolic equation is solved by a semi-implicit scheme in time. Since the conductivity vector and tensor appear also in the Poisson equation for the pressure $p$, the elliptic equation depends implicitly on time. For this reason we compute the solution of three linear systems in the case of the conductivity vector $m\in\mathbb{R}^2$, and four linear systems in the case of the symmetric conductivity tensor $\mathbb{C}\in\mathbb{R}^{2\times 2}$, at each time step. To accelerate the simulations, we make use of the Alternating Direction Implicit (ADI) method. The role of the parameters is important for obtaining detailed solutions. We provide numerous tests with various values of the parameters involved, to see the differences in the solutions of the two systems.

math.NA↗

arXiv2022

A finite-difference ghost-point multigrid method for multi-scale modelling of sorption kinetics of a surfactant past an oscillating bubble

We propose a method for the numerical solution of a multiscale model describing sorption kinetics of a surfactant around an oscillating bubble. The evolution of the particles is governed by a convection-diffusion equation for the surfactant concentration $c$, with suitable boundary condition on the bubble surface, which models the action of the short range attractive-repulsive potential acting on them when they get sufficiently close to the surface \cite{multiscale_mod}. In the domain occupied by the fluid, the particles are transported by the fluid motion generated by the bubble oscillations. The method adopted to solve the equation for $c$ is based on a finite-difference scheme on a uniform Cartesian grid and implemented in 2D and 3D axisymmetric domains. We use a level-set function to define the region occupied by the bubble, while the boundary conditions are discretized by a ghost-point technique to guarantee second order accuracy at the curved boundary. The sparse linear system is finally solved with a geometric multigrid technique designed \textit{ad-hoc\/} for this specific problem. Several accuracy tests are provided to prove second order accuracy in space and time. The fluid dynamics generated by the oscillating bubble is governed by the Stokes equation solved with a second order accurate method based on a monolithic approach, where the momentum and continuity equations are solved simultaneously. Since the amplitude of the bubble oscillations are very small, a simplified model is presented where the computational bubble is actually steady and its oscillations are represented purely with time-dependent boundary conditions. A numerical comparison with the moving domain model confirms that this simplification is perfectly reasonable for the class of problems investigated in this paper.

math.NA↗

arXiv2022

Anomalous sorption kinetics of self-interacting particles by a spherical trap

In this paper we propose a computational framework for the investigation of the correlated motion between positive and negative ions exposed to the attraction of a bubble surface that mimics the (oscillating) cell membrane. The correlated diffusion of surfactants is described by a Poisson-Nernst-Planck (PNP) system, in which the drift term is given by the gradient of a potential which includes both the effect of the bubble and the Coulomb interaction between the carriers. The latter term is obtained from the solution of a self-consistent Poisson equation. For very short Debye lengths one can adopt the so called Quasi-Neutral limit which drastically simplifies the system, thus allowing for much faster numerical simulations. The paper has four main objectives. The first one is to present a PNP model that describes ion charges in presence of a trap. The second one is to provide benchmark tests for the validation of simplified multiscale models under current development [1]. The third one is to explore the relevance of the term describing the interaction among the apolar tails of the anions. The last one is to quantitatively explore the validity of the Quasi-Neutral limit by comparison with detailed numerical simulation for smaller and smaller Debye lengths. In order to reach these goals, we propose a simple and efficient Alternate Direction Implicit method for the numerical solution of the non-linear PNP system, which guarantees second order accuracy both in space and time, without requiring solution of nonlinear equation at each time step. New semi-implicit scheme for a simplified PNP system near quasi neutrality is also proposed.

physics.comp-ph↗