arXiv subjects

Alessandro Reali

Publications and source records attributed to Alessandro Reali.

At least 19 recordsLinked to original sources

arXiv2026

Cahn-Hilliard phase-field modeling of tumor growth via locally adaptive isogeometric analysis with THB-splines

Predicting tumor dynamics in biological systems under physiologically relevant conditions using mathematical and computational models remains a challenging problem. Continuum models based on phase-field (diffuse-interface) formulations have proven to be an effective modeling strategy to govern tumor dynamics and interactions of multiple species. Within this framework, the present work investigates a tumor growth model based on the Cahn-Hilliard (CH) equation. The formulation involves a fourth-order differential operator that imposes higher continuity requirement on approximation spaces for a well-defined primal variational formulation. To address this challenge, we use isogeometric analysis (IGA), which inherently satisfies this requirement through spline-based basis functions and eliminates the need for mixed or auxiliary-variable approaches commonly used in standard finite element discretizations. Additionally, a locally adaptive IGA scheme with truncated hierarchical B-splines (THB-splines) is used to reduce computational cost while maintaining accuracy. The model is first evaluated on standard benchmark cases and then applied to an organ-scale, patient-specific geometric model of the breast reconstructed from magnetic resonance imaging (MRI) data. Our results show that the model reproduces known tumor morphologies, ranging from a spheroidal pattern to fingered growth. A series of numerical experiments further shows the diversity of tumor dynamics produced by different model parameter choices. Our findings demonstrate the predictive potential of the CH-based phase-field tumor growth model integrated with a locally adaptive IGA framework.

math.NA↗

arXiv2025

AT1 fourth-order isogeometric phase-field modeling of brittle fracture

A crucial aspect in phase-field modeling, based on the variational formulation of brittle fracture, is the accurate representation of how the fracture surface energy is dissipated during the fracture process in the energy competition within a minimization problem. In general, the family of AT1 functionals showcases a well-defined elastic limit and narrow transition regions before crack onset, as opposed to AT2 models. On the other hand, high-order functionals provide similar accuracy as low-order ones but allow for larger mesh sizes in their discretization, remarkably reducing the computational cost. In this work, we aim to combine both these advantages and propose a novel AT1 fourth-order phase-field model for brittle fracture within an isogeometric framework, which provides a straightforward discretization of the high-order term in the crack surface density functional. For the introduced AT1 functional, we first prove a {\Gamma}-convergence result (in both the continuum and discretized isogeometric setting) based on a careful study of the optimal transition profile, which ultimately provides the explicit correction factor for the toughness and the exact size of the transition region. Fracture irreversibility is modeled by monotonicity of the damage variable and is conveniently enforced using the Projected Successive Over-Relaxation algorithm. Our numerical results indicate that the proposed fourth-order AT1 model is more accurate than the considered lower-order AT1 and AT2 models; this allows to employ larger mesh sizes, entailing a lower computational cost.

math.NA↗

arXiv2024

A fully explicit isogeometric collocation formulation for the dynamics of geometrically exact beams

We present a fully explicit dynamic formulation for geometrically exact shear-deformable beams. The starting point of this work is an existing isogeometric collocation (IGA-C) formulation which is explicit in the strict sense of the time integration algorithm, but still requires a system matrix inversion due to the use of a consistent mass matrix. Moreover, in that work, the efficiency was also limited by an iterative solution scheme needed due to the presence of a nonlinear term in the time-discretized rotational balance equation. In the present paper, we address these limitations and propose a novel fully explicit formulation able to preserve high-order accuracy in space. This is done by extending a predictor--multicorrector approach, originally proposed for standard elastodynamics, to the case of the rotational dynamics of geometrically exact beams. The procedure relies on decoupling the Neumann boundary conditions and on a rearrangement and rescaling of the mass matrix. We demonstrate that an additional gain in terms of computational cost is obtained by properly removing the angular velocity-dependent nonlinear term in the rotational balance equation without any significant loss in terms of accuracy. The high-order spatial accuracy and the improved efficiency of the proposed formulation compared to the existing one are demonstrated through some numerical experiments covering different combinations of boundary conditions.

cs.CE↗

arXiv2024

An efficient active-stress electromechanical isogeometric shell model for muscular thin film simulations

We propose an isogeometric approach to model the deformation of active thin films using layered, nonlinear, Kirchhoff Love shells. Isogeometric Collocation and Galerkin formulations are employed to discretize the electrophysiological and mechanical sub-problems, respectively, with the possibility to adopt different element and time-step sizes. Numerical tests illustrate the capabilities of the active stress based approach to effectively simulate the contraction of thin films in both quasi-static and dynamic conditions.

math.NA↗

arXiv2023

Data-informed uncertainty quantification for laser-based powder bed fusion additive manufacturing

We present an efficient approach to quantify the uncertainties associated with the numerical simulations of the laser-based powder bed fusion of metals processes. Our study focuses on a thermomechanical model of an Inconel 625 cantilever beam, based on the AMBench2018-01 benchmark proposed by the National Institute of Standards and Technology (NIST). The proposed approach consists of a forward uncertainty quantification analysis of the residual strains of the cantilever beam given the uncertainty in some of the parameters of the numerical simulation, namely the powder convection coefficient and the activation temperature. The uncertainty on such parameters is modelled by a data-informed probability density function obtained by a Bayesian inversion procedure, based on the displacement experimental data provided by NIST. To overcome the computational challenges of both the Bayesian inversion and the forward uncertainty quantification analysis we employ a multi-fidelity surrogate modelling technique, specifically the multi-index stochastic collocation method. The proposed approach allows us to achieve a 33\% reduction in the uncertainties on the prediction of residual strains compared with what we would get basing the forward UQ analysis on a-priori ranges for the uncertain parameters, and in particular the mode of the probability density function of such quantities (i.e., its ``most likely value'', roughly speaking) results to be in good agreement with the experimental data provided by NIST, even though only displacement data were used for the Bayesian inversion procedure.

cs.CE↗

arXiv2023

Patient-specific computational forecasting of prostate cancer growth during active surveillance using an imaging-informed biomechanistic model

Active surveillance (AS) is a suitable management option for newly-diagnosed prostate cancer (PCa), which usually presents low to intermediate clinical risk. Patients enrolled in AS have their tumor closely monitored via longitudinal multiparametric magnetic resonance imaging (mpMRI), serum prostate-specific antigen tests, and biopsies. Hence, the patient is prescribed treatment when these tests identify progression to higher-risk PCa. However, current AS protocols rely on detecting tumor progression through direct observation according to standardized monitoring strategies. This approach limits the design of patient-specific AS plans and may lead to the late detection and treatment of tumor progression. Here, we propose to address these issues by leveraging personalized computational predictions of PCa growth. Our forecasts are obtained with a spatiotemporal biomechanistic model informed by patient-specific longitudinal mpMRI data. Our results show that our predictive technology can represent and forecast the global tumor burden for individual patients, achieving concordance correlation coefficients ranging from 0.93 to 0.99 across our cohort (n=7). Additionally, we identify a model-based biomarker of higher-risk PCa: the mean proliferation activity of the tumor (p=0.041). Using logistic regression, we construct a PCa risk classifier based on this biomarker that achieves an area under the receiver operating characteristic curve of 0.83. We further show that coupling our tumor forecasts with this PCa risk classifier enables the early identification of PCa progression to higher-risk disease by more than one year. Thus, we posit that our predictive technology constitutes a promising clinical decision-making tool to design personalized AS plans for PCa patients.

q-bio.TO↗

arXiv2023

Patch-wise Quadrature of Trimmed Surfaces in Isogeometric Analysis

This work presents an efficient quadrature rule for shell analysis fully integrated in CAD by means of Isogeometric Analysis (IGA). General CAD-models may consist of trimmed parts such as holes, intersections, cut-offs etc. Therefore, IGA should be able to deal with these models in order to fulfil its promise of closing the gap between design and analysis. Trimming operations violate the tensor-product structure of the used Non-Uniform Rational B-spline (NURBS) basis functions and of typical quadrature rules. Existing efficient patch-wise quadrature rules consider actual knot vectors and are determined in 1D. They are extended to further dimensions by means of a tensor-product. Therefore, they are not directly applicable to trimmed structures. The herein proposed method extends patch-wise quadrature rules to trimmed surfaces. Thereby, the number of quadrature points can be signifficantly reduced. Geometrically linear and non-linear benchmarks of plane, plate and shell structures are investigated. The results are compared to a standard trimming procedure and a good performance is observed.

cs.CE↗

arXiv2023

Adaptive isogeometric phase-field modeling of the Cahn-Hilliard equation: Suitably graded hierarchical refinement and coarsening on multi-patch geometries

We present an adaptive scheme for isogeometric phase-field modeling, to perform suitably graded hierarchical refinement and coarsening on both single- and multi-patch geometries by considering truncated hierarchical spline constructions which ensures $C^1$ continuity between patches. We apply the proposed algorithms to the Cahn-Hilliard equation, describing the time-evolving phase separation processes of immiscible fluids. We first verify the accuracy of the hierarchical spline scheme by comparing two classical indicators usually considered in phase-field modeling, for then demonstrating the effectiveness of the grading strategy in terms of accuracy per degree of freedom. A selection of numerical examples confirms the performance of the proposed scheme to simulate standard modes of phase separation using adaptive isogeometric analysis with smooth THB-spline constructions.

math.NA↗

arXiv2022

Combining noisy well data and expert knowledge in a Bayesian calibration of a flow model under uncertainties: an application to solute transport in the Ticino basin

Groundwater flow modeling is commonly used to calculate groundwater heads, estimate groundwater flow paths and travel times, and provide insights into solute transport processes within an aquifer. However, the values of input parameters that drive groundwater flow models are often highly uncertain due to subsurface heterogeneity and geologic complexity in combination with lack of measurements/unreliable measurements. This uncertainty affects the accuracy and reliability of model outputs. Therefore, parameters' uncertainty must be quantified before adopting the model as an engineering tool. In this study, we model the uncertain parameters as random variables and use a Bayesian inversion approach to obtain a posterior,data-informed, probability density function (pdf) for them: in particular, the likelihood function we consider takes into account both well measurements and our prior knowledge about the extent of the springs in the domain under study. To keep the modelistic and computational complexities under control, we assume Gaussianity of the posterior pdf of the parameters. To corroborate this assumption, we run an identifiability analysis of the model: we apply the inversion procedure to several sets of synthetic data polluted by increasing levels of noise, and we determine at which levels of noise we can effectively recover the "true value" of the parameters. We then move to real well data (coming from the Ticino River basin, in northern Italy, and spanning a month in summer 2014), and use the posterior pdf of the parameters as a starting point to perform an Uncertainty Quantification analysis on groundwater travel-time distributions.

cs.CE↗

arXiv2022

Sparse-grids uncertainty quantification of part-scale additive manufacturing processes

The present paper aims at applying uncertainty quantification methodologies to process simulations of powder bed fusion of metal. In particular, for a part-scale thermomechanical model of an Inconel 625 super-alloy beam, we study the uncertainties of three process parameters, namely the activation temperature, the powder convection coefficient and the gas convection coefficient. First, we perform a variance-based global sensitivity analysis to study how each uncertain parameter contributes to the variability of the beam displacements. The results allow us to conclude that the gas convection coefficient has little impact and can therefore be fixed to a constant value for subsequent studies. Then, we conduct an inverse uncertainty quantification analysis, based on a Bayesian approach on synthetic displacements data, to quantify the uncertainties of the two remaining parameters, namely the activation temperature and the powder convection coefficient. Finally, we use the results of the inverse uncertainty quantification analysis to perform a data-informed forward uncertainty quantification analysis of the residual strains. Crucially, we make use of surrogate models based on sparse grids to keep to a minimum the computational burden of every step of the uncertainty quantification analysis. The proposed uncertainty quantification workflow allows us to substantially ease the typical trial-and-error approach used to calibrate power bed fusion part-scale models, and to greatly reduce uncertainties on the numerical prediction of the residual strains. In particular, we demonstrate the possibility of using displacement measurements to obtain a data-informed probability density function of the residual strains, a quantity much more complex to measure than displacements.

cs.CE↗

arXiv2022

Combining the Morris Method and Multiple Error Metrics to Assess Aquifer Characteristics and Recharge in the Lower Ticino Basin, in Italy

Groundwater flow model accuracy is often limited by the uncertainty in model parameters that characterize aquifer properties and aquifer recharge. Aquifer properties such as hydraulic conductivity can have an uncertainty spanning orders of magnitude. Meanwhile, parameters used to configure model boundary conditions can introduce additional uncertainty. In this study, the Morris Method sensitivity analysis is performed on multiple quantities of interest to assess the sensitivity of a steady-state groundwater flow model to uncertain input parameters. The Morris Method determines which of these parameters are less influential on model outputs. Uninfluential parameters can be set constant during subsequent parameter optimization to reduce computational expense. Combining multiple quantities of interest (e.g., RMSE, groundwater fluxes) when performing both the Morris Method and parameter optimization offers a more complete assessment of groundwater models, providing a more reliable and physically consistent estimate of uncertain parameters. The parameter optimization procedure also provides us an estimate of the residual uncertainty in the parameter values, resulting in a more complete estimate of the remaining uncertainty. By employing such techniques, the current study was able to estimate the aquifer hydraulic conductivity and recharge rate due to rice field irrigation in a groundwater basin in Northern Italy, revealing that a significant proportion of surficial aquifer recharge (approximately 81-94%) during the later summer is due to the flood irrigation practices applied to these fields.

cs.CE↗

arXiv2022

Modeling nonlocal behavior in epidemics via a reaction-diffusion system incorporating population movement along a network

The outbreak of COVID-19, beginning in 2019 and continuing through the time of writing, has led to renewed interest in the mathematical modeling of infectious disease. Recent works have focused on partial differential equation (PDE) models, particularly reaction-diffusion models, able to describe the progression of an epidemic in both space and time. These studies have shown generally promising results in describing and predicting COVID-19 progression. However, people often travel long distances in short periods of time, leading to nonlocal transmission of the disease. Such contagion dynamics are not well-represented by diffusion alone. In contrast, ordinary differential equation (ODE) models may easily account for this behavior by considering disparate regions as nodes in a network, with the edges defining nonlocal transmission. In this work, we attempt to combine these modeling paradigms via the introduction of a network structure within a reaction-diffusion PDE system. This is achieved through the definition of a population-transfer operator, which couples disjoint and potentially distant geographic regions, facilitating nonlocal population movement between them. We provide analytical results demonstrating that this operator does not disrupt the physical consistency or mathematical well-posedness of the system, and verify these results through numerical experiments. We then use this technique to simulate the COVID-19 epidemic in the Brazilian region of Rio de Janeiro, showcasing its ability to capture important nonlocal behaviors, while maintaining the advantages of a reaction-diffusion model for describing local dynamics.

q-bio.PE↗

arXiv2022

Well-posedness for a diffusion-reaction compartmental model simulating the spread of COVID-19

This paper is concerned with the well-posedness of a diffusion-reaction system for a Susceptible-Exposed-Infected-Recovered (SEIR) mathematical model. This model is written in terms of four nonlinear partial differential equations with nonlinear diffusions, depending on the total amount of the SEIR populations. The model aims at describing the spatio-temporal spread of the COVID-19 pandemic and is a variation of the one recently introduced, discussed and tested in [A. Viguerie et al, Diffusion-reaction compartmental models formulated in a continuum mechanics framework: application to COVID-19, mathematical analysis, and numerical study, Comput. Mech. 66 (2020) 1131-1152]. Here, we deal with the mathematical analysis of the resulting Cauchy-Neumann problem: the existence of solutions is proved in a rather general setting and a suitable time discretization procedure is employed. It is worth mentioning that the uniform boundedness of the discrete solution is shown by carefully exploiting the structure of the system. Uniform estimates and passage to the limit with respect to the time step allow to complete the existence proof. Then, two uniqueness theorems are offered, one in the case of a constant diffusion coefficient and the other for more regular data, in combination with a regularity result for the solutions.

math.AP↗

arXiv2022

Data-driven simulation of Fisher-Kolmogorov tumor growth models using Dynamic Mode Decomposition

The computer simulation of organ-scale biomechanistic models of cancer personalized via routinely collected clinical and imaging data enables to obtain patient-specific predictions of tumor growth and treatment response over the anatomy of the patient's affected organ. These patient-specific computational forecasts have been regarded as a promising approach to personalize the clinical management of cancer and derive optimal treatment plans for individual patients, which constitute timely and critical needs in clinical oncology. However, the computer simulation of the underlying spatiotemporal models can entail a prohibitive computational cost, which constitutes a barrier to the successful development of clinically-actionable computational technologies for personalized tumor forecasting. To address this issue, here we propose to utilize Dynamic-Mode Decomposition (DMD) to construct a low-dimensional representation of cancer models and accelerate their simulation. DMD is an unsupervised machine learning method based on the singular value decomposition that has proven useful in many applications as both a predictive and a diagnostic tool. We show that DMD may be applied to Fisher-Kolmogorov models, which constitute an established formulation to represent untreated solid tumor growth that can further accommodate other relevant cancer phenomena. Our results show that a DMD implementation of this model over a clinically-relevant parameter space can yield impressive predictions, with short to medium-term errors remaining under 1% and long-term errors remaining under 20%, despite very short training periods. We posit that this data-driven approach has the potential to greatly reduce the computational overhead of personalized simulations of cancer models, thereby facilitating tumor forecasting, parameter identification, uncertainty quantification, and treatment optimization.

physics.bio-ph↗

arXiv2022

Thermodynamically-consistent derivation and computation of twinning and fracture in brittle materials by means of phase-field approaches in the finite element method

A theoretical-computational framework is proposed for predicting the failure behavior of two anisotropic brittle materials, namely, single crystal magnesium and boron carbide. Constitutive equations are derived, in both small and large deformations, by using thermodynamics in order to establish a fully coupled and transient twin and crack system. To study the common deformation mechanisms (e.g., twinning and fracture), which can be caused by extreme mechanical loading, a monolithically-solved Ginzburg--Landau-based phase-field theory coupled with the mechanical equilibrium equation is implemented in a finite element simulation framework for the following problems: (i) twin evolution in two-dimensional single crystal magnesium and boron carbide under simple shear deformation; (ii) crack-induced twinning for magnesium under pure mode I and mode II loading; and (iii) study of fracture in homogeneous single crystal boron carbide under biaxial compressive loading. The results are verified by a steady-state phase-field approach and validated by available experimental data in the literature. The success of this computational method relies on using two distinct phase-field (order) parameters related to fracture and twinning. A finite element method-based code is developed within the Python-based open-source platform FEniCS. We make the code publicly available and the developed algorithm may be extended for the study of phase transformations under dynamic loading or thermally-activated mechanisms, where the competition between various deformation mechanisms is accounted for within the current comprehensive model approach.

cond-mat.mtrl-sci↗

arXiv2022

Residual-based error estimation and adaptivity for stabilized immersed isogeometric analysis using truncated hierarchical B-splines

We propose an adaptive mesh refinement strategy for immersed isogeometric analysis, with application to steady heat conduction and viscous flow problems. The proposed strategy is based on residual-based error estimation, which has been tailored to the immersed setting by the incorporation of appropriately scaled stabilization and boundary terms. Element-wise error indicators are elaborated for the Laplace and Stokes problems, and a THB-spline-based local mesh refinement strategy is proposed. The error estimation .and adaptivity procedure is applied to a series of benchmark problems, demonstrating the suitability of the technique for a range of smooth and non-smooth problems. The adaptivity strategy is also integrated in a scan-based analysis workflow, capable of generating reliable, error-controlled, results from scan data, without the need for extensive user interactions or interventions.

math.NA↗

arXiv2021

Two-level Method Part-scale Thermal Analysis of Laser Powder Bed Fusion Additive Manufacturing

Numerical simulations of a complete laser powder bed fusion (LPBF) additive manufacturing (AM) process are extremely challenging or even impossible to achieve without a radical model reduction of the complex physical phenomena occurring during the process. However, even when we adopt reduced model with simplified physics, the complex geometries of parts usually produced by LPBF AM processes make this kind of analysis computationally expensive. In fact, small geometrical features - which might be generated when the part is design following the principal of the so-called design for AM, for instance, by means of topology optimization procedures - often require complex conformal meshes. Immersed boundary methods seem to offer a valid alternative to deal with this kind of complexity. The two-level method lies within this family of numerical methods and presents a very flexible tool to deal with multi-scale problems. In this contribution, we apply the recently introduced two-level method to part-scale thermal analysis of LPBF manufactured components, first validating the proposed part-scale model with respect to experimental measurements from the literature and then applying the presented numerical framework to simulate a complete LPBF process of a topologically optimized structure, showing the capability of the method to easily deal with complex geometrical features.

math.NA↗

arXiv2021

A spatiotemporal two-level method for high-fidelity thermal analysis of laserpowder bed fusion

Numerical simulation of the laser powder bed fusion (LPBF) procedure for additive manufacturing (AM) is difficult due to the presence of multiple scales in both time and space, ranging from the part scale (order of millimeters/seconds) to the powder scale (order of microns/milliseconds). This difficulty is compounded by the fact that the regions of small-scale behavior are not fixed, but change in time as the geometry is produced. While much work in recent years has been focused on resolving the problem of multiple scales in space, there has been less work done on multiscale approaches for the temporal discretization of LPBF problems. In the present contribution, we extend on a previously introduced two-level method in space by combining it with a multiscale time integration method. The unique transfer of information through the transmission conditions allows for interaction between the space and time scales while reducing computational costs. At the same time, all of the advantages of the two-level method in space (namely its geometrical flexibility and the ease in which one may deploy structured, uniform meshes) remain intact. Adopting the proposed multiscale time integration scheme, we observe a computational speed-up by a factor $\times 2.44$ compared to the same two-level approach with uniform time integration, when simulating a laser source traveling on a bare plate of nickel-based superalloy material following an alternating scan path of fifty laser tracks.

math.NA↗