A coupling concept for Stokes-Darcy systems: The ICDD method

We present a coupling framework for Stokes-Darcy systems valid for arbitrary flow direction at low Reynolds numbers and for isotropic porous media. The proposed method is based on an overlapping domain decomposition concept to represent the transition region between the free-fluid and the porous-medium regimes. Matching conditions at the interfaces of the decomposition impose the continuity of velocity (on one interface) and pressure (on the other one) and the resulting algorithm can be easily implemented in a non-intrusive way. The numerical approximations of the fluid velocity and pressure obtained by the studied method converge to the corresponding counterparts computed by direct numerical simulation at the microscale, with convergence rates equal to suitable powers of the scale separation parameter ε in agreement with classical results in homogenization

Development of an Optimization-Based Atomistic-to-Continuum Coupling Method

Atomistic-to-Continuum (AtC) coupling methods are a novel means of computing the properties of a discrete crystal structure, such as those containing defects, that combine the accuracy of an atomistic (fully discrete) model with the efficiency of a continuum model. In this note we extend the optimization-based AtC, formulated in arXiv:1304.4976 for linear, one-dimensional problems to multi-dimensional settings and arbitrary interatomic potentials. We conjecture optimal error estimates for the multidimensional AtC, outline an implementation procedure, and provide numerical results to corroborate the conjecture for a 1D Lennard-Jones system with next-nearest neighbor interactions.Comment: 12 pages, 3 figure

Electronic structure of wet DNA.

The electronic properties of a Z-DNA crystal synthesized in the laboratory are investigated by means of density-functional theory Car-Parrinello calculations. The electronic structure has a gap of only 1.28 eV. This separates a manifold of 12 occupied states which came from the pi guanine orbitals from the lowest empty states in which the electron is transferred to the Na+ from PO-4 groups and water molecules. We have evaluated the anisotropic optical conductivity. At low frequency the conductivity is dominated by the pi-->Na+ transitions. Our calculation demonstrates that the cost of introducing electron holes in wet DNA strands could be lower than previously anticipated

Optimal control in heterogeneous domain decomposition methods

Some new domain decomposition methods (DDM) based on optimal control approach are introduced for the coupling of first- and second-order equations on overlapping subdomains. Several cost functionals and control functions are proposed. Uniqueness and existence results are proved for the coupled problem and the convergence of iterative processes is analyze

The INTERNODES method for applications in contact mechanics and dedicated preconditioning techniques

The mortar finite element method is a well-established method for the numerical solution of partial differential equations on domains displaying non-conforming interfaces. The method is known for its application in computational contact mechanics. However, its implementation remains challenging as it relies on geometrical projections and unconventional quadrature rules. The INTERNODES (INTERpolation for NOn-conforming DEcompositionS) method, instead, could overcome the implementation difficulties thanks to flexible interpolation techniques. Moreover, it was shown to be at least as accurate as the mortar method making it a very promising alternative for solving problems in contact mechanics. Unfortunately, in such situations the method requires solving a sequence of ill-conditioned linear systems. In this paper, preconditioning techniques are designed and implemented for the efficient solution of those linear systems

A matrix–free high–order solver for the numerical solution of cardiac electrophysiology

We propose a matrix-free solver for the numerical solution of the cardiac electrophysiology model consisting of the monodomain nonlinear reaction-diffusion equation coupled with a system of ordinary differential equations for the ionic species. Our numerical approximation is based on the high-order Spectral Element Method (SEM) to achieve accurate numerical discretization while employing a much smaller number of Degrees of Freedom than first-order Finite Elements. We combine vectorization with sum- factorization, thus allowing for a very efficient use of high-order polynomials in a high performance computing framework. We validate the effectiveness of our matrix-free solver in a variety of applications and perform different electrophysiological simulations ranging from a simple slab of cardiac tissue to a realistic four-chamber heart geometry. We compare SEM to SEM with Numerical Integration (SEM-NI), showing that they provide comparable results in terms of accuracy and efficiency. In both cases, increasing the local polynomial degree p leads to better numerical results and smaller computational times than reducing the mesh size h. We also implement a matrix-free Geometric Multigrid preconditioner that results in a comparable number of linear solver iterations with respect to a state-of-the-art matrix-based Algebraic Multigrid preconditioner. As a matter of fact, the matrix-free solver proposed here yields up to 45x speed-up with respect to a conventional matrix-based solver. (c) 2023 Elsevier Inc. All rights reserved

A matrix–free high–order solver for the numerical solution of cardiac electrophysiology

We propose a matrix-free solver for the numerical solution of the cardiac electrophysiology model consisting of the monodomain nonlinear reaction-diffusion equation coupled with a system of ordinary differential equations for the ionic species. Our numerical approximation is based on the high-order Spectral Element Method (SEM) to achieve accurate numerical discretization while employing a much smaller number of Degrees of Freedom than first-order Finite Elements. We combine vectorization with sum- factorization, thus allowing for a very efficient use of high-order polynomials in a high performance computing framework. We validate the effectiveness of our matrix-free solver in a variety of applications and perform different electrophysiological simulations ranging from a simple slab of cardiac tissue to a realistic four-chamber heart geometry. We compare SEM to SEM with Numerical Integration (SEM-NI), showing that they provide comparable results in terms of accuracy and efficiency. In both cases, increasing the local polynomial degree p leads to better numerical results and smaller computational times than reducing the mesh size h. We also implement a matrix-free Geometric Multigrid preconditioner that results in a comparable number of linear solver iterations with respect to a state-of-the-art matrix-based Algebraic Multigrid preconditioner. As a matter of fact, the matrix-free solver proposed here yields up to 45x speed-up with respect to a conventional matrix-based solver. (c) 2023 Elsevier Inc. All rights reserved

Does the quantity of enteral nutrition affect outcomes in critically ill trauma patients?

Abstract from Clinical Nutrition Week, Orlando, FL, January 29-February 2, 2005

FE modelling strategies of weld repair in pre-stressed thin components

Two computational procedures have been developed in the commercial finite element (FE) software codes Sysweld and Abaqus to analyse and predict the residual stress state after the repair of small weld defects in thin structural components. The numerical models allow the effects of the repair to be studied when a pre-existing residual stress field is present in the fabricated part and cannot be relieved by a thermal treatment. In this work the modelling strategies are presented and tested by simulating a repair of longitudinal welds in thin sheets of Inconel 718 (IN718). Although the numerical strategies in the two codes are intrinsically different, the results show a significant agreement, predicting a notable effect imposed by the initial residual stress