Publications associées à Méthode sans maillage

Benchmarking machine-readable vectors of chemical reactions on computed activation barriers

Anne-Clémence Corminboeuf, Ksenia Briling, Puck Elisabeth van Gerwen, Yannick Calvino Alonso, Malte Martin Franke

In recent years, there has been a surge of interest in predicting computed activation barriers, to enable the acceleration of the automated exploration of reaction networks. Consequently, various predictive approaches have emerged, ranging from graph-based ...

Royal Soc Chemistry2024

Model reduction of coupled systems based on non-intrusive approximations of the boundary response maps

Jan Sickmann Hesthaven, Niccolo' Discacciati

We propose a local, non -intrusive model order reduction technique to accurately approximate the solution of coupled multi -component parametrized systems governed by partial differential equations. Our approach is based on the approximation of the boundar ...

Elsevier Science Sa2024

Domain adaptation via alignment of operation profile for Remaining Useful Lifetime prediction

Olga Fink, Ismail Nejjar, Mengjie Zhao

Effective Prognostics and Health Management (PHM) relies on accurate prediction of the Remaining Useful Life (RUL). Data-driven RUL prediction techniques rely heavily on the representativeness of the available time-to-failure trajectories. Therefore, these ...

2024

Semantic Shape Editing with Parametric Implicit Templates

Uday Kusupati

We propose a semantic shape editing method to edit 3D triangle meshes using parametric implicit surface templates, benefiting from the many advantages offered by analytical implicit representations, such as infinite resolution and boolean or blending opera ...

ACM Association for Computing Machinery2024

A Fast Hybrid Pressure-Correction Algorithm for Simulating Incompressible Flows by Projection Methods

Jiannong Fang

To enforce the conservation of mass principle, a pressure Poisson equation arises in the numerical solution of incompressible fluid flow using the pressure-based segregated algorithms such as projection methods. For unsteady flows, the pressure Poisson equ ...

2023

Preserving the positivity of the deformation gradient determinant in intergrid interpolation by combining RBFs and SVD: Application to cardiac electromechanics

Alfio Quarteroni, Francesco Regazzoni

The accurate, robust and efficient transfer of the deformation gradient tensor between meshes of different resolution is crucial in cardiac electromechanics simulations. This paper presents a novel method that combines rescaled localized Radial Basis Funct ...

Elsevier Science Sa2023

Minding Rights: Mapping Ethical and Legal Foundations of 'Neurorights'

Marcello Ienca

The rise of neurotechnologies, especially in combination with artificial intelligence (AI)-based methods for brain data analytics, has given rise to concerns around the protection of mental privacy, mental integrity and cognitive liberty - often framed as ...

CAMBRIDGE UNIV PRESS2023

A review of time reversal-based methods applied to fault location in power networks

Mario Paolone, Farhad Rachidi-Haeri, Zhaoyang Wang, Reza Razzaghi

Electromagnetic time reversal (EMTR)-based methods have been applied to the problem of fault location in power networks since 2012. Over the past decade, considerable theoretical investigations have led to a continuous improvement of the EMTR method in ter ...

2023

Traversing Time Dependent Light Fields for Daylight Glare Evaluation

Stephen William Wasilewski

To understand how daylight gives shape and life to architectural spaces, whether existing or imagined, requires quantifying its dynamism and energy. Maintaining these details presents a challenge to simulation and analysis methods that flatten data into di ...

EPFL2023

GEAR-RT: Towards Exa-Scale Moment Based Radiative Transfer For Cosmological Simulations Using Task-Based Parallelism And Dynamic Sub-Cycling with SWIFT

Mladen Ivkovic

Numerical simulations have become an indispensable tool in astrophysics and cosmology. The constant need for higher accuracy, higher resolutions, and models of ever-increasing sophistication and complexity drives the development of modern tools which targe ...

EPFL2023

Physics-Inspired Equivariant Descriptors of Nonbonded Interactions

Michele Ceriotti, Philip Robin Loche, Kevin Kazuki Huguenin-Dumittan

One essential ingredient in many machine learning (ML) based methods for atomistic modeling of materials and molecules is the use of locality. While allowing better system-size scaling, this systematically neglects long-range (LR) effects such as electrost ...

Amer Chemical Soc2023

A Multiconfigurational Wave Function Implementation of the Frenkel Exciton Model for Molecular Aggregates

Francesco Aquilante

We present an implementation of the Frenkel exciton model into the OpenMolcas program package enabling calculations of collective electronic excited states of molecular aggregates based on a multiconfigurational wave function description of the individual ...

AMER CHEMICAL SOC2023

Lattice Green's function method for Atomistic/Continuum coupling

Ankit Gupta

Metal plasticity is an inherently multiscale phenomenon due to the complex long-range field of atomistic dislocations that are the primary mechanism for plastic deformation in metals. Atomistic/Continuum (A/C) coupling methods are computationally efficient ...

EPFL2023

Revisiting the role of friction coefficients in granular collapses: confrontation of 3-D non-smooth simulations with experiments

Gauthier Paul Daniel Marie Rousseau

In this paper, transient granular flows are examined both numerically and experimentally. Simulations are performed using the continuous three-dimensional (3-D) granular model introduced in Daviet & Bertails-Descoubes (ACM Trans. Graph., vol. 35, no. 4, 20 ...

Cambridge University Press2023

Discontinuous Galerkin methods for Fisher-Kolmogorov equation with application to a-synuclein spreading in Parkinson's disease

Alfio Quarteroni, Francesca Bonizzoni

This spreading of prion proteins is at the basis of brain neurodegeneration. This paper deals with the numerical modelling of the misfolding process of a-synuclein in Parkinson's disease. We introduce and analyse a discontinuous Galerkin method for the sem ...

Elsevier Science Sa2023

Advances in Spillway Hydraulics: From Theory to Practice

Anton Schleiss, José Pedro Gamito de Saldanha Calado Matos

Over the past decades, significant advances have been achieved in hydraulic structures for dams, namely in water release structures such as spillway weirs, chutes, and energy dissipators. This editorial presents a brief overview of the eleven papers in thi ...

2023

Finite element method–discrete element method bridging coupling for the modeling of gouge

Jean-François Molinari, Guillaume Anciaux, Antonio Joaquin Garcia Suarez, Manon Eugénie Voisin--Leprince

We discuss the multiscale modeling of a granular material trapped between continuum elastic domains. The amorphous granular region, usually termed “gouge,” is under high confinement pressure, to represent the loading of faults at depth. We model the granul ...

Wiley2023

An element-based formulation for ES-FEM and FS-FEM models for implementation in standard solid mechanics finite element codes for 2D and 3D static analysis

Slah Drira

Edge-based and face-based smoothed finite element methods (ES-FEM and FS-FEM, respectively) are modified versions of the finite element method allowing to achieve more accurate results and to reduce sensitivity to mesh distortion, at least for linear eleme ...

Wiley2022

Efficient lattice Green's function method for bounded domain problems

William Curtin, Max Ludwig Hodapp, Ankit Gupta

The lattice Green's function method (LGFM) is the discrete counterpart of the continuum boundary element method and is a natural approach for solving intrinsically discrete solid mechanics problems that arise in atomistic-continuum coupling methods. Here, ...

Wiley2022

Microscale hydrodynamic confinements: shaping liquids across length scales as a toolbox in life sciences

Philippe Renaud, David Philipp Taylor, Prerit Mathur

Hydrodynamic phenomena can be leveraged to confine a range of biological and chemical species without needing physical walls. In this review, we list methods for the generation and manipulation of microfluidic hydrodynamic confinements in free-flowing liqu ...

ROYAL SOC CHEMISTRY2022