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This article presents a multi-physics methodology for the numerical simulation of physical systems that involve the non-linear interaction of multi-phase reactive fluids and elastoplastic solids, inducing high strain-rates and high…

Computational Physics · Physics 2021-06-04 Tim Wallis , Philip T. Barton , Nikolaos Nikiforakis

Modelling electrolytes accurately on both a nanoscale and cell level can contribute to improving battery chemistries.[Armand and Tarascon, Nature, 2008, 451, 652-657] We previously presented a thermodynamic continuum model for…

Chemical Physics · Physics 2024-08-09 Constantin Schwetlick , Max Schammer , Arnulf Latz , Birger Horstmann

Shape optimization involves the minimization of a cost function defined over a set of shapes, often governed by a partial differential equation (PDE). In the absence of closed-form solutions, one relies on numerical methods to approximate…

Numerical Analysis · Mathematics 2025-02-21 Eloi Martinet , Leon Bungert

We address the investigation of the solvation properties of the minimal orientational model for water, originally proposed by Bell and Lavis. The model presents two liquid phases separated by a critical line. The difference between the two…

Statistical Mechanics · Physics 2015-06-05 Marcia M. Szortyka , Carlos E. Fiore , Marcia C. Barbosa , Vera B. Henriques

Existing artificial compression based reinitialization scheme for conservative level set method has a few drawbacks, like distortion of fluid-fluid interface, unphysical patch formation away from the interface and lack of mass conservation.…

Computational Physics · Physics 2024-02-09 S. Parameswaran , J. C. Mandal

We present a nonlinear interpolation technique for parametric fields that exploits optimal transportation of coherent structures of the solution to achieve accurate performance. The approach generalizes the nonlinear interpolation procedure…

Numerical Analysis · Mathematics 2023-10-09 Simona Cucchiara , Angelo Iollo , Tommaso Taddei , Haysam Telib

We propose a data-driven mean-curvature solver for the level-set method. This work is the natural extension to $\mathbb{R}^3$ of our two-dimensional strategy in [DOI: 10.1007/s10915-022-01952-2][1] and the hybrid inference system of [DOI:…

Machine Learning · Computer Science 2022-12-12 Luis Ángel Larios-Cárdenas , Frédéric Gibou

In this work, we introduce the first unsupervised method that simultaneously predicts time-varying neural implicit surfaces and deformations between pairs of point clouds. We propose to model the point movement using an explicit velocity…

Computer Vision and Pattern Recognition · Computer Science 2025-01-27 Lu Sang , Zehranaz Canfes , Dongliang Cao , Florian Bernard , Daniel Cremers

This work demonstrates a computational framework for simulating vaporizing, liquid-gas flows. It is developed for the general vaporization problem which solves the vaporization rate based as from the local thermodynamic equilibrium of the…

Computational Physics · Physics 2023-07-21 John Palmore , Olivier Desjardins

The adsorption behavior of ions at liquid-vapor interfaces exhibits several unexpected yet generic features. In particular, energy and entropy are both minimum when the solute resides near the surface, for a variety of ions in a range of…

Statistical Mechanics · Physics 2017-02-08 Suriyanarayanan Vaikuntanathan , Patrick R. Shaffer , Phillip L. Geissler

Level set-based immersed boundary techniques operate on nonconforming meshes while providing a crisp definition of interface and external boundaries. In such techniques, an isocontour of a level set field interpolated from nodal level set…

Computational Engineering, Finance, and Science · Computer Science 2020-07-15 Jorge L. Barrera , Kurt Maute

For over three decades, the front-capturing level-set method has demonstrated its prowess for the simulation, at the mesoscopic scale, of numerous mechanisms in the context of microstructure evolution occurring during complex…

Computational Engineering, Finance, and Science · Computer Science 2023-10-10 Marc Bernacki

A numerical investigation of grain-boundary grooving by means of a Level Set method is carried out. An idealized polygranular interconnect which consists of grains separated by parallel grain boundaries aligned normal to the average…

Materials Science · Physics 2009-10-31 M. Khenner , A. Averbuch , M. Israeli , M. Nathan

We propose an accurate and energy-stable parametric finite element method for solving the sharp-interface continuum model of solid-state dewetting in three-dimensional space. The model describes the motion of the film\slash vapor interface…

Numerical Analysis · Mathematics 2023-07-04 Weizhu Bao , Quan Zhao

We present an enhanced immersed interface method for simulating incompressible fluid flows in thin gaps between closely spaced immersed boundaries. This regime, common in engineered structures such as including tribological interfaces and…

Fluid Dynamics · Physics 2026-03-17 Michael J. Facci , Qi Sun , Boyce E. Griffith

The dynamics of compressible liquid-vapor flow depends sensitively on the microscale behavior at the phase boundary. We consider a sharp-interface approach, and propose a multiscale model to describe liquid-vapor flow accurately, without…

Numerical Analysis · Mathematics 2022-09-14 Jim Magiera , Christian Rohde

The presence of solvent tunes many properties of a molecule, such as its ground and excited state geometry, dipole moment, excitation energy, and absorption spectrum. Because the energy of the system will vary depending on the solvent…

Chemical Physics · Physics 2018-09-13 Tim J. Zuehlsdorff , Christine M. Isborn

We describe a two-level method for computing a function whose zero-level set is the surface reconstructed from given points scattered over the surface and associated with surface normal vectors. The function is defined as a linear…

Graphics · Computer Science 2017-08-23 Rongjiang Pan , Vaclav Skala

In atom probe tomography (APT), accurate reconstruction of the spatial positions of field evaporated ions from measured detector patterns depends upon a correct understanding of the dynamic tip shape evolution and evaporation laws of…

A new higher-order accurate method is proposed that combines the advantages of the classical $p$-version of the FEM on body-fitted meshes with embedded domain methods. A background mesh composed by higher-order Lagrange elements is used.…

Numerical Analysis · Computer Science 2016-04-04 Samir Omerović , Thomas-Peter Fries
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