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We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidised Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and…

Materials Science · Physics 2008-07-22 Daniel J. Cole , Mike C. Payne , Gabor Csanyi , S. Mark Spearing , L. Colombi Ciacchi

We consider van der Waals interactions between in-plane fibers, where the computational model employs the Lennard-Jones potential and the coarse-grained approach. The involved 6D integral over two interacting fibers is split into a 4D…

Computational Physics · Physics 2026-01-12 Aleksandar Borković , Michael H. Gfrerer , Roger A. Sauer , Benjamin Marussig

We analyze a linear 3D/3D fluid-structure interaction problem between a thin layer of a viscous fluid and a thin elastic plate-like structure with the aim of deriving a simplified reduced model. Based on suitable energy dissipation…

Analysis of PDEs · Mathematics 2020-08-07 Mario Bukal , Boris Muha

Nonlinear bending phenomena of thin elastic structures arise in various modern and classical applications. Characterizing low energy states of elastic rods has been investigated by Bernoulli in 1738 and related models are used to determine…

Numerical Analysis · Mathematics 2024-12-20 Sören Bartels

The paper is devoted to two-phase flow simulations and investigates the ability of a diffusive interface Cahn-Hilliard Volume-of-Fluid model to capture the dynamics of the air-sea interface at geophysically relevant Reynolds numbers. It…

Carbon-elastomer composites exhibit complex piezoresistive behaviour that cannot be fully explained by existing macroscopic or microstructural models. In this work, we introduce a network-based modelling methodology to explore the…

Soft Condensed Matter · Physics 2026-01-01 Logan Ritchie , Elke Pahl , Iain Anderson

A phase-field model that allows for quantitative simulations of low-speed eutectic and peritectic solidification under typical experimental conditions is developed. Its cornerstone is a smooth free-energy functional, designed so that the…

Materials Science · Physics 2009-11-11 R. Folch , M. Plapp

We develop a robust physics-guided diffusion framework for full-waveform inversion that combines a score-based generative prior with likelihood guidance computed through wave-equation simulations. We adopt a transport-based data-consistency…

Numerical Analysis · Mathematics 2026-03-18 Jishen Peng , Enze Jiang , Zheng Ma , Xiongbin Yan

We study a new fully averaged poroelastic Kirchhoff plate model coupled with the flow of an incompressible, viscous fluid governed by the time-dependent Stokes equations. The fully averaged formulation offers several advantages over the…

Analysis of PDEs · Mathematics 2026-05-20 Felix Brandt , Sunčica Čanić , Andrew Scharf , Josip Tambača

We investigate the effect of inertial particles on Rayleigh-B\'enard convection using weakly nonlinear stability analysis. In the presence of nonlinear effects, we study the limiting value of growth of instabilities by deriving a cubic…

Fluid Dynamics · Physics 2025-03-20 Thota Srinivas , Gaurav Tomar

We propose a sharp-interface model for solid-state dewetting of thin films with wetting potential, where the wetting effect is incorporated through a thickness-dependent surface energy. The model is governed by surface diffusion together…

Numerical Analysis · Mathematics 2026-04-29 Weijie Huang , Xinran Ruan

We rigorously derive a Kirchhoff plate theory, via $\Gamma$-convergence, from a three-di\-men\-sio\-nal model that describes the finite elasticity of an elastically heterogeneous, thin sheet. The heterogeneity in the elastic properties of…

Analysis of PDEs · Mathematics 2018-07-17 Virginia Agostiniani , Alessandro Lucantonio , Danka Lučić

We present a new scheme to include the van der Waals (vdW) interactions in approximated Density Functional Theory (DFT) by combining the Quantum Harmonic Oscillator model with the Maximally Localized Wannier Function technique. With respect…

Materials Science · Physics 2015-06-16 Pier Luigi Silvestrelli

We present a new and efficient phase-field solver for viscoelastic fluids with moving contact line based on a dual-resolution strategy. The interface between two immiscible fluids is tracked by using the Cahn-Hilliard phase-field model, and…

Fluid Dynamics · Physics 2022-09-27 Kazem Bazesefidpar , Luca Brandt , Outi Tammisola

This paper explores the fluid-elastic response of a cantilevered flexible sheet in the presence of uniform airflow. The leading edge of the sheet is clamped, while at the trailing edge, in-plane tension is applied to provide additional…

Fluid Dynamics · Physics 2011-01-14 Michael T. Morris-Thomas , Sverre Steen

Metal additive manufacturing via laser-based powder bed fusion (PBF-LB/M) faces performance-critical challenges due to complex melt pool and vapor dynamics, often oversimplified by computational models that neglect crucial aspects, such as…

Computational Engineering, Finance, and Science · Computer Science 2025-07-03 Magdalena Schreter-Fleischhacker , Nils Much , Peter Munch , Martin Kronbichler , Wolfgang A. Wall , Christoph Meier

In a powder bed fusion additive manufacturing (AM) process, the balling effect has a significant impact on the surface quality of the printing parts. Surface wetting helps the bonding between powder and substrate and the inter-particle…

Fluid Dynamics · Physics 2021-05-05 Lu Li , Ji-Qin Li , Tai-Hsi Fan

We consider potential-based interactions between beams (or fibers) and shells (or membranes) using a coarse-grained approach with focus on van der Waals attraction and steric repulsion. The involved 6D integral over volumes of a beam and a…

Numerical Analysis · Mathematics 2026-03-02 Aleksandar Borković , Michael H. Gfrerer , Roger A. Sauer

The associative interaction, such as hydrogen bonding, can bring about versatile functionalities to polymer systems, which has been investigated by tremendous researches, but the fundamental understanding on association process is still…

Soft Condensed Matter · Physics 2025-01-20 Xiangyu Zhang , Dong Meng

A van der Waals (vdW) density functional was implemented in the mixed basis approach previously developed for studying two dimensional systems, in which the vdW interaction plays an important role. The basis functions here are taken to be…

Computational Physics · Physics 2017-12-27 Chung-Yuan Ren , Yia-Chung Chang , Chen-Shiung Hsue