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The conventional no-slip boundary condition leads to a non-integrable stress singularity at a moving contact line. This makes numerical simulations challenging, especially when capillary effects are essential for the dynamics of the flow.…

Fluid Dynamics · Physics 2017-09-18 Hanna Holmgren , Gunilla Kreiss

Local interactions among biomolecules, and the role played by their environment, have gained increasing attention in modelling biochemical reactions. By defining the automaton of molecular perceptions, we explore an agent-based…

Computational Engineering, Finance, and Science · Computer Science 2021-11-24 Stefano Maestri , Emanuela Merelli

Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…

Computational Physics · Physics 2020-12-25 Wujie Wang , Simon Axelrod , Rafael Gómez-Bombarelli

We study equilibrium properties of polymer films and droplets on a solid substrate employing particle-based simulation techniques (Molecular Dynamics) and a continuum description. Parameter-passing techniques are explored that facilitate a…

Soft Condensed Matter · Physics 2013-03-25 Nikita Tretyakov , Marcus Müller , Desislava Todorova , Uwe Thiele

Numerous cell-types have shown a remarkable ability to detect and move along gradients in stiffness of an underlying substrate -- a process known as durotaxis. The mechanisms underlying durotaxis are still unresolved, but generally believed…

When a liquid droplet impacts a vibrated micro-structured surface with asymmetric topology, the liquids perform a horizontal motion during its bouncing. The moving effect is observed when the liquid is in contact with a low surface energy…

Fluid Dynamics · Physics 2020-09-10 Dinh-Tuan Phan , Hao Yu , Tuan Tran

We formulate theoretical modeling approaches and develop practical computational simulation methods for investigating the non-equilibrium statistical mechanics of fluid interfaces with passive and active immersed particles. Our approaches…

Soft Condensed Matter · Physics 2024-10-03 Dev Jasuja , Paul J. Atzberger

Active droplets are artificial microswimmers built from a liquid dispersion by microfluidic tools and showing self-propelled motion. These systems hold particular interest for mimicking biological phenomena, such as some aspects of cell…

Soft Condensed Matter · Physics 2023-06-14 Adriano Tiribocchi , Mihir Durve , Marco Lauricella , Andrea Montessori , Davide Marenduzzo , Sauro Succi

In this paper is described a numerical scheme that is used to simulate the coalescence process between clusters of water drops immersed in a continuous hydrocarbon phase (n-heptane). Two different values for the initial velocity of the…

Soft Condensed Matter · Physics 2017-07-10 Alejandro Acevedo-Malavé

The effect of a step wise change in the pillar density on the dynamics of droplets is investigated via three-dimensional lattice Boltzmann simulations. For the same pillar density gradient but different pillar arrangements, both motion over…

Soft Condensed Matter · Physics 2015-05-14 Nasrollah Moradi , fathollah Varnik , Ingo Steinbach

There are many problems in biochemistry that are difficult to study experimentally. Simulation methods are appealing due to direct availability of atomic coordinates as a function of time. However, direct molecular simulations are…

Biomolecules · Quantitative Biology 2023-05-24 Malin Luking , David van der Spoel , Johan Elf , Gareth A. Tribello

A variety of models for the membrane-mediated interaction of particles in lipid membranes, mostly well-established in theoretical physics, is reviewed from a mathematical perspective. We provide mathematically consistent formulations in a…

Analysis of PDEs · Mathematics 2016-06-29 Charles M. Elliott , Carsten Gräser , Graham Hobbs , Ralf Kornhuber , Maren-Wanda Wolf

Droplet motion over a surface with wettability gradient has been simulated using molecular dynamics (MD) simulation to highlight the underlying physics. GROMACS and Visual Molecular Dynamics (VMD) were used for simulation and intermittent…

Fluid Dynamics · Physics 2015-04-13 Monojit Chakraborty , Anamika Chowdhury , Richa Bhusan , Sunando DasGupta

We study the pairwise interactions of drops in an applied uniform DC electric field within the framework of the leaky dielectric model. We develop three-dimensional numerical simulations using the boundary integral method and an analytical…

We study the thermodynamics of binary mixtures with the volume fraction of the minority component less than the amount required to form a flat interface and show that the surface tension dominated equilibrium phase of the mixture forms a…

Soft Condensed Matter · Physics 2023-03-07 Subhadip Biswas , Biswaroop Mukherjee , Buddhapriya Chakrabarti

In this paper we describe a method for modeling the dynamic behavior of splashing fluids. The model simulates the behavior of a fluid when objects impact or float on its surface. The forces generated by the objects create waves and splashes…

Graphics · Computer Science 2023-02-14 James F. O'Brien , Jessica K. Hodgins

Active fluid droplets surrounded by oil can spontaneously develop circulatory flows. However, the dynamics of the surrounding oil and their influence on the active fluid remain poorly understood. To investigate interactions between the…

Fluid Dynamics · Physics 2021-05-27 Yen-Chen Chen , Brock Jolicoeur , Chih-Che Chueh , Kun-Ta Wu

In this fluid dynamics video we show simulations of droplet breakup and collisions in simple shear flow. Due to the high resolution of the GPU-based simulations, we capture the transition from coalescence at low capillary numbers to sliding…

Fluid Dynamics · Physics 2012-10-16 Orest Shardt , Alexandra Komrakova , J. J. Derksen , Sushanta K. Mitra

We study the dynamics of a droplet moving on an inclined rough surface in the absence of inertial and viscous stress effects. In this case, the dynamics of the droplet is a purely geometric motion in terms of the wetting domain and the…

Numerical Analysis · Mathematics 2022-11-08 Yuan Gao , Jian-Guo Liu

The precise encapsulation of deformable particles in multiphase flows involves complex transient Fluid-Structure Interactions (FSI) and topological interfacial changes. In the context of single-cell analysis, a numerical framework that…

Fluid Dynamics · Physics 2026-03-18 Andi Liu , Guohui Hu