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Machine-learning interatomic potentials (MLIPs) offer a powerful avenue for simulations beyond length and timescales of ab initio methods. Their development for investigation of mechanical properties and fracture, however, is far from…
Microscopic organisms, such as bacteria, have the ability of colonizing surfaces and developing biofilms that can determine diseases and infections. Most bacteria secrete a significant amount of extracellular polymer substances that are…
Encapsulation of chemicals using polymer membranes enables to control their transport and delivery for applications such as agrochemistry or detergency. To rationalize the design of polymer capsules, it is necessary to understand how the…
The study of interactions between biomimetic membranes and micron-sized particles is crucial for understanding various biological processes. Here, we control microparticle spontaneous engulfment by giant lipid vesicles by tuning particle…
We introduce a mesocopic modeling approach for active systems. The continuum model allows to consider microscopic details as well as emerging macroscopic behavior and can be considered as a minimal continuum model to describe generic…
This paper discusses a continuum approach to track the evolution of permeability in granular rocks by accounting for the combined effect of porosity changes, grain breakage and cement bond damage. To account for such a broad range of…
Many stiff biological materials exhibiting outstanding compressive strength/weight ratio are characterized by high porosity, spanning different size-scales, typical examples being bone and wood. A successful bio-mimicking of these materials…
Assembly of colloidal particles on fluid interfaces is a promising technique for synthesizing two-dimensional micro-crystalline materials useful in fields as diverse as biomedicine1, materials science2, mineral flotation3 and food…
Microorganisms are ubiquitous in nature and technology. They inhabit diverse environments ranging from small river tributaries and lakes to oceans, as well as wastewater treatment plants and food manufacturing. In many of these…
Microcapsules allow for the controlled containment, transport, and release of cargoes ranging from pharmaceuticals to fragrances. Given the interest from a variety of industries in microcapsules and other core-shell structures, a multitude…
The formation of deformed liquid marbles via impact of drops onto powder beds is analysed using experimental and computational modelling approaches. Experimentally, particular attention is paid to determining a relationship between the…
We model within the kinetic Monte Carlo method the initiation of neck formation and then later evolution of the resulting bridging regions for configurations involving small particles initially positioned fitted between large particles for…
The main purpose of this work is to simulate two-phase flow in the form of immiscible displacement through anisotropic, three-dimensional (3D) discrete fracture networks (DFN). The considered DFNs are artificially generated, based on a…
Dielectric properties are intimately related to the content and composition of the liquid phase present in micro- and mesoporous materials. The presence of ions is recognized to affect the dielectric response of electrolytes in a complex…
Research on transport, self-assembly and defect dynamics within confined, flowing liquid crystals requires versatile and computationally efficient mesoscopic algorithms to account for fluctuating nematohydrodynamic interactions. We present…
Abstract: In our paper the new algorithm enhanced multi gradient Dilution Preparation (EMDP) is discussed. This new algorithm is reported with a lab on chip or digital Microfluidic biochip to operate multiple operation on a tiny chip. We…
Microswimmers such as E. Coli bacteria accumulate and exhibit an intriguing dynamics near walls, governed by hydrodynamic and steric interactions. Insight into the underlying mechanisms and predominant interactions demand a detailed…
Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…
The heterogeneous distribution of water-repellent materials at the soil surface causes a phenomenon known as fractional wettability. This condition frequently triggers destabilization of the wetting front during water infiltration,…
We summarize a series of numerical experiments of collisional dynamics in dense stellar systems such as globular clusters (GCs) and in weakly collisional plasmas using a novel simulation technique, the so-called Multi-particle collision…