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In this thesis, we develop multiscale models for particle simulations in population dynamics. These models are characterised by prescribing particle motion on two spatial scales: microscopic and macroscopic. At the microscopic level, each…

Computational Engineering, Finance, and Science · Computer Science 2016-09-14 Omar Richardson

Intraoperative observation of tissue internal structure is often difficult. Hence, real-time soft tissue deformation is essential for the localization of tumor and other internal structures. We propose a method to simulate the internal…

Computational Geometry · Computer Science 2019-07-26 Haoyin Zhou , Eva Gombos , Mehra Golshan , Jayender Jagadeesan

The properties of polymer liquids on hard and soft substrates are investigated by molecular dynamics simulation of a coarse-grained bead-spring model and dynamic single-chain-in-mean-field (SCMF) simulations of a soft, coarse-grained…

Soft Condensed Matter · Physics 2015-05-18 F. Léonforte , J. Servantie , C. Pastorino , M. Müller

Particle surface chemistry and internal softness are two fundamental parameters in governing the mechanical properties of dense colloidal suspensions, dictating structure and flow, therefore of interest from materials fabrication to…

Soft Condensed Matter · Physics 2024-03-06 Jacopo Vialetto , Shivaprakash N. Ramakrishna , Lucio Isa , Marco Laurati

We study the interaction of small hydrophobic particles on the surface of an ultra-soft elastic gel, in which a small amount of elasticity of the medium balances the weights of the particles. The excess energy of the surface of the deformed…

Soft Condensed Matter · Physics 2014-06-09 Aditi Chakrabarti , Manoj K. Chaudhury

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

Microgels are often discussed as well-suited model system for soft colloids. In contrast to rigid spheres, the microgel volume and, coupled to this, the volume fraction in dispersion can be manipulated by external stimuli. This behavior is…

We present a new type of phase-change behavior relevant for information storage applications, that can be observed in 2D systems with cluster-forming ability. The temperature-based control of the ordering in 2D particle systems depends on…

Statistical Mechanics · Physics 2019-04-30 Rogelio Díaz-Méndez , Guido Pupillo , Fabio Mezzacapo , Mats Wallin , Jack Lidmar , Egor Babaev

Self-assembled monolayers of microparticles encoding Archimedean and non-regular tessellations promise unprecedented structure-property relationships for a wide spectrum of applications in fields ranging from optoelectronics to surface…

We present a detailed numerical study of multi-component colloidal gels interacting sterically and obtained by arrested phase separation. Under deformation, we found that the interplay between the different intertwined networks is key.…

Soft Condensed Matter · Physics 2020-06-11 Claudia Ferreiro-Cordova , Mehdi Bouzid , Emanuela Del Gado , Giuseppe Foffi

Hard-core/soft shell (HCSS) particles have been shown to self-assemble into a remarkably rich variety of structures under compression due to the simple interplay between the hard-core and soft-shoulder length scales in their interactions.…

Soft Condensed Matter · Physics 2020-08-24 Walter R. C. Somerville , Adam D. Law , Marcel Rey , Nicolas Vogel , Andrew J. Archer , D. Martin A. Buzza

Using an interface displacement model derived from a microscopic density functional theory we investigate thin liquidlike wetting layers adsorbed on flat substrates with an embedded chemical heterogeneity forming a stripe. For a wide range…

Soft Condensed Matter · Physics 2009-10-31 C. Bauer , S. Dietrich , A. O. Parry

Microgels, cross-linked polymers with submicrometer size, are ideal soft model systems. While spherical microgels have been studied extensively, anisotropic microgels have been hardly investigated. In this study, we compare the interfacial…

Soft Condensed Matter · Physics 2022-04-05 Anne C. Nickel , Andrey A. Rudov , Igor I. Potemkin , Jérôme J. Crassous , Walter Richtering

Liquid structure at solid-liquid interfaces is critical for many natural and engineered processes ranging from biological signal transduction to electrochemical energy conversion. Advanced experimental and computational methods have…

In this work, we perform a systematic computer simulation study of ice premelting, and explore the thickness and structure of quasi-liquid layers formed at the interface of ice with substrates of different hydrophilicity. Our study shows…

Soft Condensed Matter · Physics 2024-10-30 Łukasz Baran , Pablo Llombart , Luis G. MacDowell

The ordering of particles in the drying process of a colloidal suspension is crucial in determining the properties of the resulting film. For example, microscopic inhomogeneities can lead to the formation of cracks and defects that can…

Soft Condensed Matter · Physics 2021-10-04 Maarten Wouters , Othmane Aouane , Marcello Sega , Jens Harting

The structural characterization of microgels at interfaces is fundamental to understand both their 2D phase behavior and their role as stabilizers that enable emulsions to be broken on demand. However, this characterization is usually…

Recent experimental and theoretical results have shown the existence of a liquid-liquid phase transition in isotropic systems, such as biological solutions and colloids, whose interaction can be represented via an effective potential with a…

Soft Condensed Matter · Physics 2009-11-10 Gianpietro Malescio , Giancarlo Franzese , Anna Skibinsky , Sergey V. Buldyrev , H. Eugene Stanley

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

Soft colloids allow to explore high density states well beyond random close packing. An important open question is whether softness controls the dynamics under these dense conditions. While experimental works reported conflicting results,…

Soft Condensed Matter · Physics 2021-06-08 Nicoletta Gnan , Emanuela Zaccarelli