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Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…
Starch solutions, which are strongly non-Newtonian, show a surface instability, when subjected to a load. A droplet of the fluid is sandwiched between two glass plates and a weight varying from 1 to 5 kgs. is placed on the top plate. The…
Self-propelled particles can navigate complex environments, including viscous fluid interfaces with curved geometries. In this work, we study the emergent dynamics of a suspension of self-propelled particles confined to a stationary curved…
Elastic curvature constants determine many structural and functional properties of fluid membranes. Methods to measure the mean curvature modulus have proved to be robust. In contrast, Gaussian curvature is an intrinsic property of a…
We develop a general incremental framework for hyperelastic solids whose surfaces exhibit both stretch-dependent and curvature-dependent elastic behavior. Building upon a variational formulation of curvature-dependent surface elasticity, we…
Dynamics of spreading of viscous non - volatile fluid droplets on surfaces is modelled using a solid - on - solid model, which is studied with Monte Carlo simulations. Tendency for dynamical layering and surface attraction are in part…
The Surface Cauchy-Born (SCB) method is a computational multi-scale method for the simulation of surface-dominated crystalline materials. We present an error analysis of the SCB method, focused on the role of surface relaxation. In a…
The dynamics of wire frame particles in concentrated suspension are studied by means of a 2D model and compared to those of rod-like particles. The wire frames have bent or branched structures constructed from infinitely thin rigid rods. In…
The surface a thin-film is attached to and the surrounding monolayer causes geometrical confinement of a interrogated molecule; we look at the base case of a SC$_{18}H_{37}$ in a SC$_{18}H_{37}$ monolayer on Au[111]. Normal mode analysis…
This survey article is about discrete constant mean curvature surfaces defined by an approach related to integrable systems techniques. We introduce the notion of discrete constant mean curvature surfaces by first introducing properties of…
Surface tension in drops has been investigated mainly from a thermodynamic standpoint, more rarely with kinetic methods. In the present work, this problem is studied in the framework of kinetic theory, starting from Sutherland's…
The properties of the interface in a phase-separated solution of polymers with different degrees of polymerization and Kuhn segment lengths are calculated. The starting point is the planar interface, the profile of which is calculated in…
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…
We study surface effects in amorphous polymer systems by means of computer simulation. In the framework of molecular dynamics, we present two different methods to prepare such surfaces. {\em Free} surfaces are stabilized solely by…
We introduce a class of discrete models for surface relaxation. By exactly solving the master equation which governs the microscopic dynamics of the surface, we determine the steady state of the surface and calculate its roughness. We will…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
The process of structural relaxation in disordered solids subjected to repeated tension-compression loading is studied using molecular dynamics simulations. The binary glass is prepared by rapid cooling well below the glass transition…
Surface roughness emerges naturally during mechanical removal of material, fracture, chemical deposition, plastic deformation, indentation, and other processes. Here, we use continuum simulations to show how roughness which is neither…
Patterning solid surfaces with varying wettability is important to manage droplets in microfluidics, heat transfer and printing. Solid surface roughness poses fundamental limitations including contact-line pinning and solid friction. Here,…
Surface roughness is a key factor when it comes to friction and wear, as well as to other physical properties. These phenomena are controlled by mechanisms acting at small scales, in which the topography of apparently-flat surfaces is…