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The use of molecular dynamics (MD) simulations has led to promising results to unravel the atomistic origins of adhesive wear, and in particular for the onset of wear at nanoscale surface asperities. However, MD simulations come with a high…
Investigation of the eigenvalue spectra of dynamo solutions, has been proved fundamental for the knowledge of dynamo physics. Earlier, curvature-folding relation on dynamos in Riemannian spaces has been investigated [PPL 2008]. Here,…
Accretion and ablation, i.e. the addition and removal of mass at the surface, is important in a wide range of physical processes including solidification, growth of biological tissues, environmental processes, and additive manufacturing.…
Two dimensional flows on fixed smooth surfaces have been studied in the point of view of vorticity dynamics. Firstly, the related deformation theory including kinematics and kinetics is developed. Secondly, some primary relations in…
We present a general procedure to introduce electronic polarization into classical Molecular Dynamics (MD) force-fields using a Neural Network (NN) model. We apply this framework to the simulation of a solid-liquid interface where the…
We propose that several mechanisms contribute to friction in a polymer melt adsorbed at a structured surface. The first one is the well known disentanglement of bulk polymer chains from the surface layer. However, if the surface is ideal at…
This is our current research perspective on models providing insight into statistical mechanics. It is necessarily personal, emphasizing our own interest in simulation as it developed from the National Laboratories' work to the worldwide…
The dynamics of a set of rods bouncing on a vertically vibrated plate is investigated using experiments, simulations, and theoretical analysis. The experiments and simulations are performed within an annulus to impose periodic boundary…
We propose a moving mesh adaptive approach for solving time-dependent partial differential equations. The motion of spatial grid points is governed by a moving mesh PDE (MMPDE) in which a mesh relaxation time \tau is employed as a…
Controlling the shape and position of moving and pinned droplets on a solid surface is an important feature often found in microfluidic applications. However, automating them, e.g., for high-throughput applications, does rarely involve…
The capillary forces exerted by liquid drops and bubbles on a soft solid are directly measured using molecular dynamics simulations. The force on the solid by the liquid near the contact line is not oriented along the liquid vapor interface…
The effect of alternating shear orientation during cyclic loading on the relaxation dynamics in disordered solids is examined using molecular dynamics simulations. The model glass was initially prepared by rapid cooling from the liquid…
The static as well as the dynamic behaviour of granular material are determined by dynamic {\it and} static friction. There are well known methods to include static friction in molecular dynamics simulations using scarcely understood…
Jamming is a fundamental transition that governs the mechanical behavior of particulate media, including sand, foam and dense suspensions but also biological tissues: Upon compression, particulate media can change from freely flowing to a…
We present a physical model for turbulent friction on rough surfaces with regularly distributed roughness elements. Wall shear stresses are expressed as functions of physical quantities. Surfaces with varying roughness densities and…
Hybrid particle-field methods are computationally efficient approaches for modelling soft matter systems. So far applications of these methodologies have been limited to constant volume conditions. Here, we reformulate particle-field…
In this paper, we propose a variational formulation to study the singular evolution equations that govern the dynamics of surface modulations on crystals below the roughening temperature. The basic idea of the formulation is to expand the…
The dynamical response of a lipid membrane to a local perturbation of its molecular symmetry is investigated theoretically. A density asymmetry between the two membrane leaflets is predominantly released by in-plane lipid diffusion or…
Mixed-quantum-classical molecular dynamics simulation implies an effective measurement on the electronic states owing to continuously tracking the atomic forces.Based on this insight, we propose a quantum trajectory mean-field approach for…
A deterministic theory describing the behavior of an ultrathin lubricant film between two atomically-smooth solid surfaces is proposed. For the description of lubricant state the parameter of excess volume arising due to chaotization of…