Related papers: Coarse-graining the dynamics of immersed and drive…
A coarse-grained water model is developed using multistate iterative Boltzmann inversion. Following previous work, the k-means algorithm is used to dynamically map multiple water molecules to a single coarse-grained bead, allowing the use…
Non-Newtonian transport properties of a dilute gas of inelastic hard spheres immersed in a molecular gas are determined. We assume that the granular gas is sufficiently rarefied and hence, the state of the molecular gas is not disturbed by…
The deformation of brittle material is primarily accompanied by micro-cracking and faulting. However, it has often been found that continuum fluid models, usually based on a non-Newtonian viscosity, are applicable. To explain this rheology,…
Non-spherical particles transported by an anisotropic turbulent flow preferentially align with the mean shear and intermittently tumble when the local strain fluctuates. Such an intricate behaviour is here studied for inertialess,…
We establish, through coarse-grained computation, a connection between traditional, continuum numerical algorithms (initial value problems as well as fixed point algorithms) and atomistic simulations of the Larson model of micelle…
We investigate 3-dimensional flagellar swimming in a fluid with a sparse network of stationary obstacles or fibers. The Brinkman equation is used to model the average fluid flow where a flow-dependent term, including a resistance parameter…
The paper constructs a coarse-grained model to investigate dry sliding friction of the body-centered-cubic Fe micron-scale system by smoothed particle hydrodynamics simulations and examines influences of the spring force on the characters…
We study an elasticity model for compressed protein monolayers or particle rafts at a liquid interface. Based on the microscopic view of hard-core particles with soft shells, a bead-spring model is formulated and analyzed in terms of…
Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…
Many approaches of coarse-graining have been developed under the names of Cosserat theory or polar-fluid theory, for those materials in which some component elements undergo non-affine deformations, such as elastic materials with inclusions…
Fine particle suspensions (such as cornstarch mixed with water) exhibit dramatic changes in viscosity when sheared, producing fascinating behaviors that captivate children and rheologists alike. Recent examination of these mixtures in…
Embedding geometries in structured grids allows a simple treatment of complex objects in fluid simulations. Various methods for embedding geometries are available. The commonly used Brinkman-volume-penalization models geometries as porous…
Three coarse-grained molecular dynamics (MD) models are investigated with the aim of developing and analyzing multiscale methods which use MD simulations in parts of the computational domain and (less detailed) Brownian dynamics (BD)…
The rheological properties of fibrin networks have been of long-standing interest. As such there is a wealth of studies of their shear and tensile responses, but their compressive behavior remains unexplored. Here, by characterization of…
Confined granular fluids, placed in a shallow box that is vibrated vertically, can achieve homogeneous stationary states thanks to energy injection mechanisms that take place throughout the system. These states can be stable even at high…
We develop a mean-field model to examine the stability of a `quasi-2D suspension' of elongated particles embedded within a viscous membrane. This geometry represents several biological and synthetic settings, and we reveal mechanisms by…
A series of coarse-grained models have been developed for the study of the molecular dynamics of RNA nanostructures. The models in the series have one to three beads per nucleotide and include different amounts of detailed structural…
We present the conceptual and technical background required to describe and understand the correlations and fluctuations of the empirical density and current of steady-state diffusion processes on all time scales -- observables central to…
Fluid flows containing dilute or dense suspensions of thin fibers are widespread in biological and industrial processes. To describe the motion of a thin immersed fiber, or to describe the forces acting on it, it is convenient to work with…
The mechanical behavior of closed-cell foams in compression is analyzed by means of the finite element simulation of a representative volume element of the microstructure. The digital model of the foam includes the most relevant details of…