Related papers: Particlization in hybrid models
Monte Carlo simulations using a hybrid quantum and classical mechanical potential were performed for crystal and amorphous-like HCl-water(n) clusters The subsystem composed by HCl and one water molecule was treated within Density Functional…
The study of multiparticle correlations and collectivity in the hot and dense matter created in collisions of heavy-ions as well as those of smaller systems such as proton--heavy-ion collisions has progressed to the point where detailed…
Using a phase field crystal model we study the structure and dynamics of a drop of colloidal suspension during evaporation of the solvent. We model an experimental system where contact line pinning of the drop on the substrate is…
Accurate mesh-free simulation of fluid flows involving complex boundaries requires that the boundaries be captured accurately in terms of particles. In the context of incompressible/weakly-compressible fluid flow, the SPH method is more…
In this study, we investigate high-accuracy three-dimensional surface detection in smoothed particle hydrodynamics for free-surface flows. A new geometrical method is first developed to enhance the accuracy of free-surface particle…
The phase diagram of water harbours many mysteries: some of the phase boundaries are fuzzy, and the set of known stable phases may not be complete. Starting from liquid water and a comprehensive set of 50 ice structures, we compute the…
Generating intelligent robot behavior in contact-rich settings is a research problem where zeroth-order methods currently prevail. Developing methods that make use of first/second order information about rigid-body dynamics in the presence…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
Two-dimensional Molecular Dynamics simulations are used to model the free surface flow of spheres falling down an inclined chute. The interaction between the particles in our model is assumed to be subjected to the Hertzian contact force…
Here I discuss some implicit assumptions of modern hydrodynamic models and argue that their accuracy cannot be better than 10-15 %. Then I formulate the correct conservation laws for the fluid emitting particles from an arbitrary freeze-out…
We use numerical simulations to study the crystallization of monodisperse systems of hard aspherical particles. We find that particle shape and crystallizability can be easily related to each other when particles are characterized in terms…
When tracking a large number of targets, it is often computationally expensive to represent the full joint distribution over target states. In cases where the targets move independently, each target can instead be tracked with a separate…
New model equations are derived for dynamics of self-aggregation of finite-size particles. Differences from standard Debye-Huckel and Keller-Segel models are: the mobility of particles depends on the configuration of their neighbors and…
Heavy ion collisions generate strong fluid vorticty in the produced hot quark-gluon matter which could in turn induce measurable spin polarization of hadrons. We review recent progress on the vorticity formation and spin polarization in…
Much work has been devoted to analysing thermodynamic models for solid dispersions with a view to identifying regions in the phase diagram where amorphous phase separation or drug recrystallization can occur. However, detailed partial…
This paper deals with simulation of flow and transport in porous media such as transport of groundwater contaminants. We first discuss how macro scale equations are derived and which terms have to be closed by models. The transport of…
This paper describes the results of our theoretical and numerical studies of hydrodynamic interactions in a suspension of spherical particles confined between two parallel planar walls, under creeping-flow conditions. We propose a novel…
The strongly interacting system created in ultrarelativistic nuclear collisions behaves almost as an ideal fluid with rich patterns of the velocity field exhibiting strong vortical structure. Vorticity of the fluid, via spin-orbit coupling,…
Hydrodynamic interactions in a suspension of spherical particles confined between two parallel planar walls are studied under creeping-flow conditions. The many-particle friction matrix in this system is evaluated using our novel numerical…
In many interfacial flow systems, variations of surface properties lead to novel and interesting behaviors. In this work a three-dimensional model of flow dynamics for multicomponent vesicles is presented. The surface composition is modeled…