68 citations · 247 across the 10 of their papers we have counts for
10 papers
A multi-scale method for complex flows of non-Newtonian fluids
Francesca Tedeschi, Giulio G. Giusteri, Leonid Yelash +1
We introduce a new heterogeneous multi-scale method for the simulation of flows of non-Newtonian fluids in general geometries and present its application to paradigmatic two-dimens…
Shear-thinning in Polymer Melts -- Molecular Origins and Hybrid Multiscale Simulations
Ranajay Datta, Leonid Yelash, Friederike Schmid +4
We investigate the molecular origin of shear-thinning in melts of flexible, semiflexible and rigid oligomers with coarse-grained simulations of a sheared melt. Alignment, stretchin…
Molecular dynamics simulations in hybrid particle-continuum schemes: Pitfalls and caveats
Stefanie Stalter, Leonid Yelash, Nehzat Emamy +4
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft ma…
A slow process in confined polymer melts: layer exchange dynamics at a polymer solid interface
L. Yelash, P. Virnau, K. Binder +1
Employing Molecular Dynamics simulations of a chemically realistic model of 1,4-polybutadiene between graphite walls we show that the mass exchange between layers close to the wall…
Molecular Dynamics simulation of evaporation processes of fluid bridges confined in slit-like pore
Katarzyna Bucior, Leonid Yelash, Kurt Binder
A simple fluid, described by point-like particles interacting via the Lennard-Jones potential, is considered under confinement in a slit geometry between two walls at distance Lz a…
Coarse-grained models for fluids and their mixtures: Comparison of Monte Carlo studies of their phase behavior with perturbation theory and experiment
B. M. Mognetti, P. Virnau, L. Yelash +4
The prediction of the equation of state and the phase behavior of simple fluids (noble gases, carbon dioxide, benzene, methane, short alkane chains) and their mixtures by Monte Car…