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Motivated by recent nanofluidics experiments, we use Brownian dynamics and Monte Carlo simulations to study the conformation, organization and dynamics of two polymer chains confined to a single box-like cavity. The polymers are modeled as…
Micelles and vesicles are promising candidates in targeted drug/gene delivery, bioreactors, and templates for nanoparticle synthesis. We investigated the morphology and dynamics of PEG-PDMS-PEG triblock copolymer nano-scale assemblies…
The dynamics of many glassy systems are known to exhibit string-like hopping motions each consisting of a line of particles displacing one and other. By using molecular dynamics simulations of glassy polymers, we show that these motions…
Molecular Dynamics simulations of glycerol confined in $\gamma$-Al$_2$O$_3$ slit nanopores are used to explain controversial and inconsistent observations reported in the literature regarding the dynamics of viscous fluids in confined…
In this work we present a molecular dynamics investigation of thermal transport in a silica-gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which…
Magnetic composite materials i.e. elastomers, polymer gels, or polymer solutions with embedded magnetic nanoparticles are useful for many technical and bio-medical applications. However, the microscopic details of the coupling mechanisms…
We assess the relative importance of spatial congestion and lowered temperature in the slowing dynamics of supercooled glycerol near the glass transition. We independently vary both volume, V, and temperature, T, by applying high pressure…
The phase behaviour of a single large semiflexible polymer immersed in a suspension of spherical particles is studied. All interactions are simple excluded volume interactions and the diameter of the spherical particles is an order of…
The formation of drops of a complex fluid, for instance including dissolved polymers and/or solid particles, has practical implications in several industrial and biophysical processes. In this Letter, we experimentally investigate the…
Using molecular dynamics simulations, we study the slow dynamics of supercooled liquids confined in a random matrix of immobile obstacles. We study the dynamical crossover from glass-like to Lorentz-gas-like behavior in terms of the density…
While classical percolation is well understood, percolation effects in randomly packed or jammed structures are much less explored. Here we investigate both experimentally and theoretically the electrical percolation in a binary composite…
Soft matter materials and polymers are widely used in the controlled delivery of drugs. Simulation and modeling provide insight at the atomic scale enabling a level of control unavailable to experiments. We present a workflow protocol for…
Results on the dynamics of silica are presented: vibrations and relaxations. Using molecular dynamics, glass structures are generated by rapidly quenching melts below the glass transition. For the local minima of the structures the…
Polyvinyl-pyrrolidone (PVP) loaded with different fractions of dispersed nano-graphene platelets (NGP) were studied by Broadband Dielectric Spectroscopy in the frequency range from 1 mHz to 1 MHz. Complex permittivity and dynamic ac…
Dielectric spectroscopy measurements over a broad range of temperature and pressure were carried out on poly(oxybutylene) (POB), a type-A polymer (dielectrically-active normal mode). There are three dynamic processes appearing at lower…
We present a study of orientational relaxation dynamics in thin films of a low-molecular-weight glass-former as a function of temperature and film thickness. The relaxation is probed by second-harmonic generation after release of a poling…
We present a thorough characterization of the glassy dynamics of three propylene glycols (mono-, di- and trimer) by broadband dielectric spectroscopy. By covering a frequency range of more than 15 decades, we have access to the entire…
The relaxation dynamics of glass forming liquids and their structure are influenced in the vicinity of confining walls. In view of the great potential of this effect for applications in those fields of science and industry, where liquids…
Two models are presented to study the influence of slow dynamics on granular compaction. It is found in both cases that high values of packing fraction are achieved only by the slow relaxation of cooperative structures. Ongoing work to…
A novel theoretical expression for the relaxation time of magnetic nanoparticles with dipolar interactions is derived from Kramers' theory, extending the Boltzmann-Gibbs framework to incorporate Tsallis statistics. The model provides a…