Related papers: Length scale of dynamic heterogeneity in polymer n…
We employ a multiscale approach to model the translocation of biopolymers through nanometer size pores. Our computational scheme combines microscopic Langevin molecular dynamics (MD) with a mesoscopic lattice Boltzmann (LB) method for the…
The atomic distribution in amorphous FeZr alloys is found to be close to random, nevertheless, the composition can not be viewed as being homogenous at the nm-scale. The spatial variation of the local composition is identified as the root…
We investigate the emergence of isotropic linear elasticity in amorphous and polycrystalline solids, via extensive numerical simulations. We show that the elastic properties are correlated over a finite length scale $\xi_E$, so that the…
In random heteropolymer globules with short-range interactions between the monomers, freezing takes place at the microscopic length scale only, and can be described by a 1-step replica symmetry breaking. The fact that the long-range Coulomb…
Stress relaxation following deformation of an entangled polymeric liquid is thought to be affected by transient reforming of chain entanglements. In this work, we use single molecule techniques to study the relaxation of individual polymers…
The performance of gold nanoparticles (NPs) in applications depends critically on the structure of the NP-solvent interface, at which the electrostatic surface polarization is one of the key characteristics that affects hydration, ionic…
In this feature article, we provide an overview of our research on statistical copolymers as a coating material for metal oxide nanoparticles and surfaces. These copolymers contain functional groups enabling non-covalent binding to oxide…
Co-assembly of inorganic nanoparticles (NPs) and nanostructured polymer matrix represents an intricate interplay of enthalpic or entropic forces. Particle size largely affects the phase behavior of the nanocomposite. Theoretical studies…
We investigate the dynamics of nanoscale droplets in the vicinity of chemical steps which separate parts of a substrate with different wettabilities. Due to long-ranged dispersion forces, nanodroplets positioned on one side of the step…
In this study, the use of X-Ray reflectometry technique signifies the types of rough and smooth surfaces of hematite film prepared from different fatty acid derivatives of the iron salt. Followed by this, the film morphology and…
We discuss how simulations of mechanical properties of materials require descriptions at many different length scales --- from the nanoscale where an atomic description is appropriate, through a mesoscale where dislocation based…
Spin glasses are magnetic materials exhibiting numerous magnetization patterns, that randomly vary both in real space and in time. To date, it is still not well understood what the nature of these spatiotemporal dynamics is, namely if they…
The heterogeneous character of the Johari-Goldstein (JG) relaxation is evidenced by molecular-dynamics simulation of a model polymer system. A double-peaked evolution of dynamic heterogeneity (DH), with maxima located at JG and structural…
The dynamics of a heteropolymer chain in solution is studied in the limit of long chain length. Using functional integral representation we derive an effective equation of motion, in which the heterogeneity of the chain manifests itself as…
Nanostructured surfaces usually exhibit complicated morphologies that cannot be described in terms of Euclidean geometry. Simultaneously, they do not constitute fully random noise fields to be characterized by simple stochastics and…
Polymer thin films exhibit pronounced interfacial mobility gradients that modify chain relaxation, yet how these gradients govern chain-scale dynamics across depth remains incompletely understood. Using molecular dynamics simulations of…
Polymer nanocomposite materials based on metallic nanowires are widely investigated as transparent and flexible electrodes or as stretchable conductors and dielectrics for biosensing. Here we show that Scanning Dielectric Microscopy (SDM)…
We use a coarse-grained molecular dynamics model to study the electrophoretic behaviour of flexible polyelectrolyte chains. We first characterize the static properties of the model with respect to the chain length, the polyelectrolyte…
Polymersomes, vesicles self-assembled from amphiphilic polymers, are promising nanocarriers for the targeted intracellular delivery of therapeutics. Integrating inorganic light-absorbing materials with plasmonic properties, such as gold,…
We develop a scaling theory to describe dynamic fluctuations of a semiflexible polymer and find several distinct regimes. We performed simulations to characterize the longitudinal and transverse dynamics; using ensemble averaging for a…