Related papers: Aggregation of a macromolecule in a nano cube
For the first time, ordered polar molecules confined in monolayer-deep rectangular pits produced on an alkali halide surface by electron irradiation have been resolved at room temperature by non-contact atomic force microscopy. Molecules…
We show that macro-molecular self-assembly can recognize and classify high-dimensional patterns in the concentrations of $N$ distinct molecular species. Similar to associative neural networks, the recognition here leverages dynamical…
When Mg metal burns in air the resulting rock-salt MgO smoke consists of perfect [100] cubes of about 100 nm. On contrast, we found that intensification of self-burning of Mg micropowder either by injecting it into oxy-hydrogen diffusion…
The aim of this paper is to investigate the distribution of a continuous polymer in the presence of an attractive finitely supported potential. The most intricate behavior can be observed if we simultaneously and independently vary two…
Nanoparticles introduced in living cells are capable of strongly promoting the aggregation of peptides and proteins. We use here molecular dynamics simulations to characterise in detail the process by which nanoparticle surfaces catalyse…
Obtaining reliable estimates of the statistical properties of complex macromolecules by computer simulation is a task that requires high computational effort as well as the development of highly efficient simulation algorithms. We present…
A polymer-chain network is a collection of interconnected polymer-chains, made themselves of the repetition of a single pattern called a monomer. Our first main result establishes that, for a class of models for polymer-chain networks, the…
The density crossover scaling of various thermodynamic properties of solutions and melts of self-avoiding and highly flexible polymer chains without chain intersections confined to strictly two dimensions is investigated by means of…
Star polymers with magnetically functionalized end groups are presented as a novel polymeric system whose morphology, self-aggregation, and orientation can easily be tuned by exposing these macromolecules simultaneously to an external…
Fabrication of highly ordered and dense nanofibers assemblies is of key importance in designing high-performance and multi-functional materials. In this work, we design an experimental approach in silico, combining shear flow and solvent…
In this article, we review thermal transport in polymers with different morphologies from aligned fibers to bulk amorphous states. We survey early and recent efforts in engineering polymers with high thermal conductivity by fabricating…
Quantum mechanics predicts that massive particles exhibit wave-like behavior. Matterwave interferometry has been able to validate such predictions through ground-breaking experiments involving microscopic systems like atoms and molecules.…
Conformations of a single-component bottle-brush polymer with a fully flexible backbone under poor solvent conditions are studied by molecular-dynamics simulations, using a coarse-grained bead-spring model with side chains of up to N=40…
Charged (nano)particles confined in electrodynamic traps can evolve into strongly correlated Coulomb systems which are the subject of current investigation. Exciting physical phenomena associated to Coulomb systems are reported such as…
A new method based on the combination of small-anglescattering, reverse Monte Carlo simulations, and an aggregate recognition algorithm is proposed to characterize the structure of nanoparticle suspensions in solvents and polymer…
Aggregation and settling are crucial phenomena that involve particulate systems. For particle sizes of millimetre and above, there are reasonable accurate predicting tools. However for smaller particle sizes, there appears to be a void in…
Active particles locally transduce energy into motion, leading to unusual and emergent behaviors. However, current synthetic particles lack sensing and adaptation mechanisms. Here, we demonstrate a novel regulation pathway, through the…
Reduced dimensionality leads to emergent phenomena in quantum materials and there is a need for accelerated materials discovery of nanoscale quantum materials in reduced dimensions. Thermomechanical nanomolding is a rapid synthesis method…
The kinetics of the self-assembly of nanocomponents into a virus, nanocapsule, or other composite structure is analyzed via a multiscale approach. The objective is to achieve predictability and to preserve key atomic-scale features that…
Designable media can control properties of nanocomposite materials by spatially organizing nanoparticles. Here we theoretically study particle organization by ultrathin polymer films of grafted chains (``brushes''). Polymer-soluble…