相关论文: Single-Chain Nanoparticles under Homogeneous Shear…
Nanoparticles with "sticky patches" have long been proposed as building blocks for the self-assembly of complex structures. The synthetic realizability of such patchy particles, however, greatly lags behind predictions of patterns they…
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…
We present a new simulation technique to study systems of polymers functionalized by reactive sites that bind/unbind forming reversible linkages. Functionalized polymers feature self-assembly and responsive properties that are unmatched by…
Thermophoresis is an effective method to drive the motion of nanoparticles in fluids. The transport of nanoparticles in polymer networks has significant fundamental and applied importance in biology and medicine, and can be described as…
Tightly packed granular particles under shear often exhibit intriguing intermittencies, specifically, sudden stress drops that we refer to as quaking. To probe the nature of this phenomenon, we prototype a circular shear cell that is…
Microswimmers play an important role in shaping the world around us. The squirmer is a simple model for microswimmer whose cilia oscillations on its spherical surface induce an effective slip velocity to propel itself. The rapid development…
A cell dynamics method for domain separation of diblock copolymers (DBCPs) interacting with nanoparticles (NPs) whose diffusion coefficients depend on chain configuration is proposed for self-assembly of DBCP/NP composites. Increasing NP…
Large-scale molecular dynamics simulations are used to simulate a layer of nanoparticles diffusing on the surface of a liquid. Both a low viscosity liquid, represented by Lennard-Jones monomers, and a high viscosity liquid, represented by…
Recent simulations have studied the formation of patterns in a binary mixture of immiscible surfactants absorbed onto the surface of a spherical nanoparticle. The resulting patterns (Janus, spots and stripes) were in good agreement with…
Single-molecule pulling techniques have emerged as versatile tools for probing the noncovalent forces holding together the secondary and tertiary structure of macromolecules. They also constitute a way to study at the single-molecule level…
Using extensive non-equilibrium molecular dynamics simulations, we investigate a glassforming binary Lennard-Jones mixture under shear. Both supercooled liquids and glasses are considered. Our focus is on the characterization of…
Simple shear flow can induce flow-aligned chain formation of particles suspended in viscoelastic fluids. Although this phenomenon has been reported for decades, direct {\it in situ} measurements of the alignment dynamics and particle…
We model and study the patterns created through the interaction of collectively moving self-propelled particles (SPPs) and elastically tethered obstacles. Simulations of an individual-based model reveal at least three distinct large-scale…
Supercrystalline nanocomposites (SCNCs) are inorganic-organic hybrid materials with a unique periodic nanostructure, and as such they have been gaining growing attention for their intriguing functional properties and parallelisms with…
Molecular dynamics simulations are used to study the behavior of closely-fitting spherical and ellipsoidal particles moving through a fluid-filled cylinder at nanometer scales. The particle, the cylinder wall and the fluid solvent are all…
The term single file (SF) dynamics refers to the motion of an assembly of particles through a channel with cross-section comparable to the particles' diameter. Single file diffusion (SFD) is then the diffusion of a tagged particle in a…
Lanthanide nanoparticles (LnNPs) feature sharp emission lines together with millisecond emission lifetimes which makes them promising luminescent probes for biosensing and bioimaging. Although LnNPs are gathering a large interest, their…
We study direct and inverse scattering problem for systems of interacting particles, having web-like structure. Such systems consist of a finite number of semi-infinite chains attached to the central part formed by a finite number of…
Nanopore sensing is a versatile technique for the analysis of molecules on the single-molecule level. However, extracting information from data with established algorithms usually requires time-consuming checks by an experienced researcher…
Polymer nanocomposites (PNCs) offer a broad range of thermophysical properties that are linked to their compositions. However, it is challenging to establish a universal composition-property relation of PNCs due to their enormous…