相关论文: Impact of Rigidity on Molecular Self-Assembly
Colloidal particles suspended in liquid crystals can exhibit various effective anisotropic interactions that can be tuned and utilized in self-assembly processes. We simulate a two-dimensional system of hard disks suspended in a solution of…
Rigid bodies, made of smaller composite beads, are commonly used to simulate anisotropic particles with molecular dynamics or Monte Carlo methods. To accurately represent the particle shape and to obtain smooth and realistic effective pair…
Subcomponent millicharged dark matter that cools baryons via Coulomb interactions has been invoked to explain the EDGES anomaly. However, this model is in severe tension with constraints from cosmology and stellar emissions. In this work,…
The efficient and controlled assembly of complex structures from macromolecular building blocks is a critical open question in both biological systems and nanoscience. Using molecular dynamics simulations we study the self-assembly of…
We discuss a microscopic scheme to compute the rigidity of glasses or the plateau modulus of supercooled liquids by twisting replicated liquids. We first summarize the method in the case of harmonic glasses with analytic potentials. Then we…
The interaction between macroscopic fluid flow and nanoscale forces has resulted in the formation of long-range assemblies through evaporation-induced self-assembly. Anisotropic gold nanorods (AuNR) can form disordered, smectic, or…
Using collision driven discrete molecular dynamics (DMD), we investigate the thermodynamics and dynamics of systems of 500 dumbbell molecules interacting by a purely repulsive ramp-like discretized potential, consisting of $n$ steps of…
We investigate the dielectrophoretic motion of charge-neutral, polarizable nanocolloids through molecular dynamics simulations. Comparison to analytical results derived for continuum systems shows that the discrete charge distributions on…
The theory of elastic interaction of micron size axially symmetric colloidal particles immersed into confined nematic liquid crystal has been proposed. General formulas are obtained for the self energy of one colloidal particle and…
A coarse-grained computational model is used to investigate the effect of a fluid membrane on patchy-particle assembly into biologically-relevant structures motivated by viral cores and clathrin. For cores, we demonstrate a non-monotonic…
Self-assembly is one of the crucial mechanisms allowing to design multifunctional materials. Soft hybrid materials contain components of different nature and exhibit competitive interactions which drive self-organisation into structures of…
We employ computer simulations to unveil the translational and rotational dynamics of the self-driven chemically symmetric and asymmetric rigid dumbbells in two-dimensional polymer gel. Our results show that activity or the self-propulsion…
Due to its non-crystalline nature, the glassy state has remained one the most exciting scientific challenges. To study such materials, Molecular Dynamics (MD) simulations have been extensively used because they provide a direct view into…
Crystallization through vapor deposition is ubiquitous, and is inevitably influenced by impurities, which often impact the local structure. Interestingly, the effect of immobilizing some of the depositing particles themselves, which would…
The assembly of colloids in nematic liquid crystals via topological defects has been extensively studied for spherical particles, and investigations of other colloid shapes have revealed a wide array of new assembly behaviors. We show,…
Colloidal particles, amphiphiles, and functionalized nanoparticles are examples of systems that frequently exhibit short-range attractions coupled with long-range repulsions. In this work, we observe striking differences in the dynamics of…
Many structural properties of conventional passive materials are known to arise from the symmetries of their microscopic constituents. By contrast, it is largely unclear how the interplay between cell shape and self-propulsion controls the…
We have studied structure formation in a confined block copolymer melt by means of dynamic density functional theory (DDFT). The confinement is two-dimensional, and the confined geometry is that of a cylindrical nanopore. Although the…
Although wettability is a macroscopic manifestation of molecular-level forces, such as van der Waals (vdW) forces, the impact of nanoconfinement on material properties in reduced film thickness remains unexplored in predicting film…
Spherical microparticles dispersed in nematic liquid crystals have been extensively investigated in the past years. Here, we report experimental studies on the elastic deformation, colloidal interaction and self-assembly of hematite…