相关论文: Influence of Shape on Heteroaggregation of Model M…
Spherical particles confined to a sphere surface cannot pack densely into a hexagonal lattice without defects. In this study, we use hard particle Monte Carlo simulations to determine the effects of continuously deformable shape anisotropy…
Cellular uptake of nanoplastics is instrumental in their environmental accumulation and transfer to humans through the food chain. Despite extensive studies using spherical plastic nanoparticles, the influence of the morphological…
In this article, we investigate the creep mechanism of clay at the nanoscale. We conduct the molecular dynamics (MD) modeling of clay samples consisting of hexagonal particles under compression and shear. The MD simulations include…
A simple three-dimensional model of a fluid whose constituent particles interact via a short range attractive and long range repulsive potential is used to model the aggregation into large spherical-like clusters made up of hundreds of…
We consider depletion effects of a pear-shaped colloidal particle in a hard-sphere solvent, for two different model realisations of the pear-shaped colloidal particle. The two models are the pear hard Gaussian overlap (PHGO) particles and…
The surface curvature of membranes, interfaces, and substrates plays a crucial role in shaping the self-assembly of particles adsorbed on these surfaces. However, little is known about the interplay between particle anisotropy and surface…
The equilibrium states of single-domain magnetite nanoparticles (NPs) result from a subtle interplay between size, geometry, and magnetocrystalline anisotropy. In this work, we present a micromagnetic study of shape-controlled magnetite NPs…
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…
The correlation between local structure and the propensity for structural rearrangements has been widely investigated in glass forming liquids and glasses. In this paper we use the excess two-body entropy $S_2$ and tetrahedrality $\n_{tet}$…
A method to couple interparticle contact models with Stokesian dynamics (SD) is introduced to simulate colloidal aggregates under flow conditions. The contact model mimics both the elastic and plastic behavior of the cohesive connections…
This is the second paper of a series of three investigating, by numerical means, the geometric and mechanical properties of spherical bead packings under isotropic stresses. We study the effects of varying the applied pressure P (from 1 or…
In this paper, the influence of aggregate size and volume fraction on shrinkage induced micro-cracking and permeability of concrete and mortar was investigated. Nonlinear finite element analyses of model concrete and mortar specimens were…
We employ a novel fluid-particle model to study the shearing behavior of granular soils under different saturation levels, ranging from the dry material via the capillary bridge regime to higher saturation levels with percolating clusters.…
Using Monte Carlo simulations, we investigate the self-assembly of model nanoparticles inside a matrix of model equilibrium polymers (or matrix of Wormlike micelles) as a function of the polymeric matrix density and the excluded volume…
Droplets confined in a microfluidic channel often exhibit intriguing shapes, primarily attributable to complex hydrodynamic interactions over small scales. We show that effect of varied substrate wettability conditions may further…
Large-scale structure projections are an obstacle in converting the shear signal of clusters detected in weak-lensing maps into virial masses. However, this step is not necessary for constraining cosmology with the shear-peak abundance, if…
The quantitative phase-field approach has been adapted to model solidification in the presence of Metal Matrix Nanocomposites (MMNCs) in a single-component liquid. Nanoparticles of fixed size and shape are represented by additional fields.…
We present a new model for the formation of spherically symmetric clusters in an expanding Universe. Both the Universe and the collapsing cluster are governed by the same pressure less fluid equations for which a uniform initial density…
We carry out three-dimensional Smoothed Particle Hydrodynamics simulations of spherical homogeneous SiO2 dust aggregates to investigate how the mass and the porosity of the aggregates affects their ability to survive an impact at various…
The structure and function of polymers in confined environments, e.g., biopolymers in the cytoplasm of a cell, are strongly affected by macromolecular crowding. To explore the influence of solvent quality on conformations of crowded…