Crack formation is a frequent result of residual stress release from colloidal films made by the evaporation of colloidal droplets containing nanoparticles. Crack prevention is a significant task in industrial applications such as painting and inkjet printing with colloidal nanoparticles. Here, we illustrate how colloidal drops evaporate and how crack generation is dependent on the particle siz...

The structure of solvent-free oligomer-grafted nanoparticles has been investigated using molecular dynamics simulations and density-functional theory. At low temperatures and moderate to high oligomer lengths, the qualitative features of the core particle pair probability, structure factor, and the oligomer brush configuration obtained from the simulations can be explained by a density-function...

We present molecular dynamics simulations coupled with a dissipative particle dynamics thermostat to model and simulate the behavior of symmetric diblock copolymer/nanoparticle systems under simple shear flow. We consider two categories of nanoparticles, one with selective interactions toward one of the blocks of a model diblock copolymer and the other with nonselective interactions with both b...

The aggregation and dispersion of two anisotropic nanoparticles (NPs), cubes and tetrahedrons, in a polymer matrix are studied in this work using coarse-grained molecular dynamics simulations. We present the phase diagrams of NP-polymer composites, depicting microscopically phase-separated, dispersed, and bridged cubes and tetrahedrons in a polymer matrix, which depend on the interaction betwee...

The critical path approximation ('CPA') is integrated with a lattice-based approach to percolation to provide a model for conductivity in nanofiber-based composites. Our treatment incorporates a recent estimate for the anisotropy in tunneling-based conductance as a function of the relative angle between the axes of elongated nanoparticles. The conductivity is examined as a function of the volum...

Thermal characteristics of turbulent nanofluid flow in a rectangular pipe have been investigated numerically. The continuity, momentum, and energy equations were solved by means of a finite volume method (FVM). The symmetrical rectangular channel is heated at the top and bottom at a constant heat flux while the sides walls are insulated. Four different types of nanoparticles Al2O3, ZnO, CuO, an...

Nano-suspensions (NS) exhibit unusual thermophysical behaviors once interparticle aggregations and the shear flows are imposed, which occur ubiquitously in applications but remain poorly understood, because existing theories have not paid these attentions but focused mainly on stationary NS. Here we report the critical role of time-dependent fractal aggregation in the unsteady thermal convectio...

By setting up a coarse-grained model of polymer nanocomposites, we monitored the change in the elastic modulus as a function of the strain, derived from the stress-strain behavior by determining uniaxial tension and simple shear of two typical spatial distribution states (aggregation and dispersion) of nanoparticles (NPs). In both these cases, we observed that the elastic modulus decreases non-...

A series of 0-3 metal oxide-polyolefin nanocomposites are synthesized via in situ olefin polymerization, using the following single-site metallocene catalysts:C2-symmetric dichloro[rac-ethylenebisindenyl]zirconium(IV),Me2Si( BuN)(η-C5Me4)TiCl2, and (η -C5Me5)TiCl3 immobilized onmethylaluminoxane (MAO)-treated BaTiO3, ZrO2, 3-mol%-yttria-stabilized zirconia, 8-mol%-yttria-stabilized zirconia, sp...

The present study explores the parametric investigation of a heat sink filled with composite pure phase change material (PCM), nanocomposite (NCPCM), metal-foam (MF) by employing numerical approach for effective passive thermal management electronics. combinations are varied filling PCM, NCPCM, MF+PCM and NCPCM+MF. Different parameters such as MF materials, porosities, pore densities (PPI-pores...