Samaneh Farokhirad

New Jersey Institute of Technology | NJIT · Department of Mechanical & Industrial Engineering

Geometric and physical parameters are essential factors in determining the hydrodynamic nature of droplet coalescence that is encountered in many practical multiphase flow applications. Computational analysis has been performed to investigate such parametric influence on the coalescence of a pair of initially spherical droplets subjected to a confi...

Flexible Polymeric Nanoparticles In article number 2101290, Samaneh Farokhirad, Ravi Radhakrishnan, and co-workers explore the biophysical principles behind the effect of shape, chemistry, and flexibility of nanoparticles on multivalent ligand–receptor-mediated avidity and cellular uptake. The findings help establish rational design principles that...

The hydrodynamic collision between droplet pairs dispersed in another continuous fluid matrix is critical to diverse engineering and real-life applications. Simulating such phenomena is more challenging due to the impact of small-scale interactions that determine large-scale behavior. We investigate the effect of density ratios (60 to 800), viscosi...

How nanoparticle (NP) mechanical properties impact multivalent ligand–receptor-mediated binding to cell surfaces, the avidity, propensity for internalization, and effects due to crowding remains unknown or unquantified. Through computational analyses, the effects of NP composition from soft, deformable NPs to rigid spheres, effect of tethers, the c...

Physicochemical characteristics of nanoparticles (NPs) can be engineered for tuning their biological function in cellular delivery. How NP mechanical properties impact multivalent ligand-receptor mediated binding to cell surfaces, the avidity of NP adhesion to cells, propensity for internalization, and effects due to crowding remain unknown or unqu...

We present a quantitative model for multivalent binding of ligand-coated flexible polymeric nanoparticles (NPs) to a flexible membrane expressing receptors. The model is developed using a multiscale computational framework by coupling a continuum field model for the cell membrane with a coarse-grained model for the polymeric NPs. The NP is modeled...

We report computational investigations of deformable polymeric nanoparticles (NPs) under colloidal suspension flow and adhesive environment. We employ a coarse-grained model for the polymeric NP and perform Brownian dynamics (BD) simulations with hydrodynamic interactions and in the presence of wall-confinement, particulate margination, and wall-ad...

Describing the hydrodynamics of nanoparticles in fluid media poses interesting challenges due to the coupling between the Brownian and hydrodynamic forces at the nanoscale. We focus on multiscale formulations of Brownian motion and hydrodynamic interactions (HI) of a single flexible polymeric nanoparticle in confining flows using the Brownian Dynam...

The coalescence-induced jumping of liquid droplets on superhydrophobic structured substrates is investigated numerically using a three-dimensional multiphase lattice Boltzmann method. The numerical experiments on evolution of droplets during jumping process show higher jumping velocity and height from superhydrophobic substrates structured with a p...

Nanoparticles submerged in confined flow fields occur in several technological applications involving heat and mass transfer in nanoscale systems. Describing the transport with nanoparticles in confined flows poses additional challenges due to the coupling between the thermal effects and fluid forces. Here, we focus on the relevant literature relat...

We present three-dimensional numerical simulations, employing a lattice Boltzmann method for three-phase system of liquid, gas, and solid, and investigate the influence of a solid particle on the dynamic and departure of a droplet after coalescence on superhydrophobic substrates. A particle can be removed autonomously by the jumping motion of the d...

In this chapter, we discuss the implementation of several computational techniques that are commonly employed to simulate interactions between biomaterials and cellular systems. These methods include molecular dynamics, biopolymer, and homology modeling, which focus on the atomic structure of biomaterials, electronic structure methods, and free-ene...

The coalescence-induced jumping of liquid droplets on superhydrophobic structured substrates is investigated numerically using a three-dimensional multiphase lattice Boltzmann method. The numerical experiments on evolution of droplets during jumping process show higher jumping velocity and height from superhydrophobic substrates structured with a p...

The problem of coalescence-induced self-propelled jumping of droplet is studied using three-dimensional numerical simulation. The focus is on the effect of inertia and in particular the effect of air density on the behavior of the merged droplet during jumping. A lattice Boltzmann method is used for two identical, static micro-droplets coalescing o...

The impact of microscopic liquid drops on solids with a variety of surface characteristics is studied using numerical simulations. The focus is on relatively low impact velocities leading to bouncing or spreading drops, and the effects of wettability. Molecular dynamics and lattice Boltzmann simulation methods are used for nanometer-sized and conti...

The impact of nanometer-sized drops on solid surfaces is studied by molecular dynamics computer simulations. Volatile and non-volatile drops of pure liquid, surfactant solutions, and "liquid marble" drops consisting of particulate suspensions are considered. The simulation protocol is to equilibrate a drop made of short chains of Lennard-Jones atom...

Lattice Boltzmann simulations based on the Cahn-Hilliard diffuse interface approach are performed for droplet dynamics in viscous fluid under shear flow, where the degree of confinement between two parallel walls can play an important role. The effects of viscosity ratio, capillary number, Reynolds number, and confinement ratio on droplet deformati...

In this paper, the fluid flow and heat transfer characteristics of two-dimensional micro/nanochannel flows are examined. The Direct Simulation Monte Carlo (DSMC) method for molecular gas dynamics is utilized to simulate the gas flows through two-dimensional micro/nanochannel. The collision process has been treated in a statistical way using the no-...