Sharif Digital Repository

Finding the optimal flow pattern in bipolar plates of a proton exchange membrane is a crucial step for enhancing the performance of the device. This design plays a critical role in fluid mass transport through microporous layers, charge transfer through conductive media, management of the liquid water produced in microchannels, and microporous layers and heat management in fuel cells. This article investigates different types of common flow patterns in bipolar plates while considering a uniform pressure and velocity distribution as well as a uniform distribution of reactants through all the surfaces of the catalyst layer as the design criteria so that there would be a consistent electron... 

Due to significant reduction in fossil fuel sources, several researches have been conducted recently to explore modern sources of renewable energy. One of the major fields in the category of renewable energy harnessing devices is parabolic trough solar collector (PTC). Several parameters have effect on the overall efficiency of the PTCs. As the effect of these parameters is coupled to each other, a comprehensive investigation is necessary. In the present study, a numerical analysis is performed to examine the efficiency of PTCs via variation of several governing parameters (e.g., wind velocity magnitude, nanoparticles volume fraction, inlet temperature, and reflector's orientation). A... 

Obstruction of left anterior descending artery (LAD) due to the thrombosis or atherosclerotic plaques is the leading cause of death worldwide. Targeted delivery of drugs through micro- and nanoparticles is a very promising approach for developing new strategies in clot-busting or treating restenosis. In this work, we modelled the blood flow characteristics in a patient-specific reconstructed LAD artery by the fluid–solid interaction method and based on physiological boundary conditions. Next, we provided a Lagrangian description of micro- and nanoparticles dynamics in the blood flow considering their Brownian motion and the particle–particle interactions. Our results state that the number of... 

Interactions between P-selectin, expressed on activated endothelium, and its counterpart P-selectin glycoprotein ligand-1 (PSGL-1), expressed on leukocytes, play a pivotal role in adhesive events that recruit circulating leukocytes toward inflamed or injured tissues. Atomistic understanding of the association and dissociation of these bonds under blood flow is necessary to define the underlying mechanism. In this study, steered molecular dynamics (SMD) simulations were applied to investigate the conformational changes of P-LE/SGP-3 construct (an effective binding unit of the P-selectin/PSGL-1 complex) under stretching with constant velocity. In the present simulations, a self-built force... 

Nowadays, nanoparticles (NPs) are used in a variety of biomedical applications including brain disease diagnostics and subsequent treatments. Among the various types of NPs, magnetic nanoparticles (MNPs) have been implemented by many research groups for an array of life science applications. In this paper, we studied MNPs controlled delivery into the endothelial cells using a magnetic field. Dynamics equations of MNPs were defined in the continuous domain using control theory methods and were applied to crossing the cell membrane. This study, dedicated to clinical and biomedical research applications, offers a guideline for the generation of a magnetic field required for the delivery of... 

Nowadays, nanoparticles (NPs) are used in a variety of biomedical applications including brain disease diagnostics and subsequent treatments. Among the various types of NPs, magnetic nanoparticles (MNPs) have been implemented by many research groups for an array of life science applications. In this paper, we studied MNPs controlled delivery into the endothelial cells using a magnetic field. Dynamics equations of MNPs were defined in the continuous domain using control theory methods and were applied to crossing the cell membrane. This study, dedicated to clinical and biomedical research applications, offers a guideline for the generation of a magnetic field required for the delivery of... 

The main focus of this study is to address the possibility of using molecular dynamics (MD) simulation, as a computational framework, coupled with experimental assays, to optimize composite structures of a particular electrospun scaffold. To this aim, first, MD simulations were performed to obtain an initial theoretical insight into the capability of heterogeneous surfaces for protein adsorption. The surfaces were composed of six different blends of PVA (polyvinyl alcohol) and PCL (polycaprolactone) with completely unlike hydrophobicity. Next, MTT assay was performed on the electrospun scaffolds made from the same percentages of polymers as in MD models to gain an understanding of the... 

Stress sensitivity is a phenomenon that affects reservoir rock properties, such as permeability and therefore changes the well pressure transient behavior. This paper aims to study these behaviors in stress sensitive reservoirs and evaluate the pressure loss in such reservoirs during the process of hydrocarbon production. A power model is used to correlate the changes in permeability with pore pressure. A novel semi-implicit three-dimensional finite element method has been employed to numerically solve the flow problem. The numerical results have been validated by analytical results obtained in a non-sensitive reservoir. Pressure drawdown test for different scenarios has been studied. The... 

A sequential implicit numerical method based on discrete-fracture model and the Galerkin Finite Element method, for time-dependent coupled fluid flow and geomechanics problems in fractured subsurface formations is presented. Discrete-fracture model has been used to explicitly represent the fracture network inside porous media. The Galerkin Finite Element method with adaptive unstructured gridding is implemented to numerically solve the spatially three-dimensional and time-dependent problem. The presented method is validated with previously obtained solutions. Two problems are numerically solved by applying the presented methodology in a three-dimensional fractured petroleum reservoir under... 

This paper presents a three-dimensional micromechanical model of brain white matter tissue as a transversely isotropic soft composite described by the generalized Ogden hyperelastic model. The embedded element technique, with corrected stiffness redundancy in large deformations, was used for the embedment of a histology-informed probabilistic distribution of the axonal fibers in the extracellular matrix. The model was linked to a multi-objective, multi-parametric optimization algorithm, using the response surface methodology, for characterization of material properties of the axonal fibers and extracellular matrix in an inverse finite element analysis. The optimum hyperelastic... 

Parabolic trough solar collector (PTC) is one of the most mature and widely used type of solar energy harnessing devices. Therefore, investigation of the effect of various operational conditions on the overall efficiency of these devices has been topic of substantial interest in the recent decade. Moreover, utilization of nanoparticles as a useful additive to the working fluid should be examined thoroughly to optimize the collector's outputs. To do so, in the present study, energy and exergy efficiencies of a typical PTC as a function of several involving parameters are numerically calculated. These parameters are nanoparticle volume fraction (from 0 to 5 percent), environment wind speed... 

Recent advances in the field of microfabrication have made the application of high-throughput microfluidics feasible. Mixing which is an essential part of any miniaturized standalone system remains the key challenge. This paper proposes a geometrically simple micromixer for efficient mixing for high-throughput microfluidic devices. The proposed micromixer utilizes a curved microchannel (spiral microchannel) to induce chaotic advection and enhance the mixing process. It is shown that the spiral microchannel is more efficient in comparison to a straight microchannel, mixing wise. The pressure drop in the spiral microchannel is only slightly higher than that in the straight microchannel. It is... 

Obstruction of left anterior descending artery (LAD) due to the thrombosis or atherosclerotic plaques is the leading cause of death worldwide. Targeted delivery of drugs through micro- and nanoparticles is a very promising approach for developing new strategies in clot-busting or treating restenosis. In this work, we modelled the blood flow characteristics in a patient-specific reconstructed LAD artery by the fluid–solid interaction method and based on physiological boundary conditions. Next, we provided a Lagrangian description of micro- and nanoparticles dynamics in the blood flow considering their Brownian motion and the particle–particle interactions. Our results state that the number of... 

This paper aims to give a comprehensive atomistic modeling of the nanomechanical behavior of actin monomer. Actin is a ubiquitous and essential component of cytoskeleton which forms many different cellular structures. Despite for several years great effort has been devoted to the investigation of mechanical properties of the actin filament, studies on the nanomechanical behavior of actin monomer are still lacking. These scales are, however, important for a complete understanding of the role of actin as an important component in the cytoskeleton structure. Based on the accuracy of atomistic modeling methods such as molecular dynamics simulations, steered molecular dynamics method is performed... 

A transverse-plane hyperelastic micromechanical model of brain white matter tissue was developed using the embedded element technique (EET). The model consisted of a histology-informed probabilistic distribution of axonal fibers embedded within an extracellular matrix, both described using the generalized Ogden hyperelastic material model. A correcting method, based on the strain energy density function, was formulated to resolve the stiffness redundancy problem of the EET in large deformation regime. The model was then used to predict the homogenized tissue behavior and the associated localized responses of the axonal fibers under quasi-static, transverse, large deformations. Results... 

This paper presents a comprehensive 3D numerical simulation of reacting flows in micro scale dimension through centrifugal, or Lab-On-a-CD (LOCD), and pressure-driven, or Lab-On-a-Chip (LOC) devices. Three different serpentine channel configurations (rectangular, triangular and sinusoidal) are investigated. In these configurations, two chemical species enter from two inlets and according to an irreversible chemical reaction, start yielding other species. Both Newtonian and generalized Newtonian fluids are considered in the simulations and the results are compared for both LOC and LOCD devices. Besides, the effects of different parameters such as the aspect ratio of channels’ cross section,... 

Gene proliferation is vital for infectious and genetic diseases diagnosis from a blood sample, even before birth. In addition, DNA sequencing, genetic finger-print analyzing, and genetic mutation detecting can be mentioned as other procedures requiring gene reproduction. Polymerase chain reaction, briefly known as PCR, is a convenient and effective way to accomplish this task; where the DNA containing sample faces three temperature phases alternatively. These phases are known as denaturation, annealing, and elongation/extension which in this study -regarding the type of the primers and the target DNA sequence- are set to occur at 95, 58, and 72 degrees of Celsius. In this study, a PCR device... 

Miniaturized systems based on the principles of microfluidics are widely used in various fields, such as biochemical and biomedical applications. Systematic design processes are demanded the proper use of these microfluidic devices based on mathematical simulations. Aggregated proteins (e.g., inclusion bodies) in solution with chaotropic agents (such as urea) at high concentration in combination with reducing agents are denatured. Refolding methods to achieve the native proteins from inclusion bodies of recombinant protein relying on denaturant dilution or dialysis approaches for suppressing protein aggregation is very important in the industrial field. In this paper, a modeling approach is... 

This paper presents a compact and cost effective method for on-chip separation of silica-coated magnetic nanoparticles (SMNPs) with different hydrodynamic size. Three types of SMNPs (Fe3O4@SiO2) with the same magnetic core but with different thickness of silica shells were successfully separated using the developed microfluidic platform. The innovative aspect of the presented separation method is that the induced velocity on the three different types of SMNPs while imposed to the same magnetic field gradient in a static fluid is inversely proportional to their overall, non-magnetic volume. This is due to the enhanced Stokes’ drag force exerted on the nanoparticles (NPs) resulting from their... 

Zinc binding to β-amyloid structure could promote amyloid-β aggregation, as well as reactive oxygen species (ROS) production, as suggested in many experimental and theoretical studies. Therefore, the introduction of multifunctional drugs capable of chelating zinc metal ion and inhibiting Aβ aggregation is a promising strategy in the development of AD treatment. The present study has evaluated the efficacy of a new bifunctional peptide drug using molecular docking and molecular dynamics (MD) simulations. This drug comprises two different domains, an inhibitor domain, obtained from the C-terminal hydrophobic region of Aβ, and a Zn2+ chelating domain, derived from rapeseed meal, merge with a...