Sharif Digital Repository

The high computational costs of atomistic simulations for the investigation of nanostructures, despite their accuracy, necessitate efforts to develop efficient continuum models. Since the classical continuum mechanics assume the matter as continuous and ignore the size dependency of material properties, these theories fail to capture the behavior of materials at the nanoscale. Size-dependencies of nanostructures could result in the emergence of surface effects. This paper, for the first time, aims to develop and tune surface-enhanced continuum models to predict the vibrational properties of nanoplates which are inherently discrete at the nanoscale. Regarding this aim, we use a composite... 

The type of passivating ligands and the ligand exchange method influence the quality of lead sulfide quantum dot films. This imparts on the efficiency of optoelectronic devices. To get a compact arrangement of the nanocrystals in a thin film (⁓100 nm) via self-assembling, we used organic-inorganic perovskites with mixed halides for the solid-state exchange of oleic acid ligands on PbS QDs (⁓ 4 nm). Formamidinium lead halides FAPbIxBr3-x (x= 3,2,1,0) were used. X-ray spectroscopy shows that successful replacement of oleic acid with FA happens by short immersion of the films (2 min) in the solution. Transmission electron microscopy shows that nano-scale cracks, short-range ordering, and fusion... 

In the last decade, there has been a swift development in several scientific research works in which the quartz crystal microbalance (QCM) technique has played a critical role in unravelling different aspects of energy and environmental materials and biological substances as well as all corresponding molecular interactions within those media. We comprehensively review the numerous types of surface chemistries, including but not limited to hydrogen bonding, hydrophobic and electrostatic interactions, self-assembled monolayers and ionic bonding, that are monitored using QCMs in a variety of fields such as energy and chemical industries in addition to the biology, medicine and nanotechnology... 

The main purpose of this paper is modeling and simulation of in-situ releasing of smart nano-sized core-shell particles at the water-oil interface during polymer flooding. During the polymer flooding process, when these nano-particles reach the water-oil interface, migrate to the oil phase and the hydrophobic layer of them dissolves in this phase. After dissolution of this protective nano-sized layer, the hydrophilic core containing a water-soluble ultra high molecular weight polymer diffuses back into the water phase and with dissolving in this phase, dramatically increases viscosity of flooding water in the neighborhood of the water-oil interface. In this study, two different... 

In the current research, a cost-effective and modified method with a high degree of reproducibility was proposed for the preparation of fine nanoscale and high-purity BaTiO3. In contrast to the other established methods, in this research, carbonate-free BaTiO3 nanopowders were prepared at a lower temperature and in a shorter time span. To reach an in-depth understanding of the scientific basis of the proposed process, an in-detail analysis was carried out for characterization of nanoscale BaTiO3 particles via differential thermal analysis (DTA)/thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and... 

In this paper, the so-called small time-step instability in finite element simulation of the fluid part is considered in fluid-structure interaction (FSI) problems in which a high-frequency vibrating structure interacts with an incompressible fluid. Such a situation is common in many microfluid manipulating devices. A treatment has been proposed that uses the dimensionless set of FSI governing equations in order to scale up the problem time step to a proper level that precludes the potential small time-step instability. Two-dimensional and three-dimensional finite element simulations of a mechanical micropumping device are performed to verify the efficiency of the presented approach. Solid... 

Electrostatically actuated beams are fundamental blocks of many different nano and micro electromechanical devices. Accurate design of these devices strongly relies on recognition of static and dynamic behavior and response of mechanical components. Taking into account the effect of internal forces between material particles nonlocal theories become highly important. In this paper nonlinear vibration of a microano doubly clamped and cantilever beam under electric force is investigated using nonlocal continuum mechanics theory. Implementing differential form of nonlocal constitutive equation the nonlinear partial differential equation of motion is reformulated. The equation of motion is... 

A modified plastic yield function is proposed to predict the consolidation behavior of nanostructured metal powders and metal-matrix nanocomposite powders under uniaxial compaction. The validity of the model is verified for nanocrystalline Al6063 (~100nm) alloy reinforced without and with 0.8vol.% Al2O3 nanoparticles (~25nm). The plastic deformation propensity of these powders is analyzed by linear compaction equations. The yield stress of the powder compacts is shown to be influenced by the nano-scale grains and the reinforcement nanoparticles  

There are many works on annealing process of SPDed bulk metals but there are limited works on annealing process of SPDed sheets. Therefore, in this study the annealing response after constrained groove pressing (CGP) of low carbon steel sheets has been investigated. These sheets are subjected to severe plastic deformation at room temperature by CGP method up to three passes. Nano-structured low carbon steel sheets produced by severe plastic deformation are annealed at temperature range of 100 to 600 °C for 20 min. The microstructural changes after deformation and annealing are studied by optical microscopy. The effects of CGP strain and annealing temperature on microstructure, strength and... 

Nanoscale Shielded channel transistors are investigated by solving the two-dimensional Poisson equation self-consistently with ballistic quantum transport equations for first time. We present self-consistent solutions of ultrathin body device structures to investigate the effect of electrically shielded channel region which impose charge controlling in the channel region on the characteristics of nanoscale DG-MOSFET. The simulation method is based on Nonequlibrium Green's Function (NEGF). Starting from a basic structure with a gate length of 10 nm, the effect of gate length variation on the performance of the device has been investigated. © 2007 IEEE  

In this paper the electrical characteristics of a novel nanoscale double-gate MOSFET (DG-MOSFET) have been investigate by a full Quantum Mechanical simulation framework. This framework consists of Non-Equilibrium Green's Function (NEGF) solved self-consistently with Poisson's Equation. Quantum transport equations are solved in two-dimension (2-D) by recursive NEGF method in active area of the device to obtain the charge density and Poisson's equation is solved in entire domain of simulation to get potential profile. Once self-consistently achieved all parameters of interest (e.g. potential profile, charge density, DIBL, etc) can be measured. In this novel DG-MOSFET structure, a front gate... 

Dopamine is one of the most important neurotransmitters released by neurons in the central nervous system, and a variety of neurological illnesses and mental disorders are associated with impairments in the secretion and functionality of dopamine. Dopamine, depending on the type of receptors, can act as a stimulant or an inhibitor. In this study, dendrimer-conjugated dopamine was utilized as a chelating agent for Technetium-99m to investigate the organ distribution of this compound in vivo using the single-photon emission computed tomography (SPECT) technique. For this purpose, dendrimers were synthesized using polyethylene glycol diacid and citric acid precursors, and dopamine was... 

Engineered nanoparticles are increasingly being considered for use as biosensors, imaging agents and drug delivery vehicles. Their versatility in design and applications make them an attractive proposition for new biological and biomedical approaches. Despite the remarkable speed of development in nanoscience, relatively little is known about the interaction of nanoscale objects with living systems. In a biological fluid, proteins associate with nanoparticles, and the amount and the presentation of the proteins on their surface could lead to a different in vivo response than an uncoated particle. Here, in addition to protein adsorption, we are going to introduce concept of cell "vision",... 

The field-emission properties of molybdenum oxide nanowires grown on a silicon substrate and its emission performance in various vacuum gaps are reported in this article. A new kind of molybdenum oxides named nanowires with nanoscale protrusions on their surfaces were grown by thermal vapor deposition with a length of ~1 μm and an average diameter of ~50 nm. The morphology, structure, composition and chemical states of the prepared nanostructures were characterized by scanning electron microscopy (SEM), high-resolution transmission electron microscopy (HRTEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). According to XRD, XPS, and TEM analyses, the synthesized samples... 

The simultaneous oxidation performance of benzene, toluene, ethylbenzene, and xylene (BTEX) by nanoscale calcium peroxide particles (nCaO2) activated with ferric ions (Fe(III)) and the mechanism of the enhancement of BTEX degradation by L-cysteine (L-cys) were investigated. The batch experimental results showed that the nCaO2/Fe(III)/L-cys process was effective in the destruction of BTEX in both ultrapure water and actual groundwater. A proper amount of L-cys could enhance BTEX degradation due to the promotion of Fe(II)/Fe(III) redox cycles by the participation of L-cys, but an excessive presence of L-cys would cause inhibition. Adding 1.0 mM L-cys to the nCaO2/Fe(III) system, the... 

We have used a hierarchical multiscale modeling scheme for the analysis of cortical bone considering it as a nanocomposite. This scheme consists of definition of two boundary value problems, one for macroscale, and another for microscale. The coupling between these scales is done by using the homogenization technique. At every material point in which the constitutive model is needed, a microscale boundary value problem is defined using a macroscopic kinematical quantity and solved. Using the described scheme, we have studied elastic properties of cortical bone considering its nanoscale microstructural constituents with various mineral volume fractions. Since the microstructure of bone... 

The delivery of growth factors is often challenging due to their short half-life, low stability, and rapid deactivation. In native tissues, the sulfated residual of glycosaminoglycan (GAG) polymer chains of proteoglycans immobilizes growth factors through the proteoglycans'/proteins' complexation with nanoscale organization. These biological assemblies can influence growth factor-cell surface receptor interactions, cell differentiation, cell-cell signaling, and mechanical properties of the tissues. Here, we introduce a facile procedure to prepare novel biomimetic proteoglycan nanocarriers, based on naturally derived polymers, for the immobilization and controlled release of growth factors....