Sharif Digital Repository

This work aims to investigate the structure-property relationship in ternary nanocomposites consisting of polypropylene as the matrix, nanoclay as the reinforcement and polyamide 6 as the intermediate phase. In this regard, composites of polypropylene/organoclay, polyamide/organoclay, blends of polypropylene/polyamide, and ternary nanocomposites of polypropylene/polyamide/layered silicate with and without compatibilizer were produced via melt compounding. Nanostructure was investigated by wide-angle X-ray diffraction and transmission electron microscopy. Scanning electron microscopy was employed to study the microstructure. Modulus of elasticity and yield strength were measured by uniaxial... 

In recent years, structures integrated with magnetorheological (MR) fluid have been considered for their tunable dynamic characteristics. Shear modulus of MR layer in composite structure is dramatically lower than the elastic layers, leading to high shear deformation inside the MR layer, thus classical theories are not accurate enough to predict the dynamic behavior of such structures. In present study a layerwise displacement theory has been utilized to predict a more accurate deformation for MR-composite beam and equation of motions derived using finite element model (FEM). ASTM E756-98 was employed to evaluate the complex shear modulus of MR fluid. By experimental test a practical... 

In the present work, graphene oxide (GO) and reduced graphene oxide (RGO) were incorporated at low-density polyethylene (LDPE)/ethylene vinyl acetate (EVA) copolymer blend using solution casting method. Monolayer GO with 1-nm thickness and good transparency was synthesized using the well-known Hummers's method. Fourier transform infrared and X-ray photoelectron spectroscopy data exhibited efficient reduction of GO with almost high C/O ratio of RGO. Scanning electron microscopy showed the well distribution of GO and RGO within LDPE/EVA polymer matrix. The integrating effects of GO and RGO on mechanical and gas permeability of prepared films were examined. Young's modulus of nanocomposites are... 

Using the Martin-Siggia-Rose method, we study propagation of acoustic waves in strongly heterogeneous media which are characterized by a broad distribution of the elastic constants. Gaussian-white distributed elastic constants, as well as those with long-range correlations with nondecaying power-law correlation functions, are considered. The study is motivated in part by a recent discovery that the elastic moduli of rock at large length scales may be characterized by long-range power-law correlation functions. Depending on the disorder, the renormalization group (RG) flows exhibit a transition to localized regime in any dimension. We have numerically checked the RG results using the... 

In this paper, size-dependent vibration analysis of axially functionally graded (AFG) supported nanotubes conveying nanoflow under longitudinal magnetic fields are performed, aiming at performance improvement of fluid-interaction nanosystems. Either the density or the elastic modulus of the AFG nanotube varies linearly or exponentially along the axial direction. Based on the nonlocal continuum theory, the higher-order dynamical equation of motion of the system is derived considering no-slip boundary condition. Galerkin discretization technique and eigenvalue analysis are implemented to solve the modeled equation. The validity of the simplified model is justified by comparing the results with... 

In this paper, size-dependent vibration analysis of axially functionally graded (AFG) supported nanotubes conveying nanoflow under longitudinal magnetic fields are performed, aiming at performance improvement of fluid-interaction nanosystems. Either the density or the elastic modulus of the AFG nanotube varies linearly or exponentially along the axial direction. Based on the nonlocal continuum theory, the higher-order dynamical equation of motion of the system is derived considering no-slip boundary condition. Galerkin discretization technique and eigenvalue analysis are implemented to solve the modeled equation. The validity of the simplified model is justified by comparing the results with... 

Progress in tissue engineering and regenerative medicine necessitates the use of novel materials with promising bio-surface for biomedical applications. In this work, TixNy thin films are applied on biological TC4 substrates in a mixed atmosphere of Ar and N2 via magnetron sputtering system for the protection of TC4 alloy. The effects of N/Ti ratio on the phase structure, growth orientation, contact angle, and the mechanical and corrosion performances of thin films are discussed by implementation of composition-microstructure-property interrelationships. The phase structure of TixNy thin films is changed from amorphous-like to single phase Ti2N structure with increasing N/Ti ratio. In the... 

MXenes have recently witnessed significant evolution and advances in terms of their applications in different areas such as flexible electronics, energy storage devices, and coatings. Here, the mechanical properties of both pristine and functionalized Tin+1CnO2 and Tin+1NnO2 (n = 1, 2) are investigated utilizing classical molecular dynamics simulations. For eight different MXene structures, the stress-strain curves are calculated including Young's modulus, strength, and fracture strain. It is found that Ti2N holds the highest Young's modulus with the value of 517 GPa while Ti3C2 has the lowest one with the amount of 133 GPa. In addition, the strongest MXene structure is Ti2N while the... 

In this paper, the molecular structural mechanics method is employed to calculate the mechanical properties of a double-layered carbon graphene sheet more accurately. For this purpose, covalent bonds are modeled using nonlinear beam elements and van der Waals interactions are replaced by nonlinear truss elements. Morse potential and Lennard-Jones potential equations are used to simulate the covalent bonds and van der Waals interactions, respectively. For each atom, van der Waals forces are considered with respect to all the other atoms located in its cut-off radius. In addition to in-plane mechanical properties of single and double-layered graphene sheets some out-of-plane properties like... 

In addition to its biological importance, DPhPC lipid bilayers are widely used in droplet bilayers, study of integral membrane proteins, drug delivery systems as well as patch-clamp electrophysiology of ion channels, yet their mechanical properties are not fully measured. Herein, we examined the effect of the ether linkage on the mechanical properties of ester- and ether-DPhPC lipid bilayers using all-atom molecular dynamics simulation. The values of area per lipid, thickness, intrinsic lateral pressure profile, order parameter, and elasticity moduli were estimated using various computational frameworks and were compared with available experimental values. Overall, a good agreement was... 

We have studied the mechanical properties of a few-layer graphene cantilever (FLGC) using atomic force microscopy (AFM). The mechanical properties of the suspended FLGC over an open hole have been derived from the AFM data. Force displacement curves using the Derjaguin-Müller-Toporov (DMT) and the massless cantilever beam models yield a Young modulus of Ec ∼ 37, Ea ∼ 0.7TPa and a Hamakar constant of ∼ 3 × 10 -18J. The threshold force to shear the FLGC was determined from a breaking force and modeling. In addition, we studied a graphene nanoribbon (GNR), which is a system similar to the FLGC; using density functional theory (DFT). The in-plane Young's modulus for the GNRs were calculated from... 

In this paper, the mechanical properties of graphene oxide are obtained using the molecular dynamics analysis, including the ultimate stress, Young modulus, shear modulus and elastic constants, and the results are compared with those of pristine graphene. It is observed that the increase of oxide agents (–O) and (–OH) leads to the increase of C–C bond length at each hexagonal lattice and as a result, alter the mechanical properties of the graphene sheet. It is shown that the elasticity modulus and ultimate tensile strength of graphene oxides (–O) and (–OH) decrease significantly causing the failure behavior of graphene sheet changes from the brittle to ductile. The results of shear loading... 

The phenomena of surface, interface, and size effects are the determinative factors in the prediction of the mechanical behavior of multiphase nanowires. The interatomic bond lengths and charge density distribution associated with the surface and interface layers of the relaxed configuration of such nanostructures, in the absence of any external loadings, differ from those of the bulk remarkably. Second strain gradient theory due to its competency in capturing the above mentioned effects will be employed to examine the relaxation of carbon-coated silicon nanowire, carbon nanoshell, and silicon nanowire. Using this theory their effective Young's modulus will also be estimated. To this end,... 

To account for certain essential features of material such as dispersive behaviour and optical branches in dispersion curves, a fundamental departure from classical elasticity to polar theories is required. Among the polar theories, micromorphic elasticity of appropriate grades and anisotropy is capable of capturing these physical phenomena completely. In the mathematical framework of micromorphic elasticity, in addition to the traditional elastic constants, some additional constants are introduced in the pertinent governing equations of motion. A precise evaluation of the numerical values of the aforementioned elastic constants in the realm of the experimentations poses serious... 

Applying flexible variable shape control surfaces (wing and elevator) structures is a way to increase efficiency and maneuverability of the planes, which is recently under research. In this paper, modeling of the flight of an unmanned ultra light plane is discussed. The modeling is done based on a real ultra light plane presented recently. To increase maneuverability of the plane, flexible variable shape structures are designed for the wing and the elevator. In design procedure, having an ultra light plane is considered. The elevator and the wing are used as control surfaces for longitudinal and lateral maneuvers respectively. Shape memory alloys (SMA) are used for reshaping the flexible... 

The aim of this paper is to investigate adhesion property between nano-layered filler and the polymer matrix using a combination of experimental and micromechanical models as well as the changes in yield strength and stiffness of a layered silicate-filled epoxy nanocomposite. The results indicate that addition of intercalated layered silicate particles increased Young's modulus and yield strength of the epoxy resin, although the increases in stiffness and yield strength are modest, 30% and 4%, respectively. In addition, experimental results were compared with predictive stiffening and strengthening models. The rule of mixtures provides an upper bound for the modulus in these materials, while... 

The classical methods utilized for modeling nano-scale systems are not practical because of the enlarged surface e ects that appear at small dimensions. Contrarily, implementing more accurate methods is followed by prolonged computations as these methods are highly dependent on quantum and atomistic models, and they can be employed for very small sizes in brief time periods. In order to speed up the Molecular Dynamics (MD) simulations of the silicon structures, Coarse-Graining (CG) models are put forward in this research. The procedure involves establishing a map between the main structure's atoms and the beads comprising the CG model and modifying the parameters of the system so that the... 

A new study is conducted with the aid of molecular dynamics (MD) simulation to investigate the effect of shear modulus value of the interlayer van der Waals (vdWs) interactions on free vibration of cantilever multi-layer graphene nanoribbons (MLGNRs). The corresponding calibrated nonlocal parameters of the nonlocal model are obtained accordingly. The vdWs interactions are treated as the cores between every two adjacent graphene layers and their equivalent shear modulus is calculated using MD simulation. The obtained resonant frequencies via the nonlocal sandwich model are compared to the MD simulation results to calibrate the nonlocal parameter. Results reveal a strong conclusion that the... 

Molecular dynamics simulations are employed to investigate material properties of nanocrystalline aluminum and nanocrystalline Al/Ni multilayers at low temperature. For this purpose, both single crystal and nanocrystalline multilayers with different grain sizes and grain morphology are used as the substrate. The results of the simulations show that hardness and elastic modulus decrease with refinement of grain size in nanocrystalline aluminum and refinement of grain size and layer thickness in nanocrystalline Al/Ni multilayers, regardless of grain morphology. Furthermore, the angle between two adjacent grains, which is directly connected to the grain boundary thickness, has a great influence... 

Carbon nanoropes (CNRs) are of interest for a wide variety of nanotechnological applications. Since little attention has been paid to mechanical properties of CNRs, their axial elastic modulus is explored herein. Molecular dynamics (MDs) simulations are adopted for analysis of Young's modulus of CNRs. It is also shown that increase in the initial helical angle decreases Young's modulus; however, by increase in the number of CNTs and strands, different influence on Young's modulus emerges. Therefore, the highest value of Young's modulus obtained at the lower value of initial helical angle and consequently, Young's modulus of bundle of straight CNTs is higher than CNRs with hierarchical...