Sharif Digital Repository

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 ~ 0.7 TPa and a Hamakar constant of ~ 3 × 10 − 18 J. 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... 

Nowadays, thin films have many applications in every field. So, in order to improve the performance of thin film devices, it is necessary to characterize their mechanical as well as electrical properties. In this research work we focus on the development of a model for the analysis of the mechanical and electrical properties of silver nanoparticles deposited on silicon substrates. The model consists of inter-particle diffusion modeling and finite element analysis. In this study, through the simulation of the sintering process, it is shown that how the geometry, density, and electrical resistance of the thin film layer are changed with sintering conditions. The model is also used to... 

The dynamic behavior of a functionally graded (FG) simply supported Euler-Bernoulli beam subjected to a moving oscillator has been investigated in this paper. The Young's modulus and the mass density of the FG beam vary continuously in the thickness direction according to the power-law model. The system of equations of motion is derived by using Hamilton's principle. By employing Petrov-Galerkin method, the system of fourth-order partial differential equations of motion has been reduced to a system of second-order ordinary differential equations. The resulting equations are solved using Runge-Kutta numerical scheme. In this study, the effect of the various parameters such as power-law... 

The main purpose of this study is to compare the many different rock properties in the rock sawability. The comparison was realized with the combination of the analytic hierarchy process (AHP) and Fuzzy Delphi method and also TOPSIS method. The analysis is one of the multi-criteria techniques providing useful support in selecting among several alternatives with different objectives and criteria. FDAHP method was used in determining the weights of the criteria by decision makers and then ranking the sawability of the rocks was determined by TOPSIS method. The study was supported by the results obtained from a questionnaire carried out to know the opinions of the experts in this subject.... 

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... 

The instability of large diameter single-walled carbon nanotubes (SWCNTs) conveying fluid is investigated based on the molecular mechanics. Using the modal expansion for structural displacements, the governing equations of coupled fluid-structural dynamics of SWCNTs are derived. The natural frequencies and mode shape of the SWCNTs are obtained based on the molecular structural mechanics to account for the effect of chirality and discrete nature of SWCNTs. The results show that the vibrational behavior of large diameter SWCNTs conveying fluid is size dependent, but the effect of chirality is negligible. The obtained results are compared with the equivalent continuum-based model in the... 

Ultrahigh-molecular-weight polyethylene (UHMWPE)/fumed silica nanocomposites were prepared via in situ polymerization using a bi-supported Ziegler-Natta catalytic system. Nanocomposites with different nanoparticle weight fractions were produced in order to investigate the effect of fumed silica on thermal and mechanical properties of UHMWPE/fumed silica nanocomposites. The viscosity average molecular weight (M) of all samples including pure UHMWPE as the reference sample and nanocomposites were measured. Scanning electron microscope (SEM) images showed the homogenous dispersion of nanoparticles throughout the UHMWPE matrix while no nanoparticle cluster has been formed. Crystallization... 

In this research, ultrahigh-molecular-weight polyethylene (UHMWPE)/multiwalled carbon nanotube (MWCNT) nanocomposites with different nanotube concentrations (0.5, 1.5, 2.5, and 3.5 wt %) were prepared via in situ polymerization with a novel, bisupported Ziegler-Natta catalytic system. Magnesium ethoxide [Mg(OEt) 2] and surface-functionalized MWCNTs were used as the support of the catalyst. Titanium tetrachloride (TiCl 4) accompanied by triethylaluminum constituted the Ziegler-Natta catalytic system. Preparation of the catalyst and the polymerization were carried out in the slurry phase under an argon atmosphere. Support of the catalyst on the MWCNTs was investigated with Fourier transform... 

In this paper, the elastic properties of monomeric actin (G-actin) and the trimer nucleus (G-actin trimer) in different states of nucleotide binding are estimated using steered molecular dynamic (SMD) simulations. Three nucleotide binding states are considered: ADP- and ATP-bound actin and nucleotide-free actin assemblies. Our results show that nucleotide binding and the corresponding changes in structure have significant effects on the mechanical behaviors of actin assemblies. Simulations reveal that the deformation behavior of G-actin monomers is generally elastic up to engineering strains of 16 and 40% in the tension and shear tests, respectively. In addition, the G-actin trimers react... 

In spite of earlier experimental and modeling studies, the relative role of the intra-abdominal pressure (IAP) in spine mechanics has remained controversial. This study employs simple analytical and finite element (FE) models of the spine and its surrounding structures to investigate the contribution of IAP to spinal loading and stability. The analytical model includes the abdominal cavity surrounded by muscles, lumbar spine, rib cage and pelvic ring. The intra-abdominal cavity and its surrounding muscles are represented by a thin deformable cylindrical membrane. Muscle activation levels are simulated by changing the Young's modulus of the membrane in the direction of muscle fibers, yielding... 

Carbon nanotubes (CNTs) are viewed as rolled graphene. Thus, an appropriate formulation describing the behavior of CNTs must contain the key information about both their initial configuration as graphene and final configuration as CNT.On this note, to date, somemodels, in particular based on the Cauchy- Born rule, for the description of CNTs behavior exist. A simplifying assumption in some of these models is that the length and perimeter of the CNT equal the corresponding dimensions of the unrolled initial configuration, thus neglecting the induced hoop and longitudinal strains. On the other hand, the present work offers a purely nonlinear continuum model suitable for the description of the... 

A new predictive model for evaluating the vibration of a sawing machine was developed using a new rock classification system. The predictors are machine parameters and a rock sawability index. The new rock classification system includes four major parameters of the rock: uniaxial compressive strength, abrasivity index, mean Moh's hardness, and Young's modulus. The FAHP approach was used when determining the weights of these parameters by six decision makers. Two groups of carbonate rocks were sawn using a fully-instrumented laboratory sawing rig at different feed rates and depths of cut. During the sawing trials system vibration was monitored as a measure of saw performance. Then, a new... 

Carbon nanostructures such as carbon nanotubes (CNTs) and graphene sheets have attracted great attention due to their exceptionally high strength and elastic strain. These extraordinary mechanical properties, however, can be affected by the presence of defects in their structures. When a material contains multiple defects, it is expected that the stress concentration of them superposes if the separation distances of the defects are low, which causes a more reduction of the strength. On the other hand, it is believed that if the defects are far enough such that their affected areas are distinct, their behavior is similar to a material with single defect. In this article, molecular dynamics... 

The objective of the present study is to predict Young's modulus of polymer-layered silicate nanocomposites (PLSNs) containing fully intercalated structures. The particular contribution of this article is to consider the changes in structural parameters of different intercalated morphologies in vicinity of each other. These parameters include aspect ratio of intercalated stacks, number of silicate layers per stack, d-spacing between the layers, modulus of the gallery phase, and volume fraction of each intercalated morphology. To do this, the effective particle concept has been employed and combined with the Mori-Tanaka micromechanical model. It has been shown that the simultaneous effects of... 

In this research, polypropylene (PP) nanocomposite films were prepared by melt intercalation method and their properties have been evaluated. To facilitate the formation of either intercalated or exfoliated nanocomposites, ethylene vinyl acetate copolymer (EVA) was used as a compatibiliser. Morphology of composites was determined by X-ray Diffraction (XRD) and transmission electron microscopy (TEM). XRD and TEM analyses confirmed that increasing of EVA content leads to achievement of intercalated nanocomposites. Furthermore, differential scanning calorimetry (DSC) measurement indicated a decrease in crystallinity, melting point and crystallization temperature. Also, permeability tests showed... 

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... 

An accurate examination of deformability of rock samples in response to any change in stresses is deeply dependent on the reliable determination of properties of the rock as analysis inputs. Although Young’s modulus (E) can provide valuable characteristics of the rock material deformation, the direct determination of E is considered a time-consuming and complicated analysis. The present study is aimed to introduce a new hybrid intelligent model to predict the E of granitic rock samples. Hence, a series of granitic block samples were collected from the face of a water transfer tunnel excavated in Malaysia and transferred to laboratory to conduct rock index tests for E prediction. Rock index... 

Porous NiTi-shape memory alloy (SMA) is a promising biomaterial with desirable mechanical property and appropriate biocompatibility for human implant manufacturing. In this research, porous NiTi-SMAs have been successfully produced by using thermohydrogen process (THP). This process has capability of production of homogenous structures, appropriate pore-size distributions and short sintering times. The THP-SMA samples produced in this research have a low Young's modulus (19.8 GPa) and a high tensile strength of 255 MPa. These properties are close to those of the natural bone and can meet the mechanical property demands of the hard-tissue implants for heavy load-bearing applications. The... 

Gating of mechanosensitive (MS) channels is driven by a hierarchical cascade of movements and deformations of transmembrane helices in response to bilayer tension. Determining the intrinsic mechanical properties of the individual transmembrane helices is therefore central to understanding the intricacies of the gating mechanism of MS channels. We used a constant-force steered molecular dynamics (SMD) approach to perform unidirectional pulling tests on all the helices of MscL in M. tuberculosis and E. coli homologs. Using this method, we could overcome the issues encountered with the commonly used constant-velocity SMD simulations, such as low mechanical stability of the helix during... 

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...