Sharif Digital Repository

Due to the wide applications of three-dimensional graphene (3DG) foam in bio-sensors, stretchable electronics, and conductive polymer composites, predicting its mechanical behavior is of paramount importance. In this paper, a novel multiscale finite element model is proposed to predict the compressive modulus of 3DG foams with various densities. It considers the effects of pore size and structure and the thickness of graphene walls on 3DG foams' overall behavior. According to the scanning electron microscope images, a unit cell is selected in the microscale step to represent the incidental arrangement of graphene sheets in 3DG foams. After derivation of equivalent elastic constants of the... 

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... 

Titanium carbonated hydroxyapatite (Ti/CHA) nanobiocomposites have extensive biological applications due to the excellent biocompatibility and similar characteristics to the human bone. Ti/CHA nanobiocomposite has good biological properties but it suffer from diverse characteristics especially in hardness, Young's modulus, apparent porosity and relative density. This investigation is an attempt to propose the predictive models using gene expression programming (GEP) to estimate these characteristics. In this regards, GEP is used to model and compare the effect of practical variables including pressure, Ti/CHA contents and sintering temperature on their monitored properties. To achieve this... 

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... 

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 study, the properties of poly (vinyl alcohol)(PVA) films incorporated with Zataria multiflora essential oil (ZMO) as a potential antioxidant/antibacterial material was investigated. PVA films were prepared from PVA solutions (2% w/v) containing different concentrations of ZMO. Water solubility, moisture absorption, water swelling, and water vapor permeability for pure PVA films were 57 ± 1.1, 99 ± 3.2%, 337 ± 8%, and 0.453 ± 0.015 g mm/m2 h, respectively. Incorporation of ZMO into PVA films caused a significant decrease in water swelling and moisture absorption and increase in solubility and water vapor permeability. Tensile strength, elastic modulus, and elongation at break for pure... 

Nano-biocomposites are a new class of hybrid materials composed of nano-sized filler (nanofiller) incorporated into a bio-based matrix. Such an association between eco-friendly biopolymers and nano-objects, with the aim to obtain synergic effects, is one of the most innovating routes to enhance the properties of these bio-matrices. In recent years, there has been an increasing interest in Starch as an inexpensive and renewable source has been used as a filler for environmentally friendly plastics for about two decades. However, the poor mechanical properties of starch based biopolymers, leads to use of nanoparticles as reinforcing materials. In the present study, the influence of a... 

To the best of our knowledge, this work presents the first successful effort to fabricate and study nanostructured Ni-based composite coatings using the electrophoretic deposition method with nanostructured SiO2 particles. In this work, Ni/SiO2 nanoparticle composite coatings were prepared by electrophoretic deposition (EPD) [1] and their hardness, wear and corrosion resistances [2] were examined. After studying the morphology of the coatings and finding the optimum conditions for uniform coating, in order to improve the mechanical properties as well as resistance to corrosion, sintering was performed. The Ni/SiO2 nanocomposite coatings show excellent hardness (∼376 HV), reduced Young's... 

Polyvinyl alcohol (PVA) thin films were reinforced by glutaraldehyde and multiwalled carbon nanotubes (MWCNTs) and then mechanical, water solubility, water swelling, water uptake, water vapor permeability, and antibacterial properties of the films were examined. Cross-linking by glutaraldehyde or incorporation of MWCNT caused a significant increase in tensile strength, decrease in elongation at break, and increase in Young's modulus of the PVA films, while MWCNTs were more effective rather than that of glutaraldehyde. Cross-linking by glutaraldehyde or incorporation of MWCNT caused a significant decrease in water solubility, water swelling and water uptake, with a similar manner.... 

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... 

Damage assessment of concrete arch dams is carried out through nonlinear Incremental Dynamic Analysis (IDA) of a typical arch dam. In this study the Morrow Point arch dam is subjected to a set of 12 three-component earthquakes each scaled to 12 increasing intensity levels. The dam-foundation interaction effects have been investigated by varying foundation's modulus of elasticity to be equal and half of dam concrete's modulus of elasticity. Damage propagation through the dam body is investigated and various IDA curves are created. The performance and various limit-states of the dam structure are examined based on the obtained results. Simple damage indices are proposed through comparison of... 

The elastic behavior of a screw dislocation which is positioned inside the shell domain of an eccentric core-shell nanowire is addressed with taking into account the surface/interface stress effect. The complex potential function method in combination with the conformal mapping function is applied to solve the governing non-classical equations. The dislocation stress field and the image force acting on the dislocation are studied in detail and compared with those obtained within the classical theory of elasticity. It is shown that near the free outer surface and the inner core-shell interface, the non-classical solution for the stress field considerably differs from the classical one, while... 

The elastic behavior of an edge dislocation, which is positioned outside of a nanoscale elliptical inhomogeneity, is studied within the interface elasticity approach incorporating the elastic moduli and surface tension of the interface. The complex potential function method is used. The dislocation stress field and the image force acting on the dislocation are found and analyzed in detail. The difference between the solutions obtained within the classical-elasticity and interface-elasticity approaches is discussed. It is shown that for the stress field, this difference can be significant in those points of the inhomogeneity-matrix interface, where the radius of curvature is smaller and which... 

In this paper, the scattering of anti-plane shear waves in an infinite matrix containing a multi-coated nanofiber/nanotube is studied. Based on the fact that the surface to volume ratio for nano-size objects increases, the usual classical theories which generally neglect the surface/interface effects fail to provide reasonable results. Therefore, to analyze the problem the wave-function expansion method is coupled with the surface/interface elasticity theory. In order to provide some quantitative results through consideration of several examples, the knowledge of the relevant surface and/or interface properties of the corresponding constituent materials are required. For this reason, part of... 

An experimental study is conducted to measure small-strain shear modulus of clay-cement mixture using bender element apparatus setup in a triaxial cell. Bender element tests were conducted on cement-treated soils and the results were analyzed to study the variation of shear modulus properties of soil specimens at different cement contents, confining pressures, curing times, and compaction moisture contents. Based on the obtained results increasing the cement ratio has a significant effect on the small-strain shear modulus of the treated soils, and this effect signifies with increasing the moisture content and curing time. Rates of shear modulus enhancements due to cement content, curing... 

Cyclic drained and undrained tests were performed in a modified simple shear device in order to specifically investigate the effect of saturation ratio on shear modulus and damping parameters of sand. In addition to the degree of saturation, the effects of number of cycles, vertical consolidation stress, shear strain amplitude and relative density on dynamic properties of sand were investigated. Dynamic stiffness and damping characteristic were found to be substantially independent of saturation ratio in the range of 25-75%. However, by approaching the full saturation state, the values of modulus fall sharply and damping of loose samples increases dramatically from corresponding values of... 

In order to evaluate dynamic properties of Babolsar and Toyoura sands at saturation levels of 25, 50, 75 & 100%, a series of cyclic simple shear tests were carried out. The SGI type cyclic simple shear device was used to study the shear modulus, G, and damping ratio, D, of the above mentioned sands at cyclic shear strain of 0.5, 5 & 10%. The effect of degree of saturation (S), vertical consolidation stress (σ vc) and number of loading cycles (N) were investigated. On the basis of the tests results, the shear modulus approximately remains constant by change of degree of saturation from 25 to 50% and decreases when reaches the degree of saturation 75%. Damping ratio approximately is constant... 

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... 

We present an approach for constant-pressure molecular dynamics simulations. This approach is especially designed for finite systems, for which no periodic boundary condition applies. A molecular dynamics (MD) simulation for Ni nanoclusters is used to calculate their pressurevolumetemperature (pvT) data for the temperature range 200 K≤T≤400 K, and pressures up to 600 kbar. Isothermal sets of pvT data were generated by the simulation; each set was fitted by three equations of state (EoSs): Linear Isotherm Regularity-II (LIRII), BirchMurnaghan (BM), and EOS III. It is found that the MD data are satisfactorily reproduced by the EoSs with reasonable precision. Some features of the EoSs criteria,... 

Despite various applications of hydrogels, they have poor gel strength and low resistance against crack propagation which lead to the limitation of their applications. For overcoming this inherent weakness, the current study has focused on the simultaneous utilization of interpenetrating polymer network (IPN) structure and nanocomposite hydrogels. It is known that IPN and nanocomposite gels can improve gel strength. The combination of IPN and nanocomposite structure was developed in hydrogels for improving gel strength. For this purpose, bentonite was successfully modified with a cationic surfactant, (3-methacrylamidopropyl) trimethyl ammonium chloride (MAPTAC), as intercalate, and...