Sharif Digital Repository

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... 

In this paper, a multiplate nonlocal shear model and molecular dynamic simulations are presented to investigate the effects of interlayer shear and nonlocality on the natural frequencies of multilayer graphene sheets (MLGSs). From one aspect in the optimal design of such structures, the interaction between graphene layers, which can significantly vary the static and dynamic behavior due to lack of solidity of layers stack, should be considered. On the other hand, it is requied that the nonlocality phenomenon which has an effective role in the mechanical analysis of nanostructures is taken into account. To this aim, the equation of motion along with corresponding boundary conditions is... 

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... 

There are limitations in current medications of articular cartilage injuries. Although injectable bioactive hydrogels are promising options, they have decreased biomechanical performance. Researchers should consider many factors when providing solutions to overcome these challenges. In this study, we created an injectable composite hydrogel from chitosan and human acellular cartilage extracellular matrix (ECM) particles. In order to enhance its mechanical properties, we reinforced this hydrogel with microporous microspheres composed of the same materials as the structural building blocks of the scaffold. Articular cartilage from human donors was decellularized by a combination of physical,... 

Eringen's nonlocal theory and an accurate determination of the nonlocal kernel functions for hexagonal close-packed (hcp) crystals are of interest. The kernel functions are closely related to the anisotropy as well as any crystalline symmetries. To this end, five new distinct nonlocal kernel functions which have the characteristics of discrete atomistic Green's functions in the stress space are obtained through consideration of the nonlocal dispersion relations associated with certain directions combined with ab initio Density Functional Perturbation Theory (DFPT) calculations of the pertinent phonon frequencies. This is the first work which provides the nonlocal hcp kernel functions... 

The dilemma with the deficiencies of the nonlocal kernel functions as the building blocks of the Eringen’s nonlocal theory has been of concern. The aim of the current work is to provide a remedy for the calculation of the components of the nonlocal moduli tensor pertinent to face center cubic (fcc) crystals accounting for their true symmetry group. To this end, three new distinct nonlocal kernel functions which are the discrete atomistic Green’s functions in the stress space are obtained through the nonlocal dispersion relations associated with the longitudinal and shear waves in fcc crystals combined with the corresponding ones calculated via ab initio based on density functional... 

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... 

In this study, two classes of advanced finite volume schemes, including Multi-Point Flux Approximation (MPFA) and Dual Discrete Finite Volume (DDFV) method, have been employed in conjunction with the finite element (FE) geomechanics simulator to model the coupled fluid-solid system. Fully saturated porous media with poroelastic behavior, random field permeability and elastic modulus are considered as parameters. The performance of the proposed hydro-mechanical models, including MPFA O-FEM and DDFV-FEM, is examined through different test cases. First, the models are validated and compared with the closed-form solutions in the homogeneous domain. Second, the methods' stability and convergence... 

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... 

Let p be a prime number and let n be a positive integer prime to p. By an Ihara-result, one means the existence of an injection with torsion-free cokernel, from a full lattice, in the space of p-old modular forms, into a full lattice, in the space of all modular forms of level np. In this paper, Ihara-results are proven for genus two Siegel modular forms, Siegel-Jacobi forms and Hilbert modular forms. Ihara did the genus one case of elliptic modular forms [1]. A geometric formulation is proposed for the notion of p-old Siegel modular forms of genus two, using clarifying comments by R. Schmidt [2] and, then, following suggestions in an earlier paper [3] on how to prove Ihara results. The main... 

In this paper, a new single cone-cap plasticity with an isotropic hardening rule is presented for powder materials. A general form is developed for the cap plasticity, which can be compared with some common double-surface plasticity models proposed for powders in literature. The constitutive elasto-plastic matrix and its components are derived based on the definition of yield surface, hardening parameter and nonlinear elastic behavior, as a function of relative density of powder. Different aspects of the model are illustrated and the procedure for determination of powder parameters is described. Finally, the applicability of the proposed model is demonstrated in numerical simulation of... 

A critical combination of matrix strain hardening exponent and fiber volume exceeded to confer tensile ductility to short-fiber reinforced metal. The bimodal distribution of tensile ductilities observed in such materials can be attributed to a transition in damage mode, from fiber fragmentation to matrix voiding. Building on results for model composites of this class and making a few specification, a simple criterion can be proposed to predict whether such composites display a low or a high tensile elongation. The results show that, composites of this class are ductile if their matrix strain hardening exponent exceeds by more than around three per cent of unity the fiber volume fraction  

In this paper, nanoscale vibrational analysis of a multi-layered graphene sheet embedded in an elastic medium is investigated and the corresponding natural frequencies and the associated modes are determined. The modeling is based on the fact that the elastic moduli of a graphene sheet in two perpendicular orientations are different, so the plate is considered to be anisotropic. The graphene layers stacking at the top of each other bond with carbon-carbon van der Waals forces between two adjacent ones. Also, the whole multi-layered graphene sheet is influenced by polymer-carbon van der Waals forces from the surrounding elastic medium. © 2005 Elsevier Ltd. Al rights reserved  

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... 

The evolution of microstructural damage during tensile deformation of pure aluminium reinforced with 10 vol.% alumina short fibres is studied by monitoring the evolution of density and Young's modulus as a function of tensile strain. It is found that Young's modulus drops rapidly until a strain εc ≈ 3%. The composite density remains virtually unchanged in this strain range. At strains above εc, Young's modulus decreases more slowly while the density begins to decrease linearly, indicating void growth in the composite. It is shown that the drop in Young's modulus is linked to fragmentation of fibres aligned along the stress axis, while the decrease in density is related to void opening across... 

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 concept of Shape Memory Alloy (SMA) has been a subject of extensive research in the recent few years. In many SMA applications, wire elements have been used in order to control structural specifications like shape and stiffness. Since a wire can only be subjected to tensile forces, the available theoretical models for SMA discuss only the tensile loading. The present paper is an endeavor to overcome this shortcoming. It gives experimental results for tension and compression tests on specimens (having different geometries) made of an identical shape memory alloy. The corresponding results are compared with each other. Using stress-strain diagrams, several important material properties are... 

Forced and free vibrational analyses of viscoelastic nanotubes containing fluid under a moving load in complex environments incorporating surface effects are conducted based on the nonlocal strain gradient theory and the Rayleigh beam model. To model the internal nanoflow, the slip boundary condition is employed. Adopting the Galerkin discretization approach, the reduced-order dynamic model of the system is acquired. Analytical and numerical methods are exploited to determine the dynamic response of the system. The impacts of geometry, scale parameter ratio, Knudsen number, fluid velocity, rotary inertia parameter, viscoelastic parameter, surface residual stress, surface elastic modulus, and... 

In this study, frequency simulation and critical angular velocity of a size-dependent laminated rotary microsystem using modified couple stress theory (MCST) as the higher-order elasticity model is undertaken. The centrifugal and Coriolis impacts due to the spinning are taken into account. The size-dependent thick annular microsystem's computational formulation, non-classical governing equations, and corresponding boundary conditions are obtained by using the higher-order stress tensors and symmetric rotation gradient to the strain energy. By using a single material length scale factor, the most recent non-classical approach captures the size-dependency in the annular laminated microsystem.... 

Material properties and fracture characteristics are among the most prominent parameters that should be considered for a wide range of graphene applications. This article reviews recent advances in theoretical studies on the mechanical properties and fracture behaviors of graphene, focusing on the effect of various simulation models. Most studies investigated single-layer graphene sheets (SLGSs) under uniaxial tensile tests using different common interatomic potentials, particularly AIREBO. Although researchers have examined a similar problem, specifically for pristine graphene, the differences in the reported values are considerable. These discrepancies are most evident in fracture...