Sharif Digital Repository

Molecular dynamics simulation was used to study of mechanical properties of NiTi/Cu bilayer by nanoindentation and tensile testing. A comparison has been made among mechanical properties measured and plastic deformation process at different copper thickness during nanoindnetation and tensile test of the samples. Embedded atom method potentials for describing of inter-Atomic interaction and Nose-Hoover thermostat and barostat are employed in the simulation at 400 K. The results showed that as the copper film thickness decreased, the maximum load and hardness values increased during nanoindetation. Saha and Nix model is used to describe reduced young's modulus behaviour of the bilayer system... 

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... 

In this paper, a 4-DOF robotic arm for tool handling in laparoscopic surgery is introduced. The robot provides sufficient force to handle endoscopic tools used for large organ manipulation and is capable of measuring the tool-tissue forces. The RCM constraint is achieved using a spherical mechanism and roll and insertion motions are provided using time pulley and spindle-drive, respectively. The forward and inverse kinematics of the robot was solved and the dimensions of its links were determined, using particle swarm optimization method, so that the maximum kinematic and dynamic performance could be achieved  

Fabrication of well-ordered and bio-mimetic scaffolds is one of the most important research lines in tissue engineering. Different techniques have been utilized to achieve this goal, however, each method has its own disadvantages. Recently, melt electrowriting (MEW) as a technique for fabrication of well-organized scaffolds has attracted the researchers’ attention due to simultaneous use of principles of additive manufacturing and electrohydrodynamic phenomena. In previous research studies, polycaprolactone (PCL) has been mostly used in MEW process. PCL is a biocompatible polymer with characteristics that make it easy to fabricate well-arranged structures using MEW device. However, the... 

The meshless element-free Galerkin method was generalized and an algorithm was developed for 3D dynamic modeling of deformable bodies in real time. The efficacy of the algorithm was investigated in a 3D linear viscoelastic model of human spleen subjected to a time-varying compressive force exerted by a surgical grasper. The model remained stable in spite of the considerably large deformations occurred. There was a good agreement between the results and those of an equivalent finite element model. The computational cost, however, was much lower, enabling the proposed algorithm to be effectively used in real-time applications  

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... 

The objective of this study was to propose a new analytical model for studying response of head impacts. Head is modeled by fluidfilled ellipsoidal shell of inconstant thickness impacted by a solid elastic sphere. Modeling the head as an ellipsoid is more realistic than modeling it as a sphere, the previous model existing in the literature [3]-[8]. In this model, the effect of Hertzian contact stiffness and local shell stiffness are combined to derive explicit equations for impact duration, the peak force transmitted to head, and the head injury criterion. One of the advantages of the model presented is sensitivity to the site of impact. A comparison between the present analytical results... 

Three independent elastic constants C 11, C 12, and C 44 were calculated and compared using available potentials of eight different metals with FCC crystal structure; Gold, Silver, Copper, Nickel, Platinum, Palladium, Aluminum and Lead. In order to calculate the elastic constants, the second derivative of the energy density of each system was calculated with respect to different directions of strains. Each set of the elastic constants of the metals in bulk scale was compared with experimental results, and the average relative error was for each was calculated and compared with other available potentials. Then, using the Voigt-Reuss-Hill method, approximated values for Young and shear moduli... 

The fabrication of the C6N7 monolayer [Zhao et al., Sci. Bull. 66, 1764 (2021)] motivated us to discover the optical, structural, mechanical, and electronic properties of the C6N7 monolayer by employing the density functional theory (DFT) method. We find that the shear modulus and Young's modulus of the C6N7 monolayer are smaller than the relevant values of graphene. However, Poisson's ratio is more significant than that of graphene. Applying the PBE (HSE06) functional bandgap of the C6N7 monolayer is 1.2 (1.97) eV, and the electronic dispersion is almost isotropic around the Γ point. C6N7 is more active in the ultraviolet region as compared to the visible light region. This study provides... 

A hybrid scaffold of gelatin-glycosaminoglycan matrix and fibrin (FGG) has been synthesized to improve the mechanical properties, degradation time and cell response of fibrin-like scaffolds. The FGG scaffold was fabricated by optimizing some properties of fibrin-only gel and gelatin-glycosaminoglycan (GG) scaffolds. Mechanical analysis of optimized fibrin-only gel showed the Young module and tensile strength of up to 72 and 121 KPa, respectively. Significantly, the nine-fold increase in the Young modulus and a seven-fold increase in tensile strength was observed when fibrin reinforced with GG scaffold. Additionally, the results demonstrated that the degradation time of fibrin was enhanced... 

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... 

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... 

The aim of this study was to develop a more sophisticated model of the spleen tissue and investigate its interactions with a three-fingered laparoscopic grasper. The spleen tissue, modeled as a hyper viscoelastic material, was subjected to external loadings, imposed by rigid grasping jaws. The tissue deformation as well as the sliding occurrence between tissue and jaws was investigated using nonlinear finite element method. Results indicated that a grasping configuration which aimed a sufficiently large piece of spleen with small radius of curvature was more successful for effective grasping. The trends and magnitudes of the tooltissue interaction forces obtained during effective and... 

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... 

The objective of this study was to develop and validate a novel 3D dynamic model of a pelvic side-impactor system. The biomechanical responses of a pelvic flexible model (having.mnf file suffix) under the lateral impact load for predicting the bone fracture mechanism are investigated as well. The 3D solid model of the side-impactor system was imported into MSC/ADAMS software for analyzing the dynamic model, and the pelvic flexible model was extracted from the CT images of a Chinese female volunteer. The flexible model of the pelvis system was developed considering a wide range of mechanical properties in the bone complex and soft tissue to achieve a realistic biomechanical response during a... 

The current study deals with the preparation and characterization of polysaccharide-based biocomposite films acquired by the incorporation of cellulose nanofiber within glycerol plasticized matrix formed by starch. The application of starch-based films is limited due to highly hydrophilic nature and poor mechanical properties. These problems are solved by forming a nanocomposite of thermoplastic starch (TPS) as matrix and cellulose nanofiber (CNF) as reinforcement. CNF is successfully prepared from short henequen fibers which consist of almost 60% cellulose by a chemo-mechanical process. TPS/CNF composite films are prepared by the polymer solution casting method, and their characterizations... 

We report the development of an efficient, customized spherical indentation-based testing method to systematically estimate the hydraulic permeability of gelatin methacryloyl (GelMA) hydrogels fabricated in a wide range of mass concentrations and photocrosslinking conditions. Numerical simulations and Biot's theory of poroelasticity were implemented to calibrate our experimental data. We correlated elastic moduli and permeability coefficients with different GelMA concentrations and crosslinking densities. Our model could also predict drug release rates from the GelMA hydrogels and diffusion of biomolecules into the three-dimensional GelMA hydrogels. The results potentially provide a design...