Sharif Digital Repository

In this paper the effect of strain and impurity on the quantum conductance of semiconducting carbon nanotubes (CNTs) have been studied by ab-initio calculations. The effect of strain and impurity on the CNT conducting behavior and physical characteristics, like density of states (DOS), band structure, and atomic local density of state (LDOS), is considered and discussed separately and simultaneously. Our results show that the quantum conductance of semiconductor CNTs is increased by compression strain, elongation strain, and replacing nitrogen and boron doping in its structure. The amount of increasing in the conductance depends on the type of strain and impurity. Conductance of CNT can be... 

We investigate shear band initiation and propagation in fully saturated porous media by means of a combination of strong discontinuities (discontinuities in the displacement field) and XFEM. As a constitutive behavior of the solid phase, a Drucker–Prager model is used within a framework of non-associated plasticity to account for dilation of the sample. Strong discontinuities circumvent the difficulties which appear when trying to model shear band formation in the context of classical nonlinear continuum mechanics and when trying to resolve them with classical numerical methods like the finite element method. XFEM, on the other hand, is well suited to deal with problems where a discontinuity... 

The heat-affected zone (HAZ)softening is considered one of the most significant challenges during welding of ferrite–martensite dual-phase (DP) steels. In fact, the strain localization in the softened area results in a premature fracture that degrades the mechanical properties of the joint. Herein, the objective is to investigate the effectiveness of improved cooling using a high thermal diffusivity backing plate (BP) to reduce HAZ softening and enhance the mechanical properties of friction stir-welded DP700 steel. Accordingly, friction stir butt welding of DP700 steel was conducted using copper and mild steel BPs. The findings show that the replacement of steel BP with copper significantly... 

The heat-affected zone (HAZ) softening is considered one of the most significant challenges during welding of ferrite–martensite dual-phase (DP) steels. In fact, the strain localization in the softened area results in a premature fracture that degrades the mechanical properties of the joint. Herein, the objective is to investigate the effectiveness of improved cooling using a high thermal diffusivity backing plate (BP) to reduce HAZ softening and enhance the mechanical properties of friction stir-welded DP700 steel. Accordingly, friction stir butt welding of DP700 steel was conducted using copper and mild steel BPs. The findings show that the replacement of steel BP with copper significantly... 

It is well known that strain localization and indeed displacement discontinuity can arise in materials exhibiting plastic behaviour. Indeed such localization is almost certain to occur if strain softening or non-associated behaviour exists, though it can be triggered even when ideal plasticity is assumed. This study is concerned mainly with the manner in which the numerical discretization process has to be devised so as to capture the localization phenomenon. In this paper, a method is presented for applying the mixed formulation to study the prediction of localization phenomenon in powder-forming processes. This study is focused on the performance of mixed u - π triangular elements to study... 

In this paper, a micro-polar continuum model is presented based on the Cosserat theory for 3D modeling of localization phenomena. Since the classical continuum model suffers from the pathological mesh-dependence in strain localization problem, the governing equations are regularized by adding the rotational degrees-of-freedom to conventional degrees-of-freedom. The fundamental relations in three-dimensional Cosserat continuum are presented and the internal length parameters are introduced in the elasto-plastic constitutive matrix to control the shear bandwidth. The mesh independency of Cosserat model in strain-softening problem is verified and the effect of internal parameters is... 

In this paper, an adaptive FE analysis is presented based on error estimation, adaptive mesh refinement and data transfer for enriched plasticity continua in the modelling of strain localization. As the classical continuum models suffer from pathological mesh-dependence in the strain softening models, the governing equations are regularized by adding rotational degrees-of-freedom to the conventional degrees-of-freedom. Adaptive strategy using element elongation is applied to compute the distribution of required element size using the estimated error distribution. Once a new mesh is generated, state variables and history-dependent variables are mapped from the old finite element mesh to the... 

In this paper, a hypoelasto-viscoplastic endochronic model is developed to capture the strain localization phenomena. The elastic response is stated in terms of hypoelastic model and endochronic constitutive equations are stated in unrotated frame of reference. The infinitesimal theory of endochronic plasticity is extended to large strain range on the basis of the additive decomposition of the strain rate tensor and hypoelasticity. Constitutive equations are stated in unrotated frame of reference that greatly simplifies endochronic constitutive relations in finite plasticity and yields the efficiency of the presented algorithm by total uncoupling material and geometrical nonlinearities. An... 

Phase field theory for fracture is developed at large strains with an emphasis on a correct introduction of surface stresses at nanoscale. This is achieved by multiplying the cohesion and gradient energies by the local ratio of the crack surface areas in the deformed and undeformed configurations and with the gradient energy in terms of the gradient of the order parameter in the reference configuration. This results in an expression for the surface stresses which is consistent with the sharp surface approach. Namely, the structural part of the Cauchy surface stress represents an isotropic biaxial tension, with the magnitude of a force per unit length equal to the surface energy. The surface... 

The main objective of this study is to predict the deformation behavior, strain localization, and forming limits of ferrite-pearlite steels by incorporating the contributions of the microstructural characteristics and mechanical properties of the underlying microstructure. A realistic microstructure-based micromechanical approach in the framework of the crystal plasticity (CP) model was carried out using the periodic representative volume element (RVE) generated from the scanning electron microscopy (SEM) image. The homogenized stress–strain curve of the realistic RVE was validated with the experimental data with an error of less than 6.71% at large strains. Afterward, the initial... 

This paper attempts to study the microstructural stress-strain evolution and strain localization in the ferrite-pearlite steel by high-resolution experimental-numerical integrated testing. Ferrite crystal orientations measured by electron backscatter diffraction (EBSD) were mapped onto precise scanning electron microscopy (SEM) micrographs of ferrite and cementite lamellar morphologies. Furthermore, in-situ SEM tensile testing was employed to map strains during the deformation using digital image correlation (DIC) at high spatial resolutions. Finally, spectral solver-based crystal plasticity (CP) simulations loaded by the local SEM-DIC boundary conditions were performed and compared to the... 

Electronic and transport properties of 11 zigzag graphene nanoribbons (11-z-GNRs) with two types of 3D-paired pentagon-heptagon defects (3D-PPHDs) are studied using density functional theory combined with non-equilibrium Green's function method. The C ad-dimers that have been introduced to z-GNRs to form these 3D-PPHDs have induced local strains forcing the C-bonds in the ad-dimers to hybridize in sp3-like rather than sp2-like orbitals. Such transformations that cause extra electrons to accumulate around the 3D-PPHDs are responsible for the variations in the electronic and transport properties of the defected z-GNRs. Density of states (DOS) for 11-z-GNRs containing either type of 3D-PPHDs,...