Sharif Digital Repository

Abstract High ductility of metals as well as high strength of ceramics has made the metal/ceramic composites an attractive material for many applications requiring high strength to weight ratios. An important issue in using this material is the behavior of the material and its ceramic-metal interface under various loading, especially at high strain rate. To provide a better understanding of the interface conditions, in this work, a molecular dynamics study of the interface behavior in Al/α-Al2O3 composite as the result of tensile and shear loadings is presented. For this purpose, the reactive force field (ReaxFF) potential function is utilized. The effects of... 

The interfacial behavior of composites is often simulated using a cohesive zone model (CZM). In this approach, a traction-separation (T-S) relation between the matrix and reinforcement particles, which is often obtained from experimental results, is employed. However, since the determination of this relation from experimental results is difficult, the molecular dynamics (MD) simulation may be used as a virtual environment to obtain this relation. In this study, MD simulations under the normal and shear loadings are used to obtain the interface behavior of Al/Al2O3 composite material and to derive the T-S relation. For better agreement with Al/Al2O3 interfacial behavior, the exponential form... 

This study focuses on a forward looking approach in which deep eutectic solvents (DESs), a new class of designer solvents, were impregnated into micro porous polyvinylidene fluoride (PVDF) membrane for the separation of CO2 from CH4. Three types of DESs were prepared by mixing and heating of hydrogen bond acceptor (choline chloride) with either malic acid, tartaric acid or oxalic acid as hydrogen bond donor. The Fourier transform infrared spectroscopy confirmed the hydrogen bond interactions in the resulting DES. Thermal gravimetric analysis (TGA) was used to evaluate the thermal stability of the prepared membranes. The DES based supported liquid membranes were investigated systematically to... 

The study aimed to investigate the most effective leadership style that enhances the employees’ performance at the workplace and also evaluate the impact of leadership styles (Laissez-faire leadership, Transformational leadership, Transactional leadership,) on employees’ performance in the textile sector of Pakistan. The study explored the moderating role of Positive psychological capital to examine the relationship between leadership styles and employee performance. A quantitative research technique was used, and Data were collected from the lower to middle-level manager of the textile sector. The findings of this study showed that laissez-faire leadership has a significant but negative... 

Using the first-principles procedure of density-functional-theory within tight-binding approximation and nonequilibrium Green's function formalism, this paper reports on the impact of vacancy defects on the structural, electronic and transport properties of hydrogen-passivated graphene atomic sheet. After the introduction of vacancy defects in graphene atomic sheet passivated with hydrogen atoms, apart from increase in band gap, a suppression is noted in the intensity of transmission channels and density of states arising from the long array deformations of the graphene sheet and a corresponding shift of the Fermi level. This in turn decreases the conductance of the defected graphene atomic...