Sharif Digital Repository

First atomistic simulation was used to study the deformation and fracture mechanisms of Ni-Si interfaces under tensile and shear loads dependent on the crystal structure of interface zone. Modified embedded atom method (MEAM) potential was utilized for molecular dynamics (MD) modeling. The simulation includes analysis of common neighbors, coordination number, least-square atomic local strain, and radial distribution function. The profound effect of interface crystallography on the tensile and shear deformation is shown. The highest tensile strength is obtained for interfaces with high plane density due to lowest atomic disorder while under shear loading planes with low density exhibit a high... 

Graphene oxide is a single sheet of Carbon atoms which has been arranged on a two-dimensional honeycomb lattice. Functional groups such as epoxy, carboxyl and carbonyl are located on basal plane and at the edges of graphene oxide and they localize electrons on the surface of graphene oxide and open band gap in its band structure. Pure graphene has zero band gap, so existence of fluorescence properties is unlikely; but graphene oxide has fluorescence properties due to band gap in its band structure. Fluorescence properties of graphene have been used in live cell imaging and drug delivery, so study and increasing of fluorescence properties is significantly important. The purpose of this...