Sharif Digital Repository

We generalize an already proposed protocol for quantum state transfer to spin chains of arbitrary spin. An arbitrary unknown d -level state is transferred through a chain with rather good fidelity by the natural dynamics of the chain. We compare the performance of this protocol for various values of d. A by-product of our study is a much simpler method for picking up the state at the destination as compared with the one proposed previously. We also discuss entanglement distribution through such chains and show that the quality of entanglement transition increases with the number of levels d. © 2007 The American Physical Society  

In this paper, we suggest to use a steepest descent algorithm for learning a parametric dictionary in which the structure or atom functions are known in advance. The structure of the atoms allows us to find a steepest descent direction of parameters instead of the steepest descent direction of the dictionary itself. We also use a thresholded version of Smoothed- ℓ0 (SL0) algorithm for sparse representation step in our proposed method. Our simulation results show that using atom structure similar to the Gabor functions and learning the parameters of these Gabor-like atoms yield better representations of our noisy speech signal than non parametric dictionary learning methods like K-SVD, in... 

Continuum-based modeling of nanostructures is an efficient and suitable method to study the behavior of these structures when the deformation can be considered homogeneous. This paper is concerned about multiscale nonlinear tensorial constitutive modeling of carbon nanostructures based on the interatomic potentials. The proposed constitutive model is a tensorial equation relating the second Piola-Kirchhoff stress tensor to Green-Lagrange strain tensor. For carbon nanotubes, some modifications are made on the planar representative volume element (RVE) to account for the curved atomic structure resulting a non-planar RVE. Using the proposed constitutive model, the elastic behavior of the... 

The superprism effects of higher bands, i.e., for normal frequencies of higher than one, in two-dimensional (2D) polymer photonic crystals (PCs) are investigated. It is shown that in a polymer PC of triangular symmetry with filling factor of about 31%, the gradual transition of the hexagonal into triangular equi-frequency dispersion contours leads to a strong superprism in the 6th band at a normal frequency of 1.2. This dispersion is more prominent than those observed in the lower bands in 2D PCs. Also, this requires a lattice constant longer than the concerned wavelength. Furthermore, in a 2D polymer PC with a filling factor of about 83% a strong discontinuous superprism effect occurs at... 

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... 

The nanocrystallization process of amorphous Fe73.5Si13.5B9Nb3Cu 1 was investigated by active screen plasma nitriding (ASPN) treatment at temperatures ranging from 410 °C to 560 °C for 3 h in two gas mixtures of 75% N2-25% H2 and 25% N2-75% H2 at 5 mbar atmosphere. The amorphous ribbons were then annealed under vacuum at the same time and temperatures mentioned above. The structure of the samples was analyzed using various techniques such as X-ray diffraction (XRD), atomic force microscopy (AFM) and differential scanning calorimetry (DSC). Microhardness measurements, electrical resistivity and Vibrating Sample Magnetometer (VSM) were used to study mechanical, electrical and magnetic... 

Growth of thin layers of compound semiconductors such as GaAs and Al x Ga1-x As was obtained by Liquid Phase Epitaxy (LPE) at 838-828 ° C in thickness range of 0.1-4.3 μm which was estimated by Scanning Electron Microscopy (SEM). By Secondary Ion Mass Spectroscopy (SIMS) measurements, type of impurity atoms and their density and uniformity with respect to thickness were measured. In this way we are sure that variation of impurity atoms such as Si, Te, Sn and Ge indicates that epilayers were formed uniformly and it demonstrated that the LPE growth was a suitable way to obtain a good quality of epitaxy layers. Amount of composition parameter x in the compound semiconductor AlxGa1-xAs was... 

The effect of milling time on the magnetic properties of FINEMET amorphous ribbons has been investigated using X-ray diffraction, Mössbauer spectroscopy, thermo-magnetic measurements, transmission electron microscopy and SQUID magnetometery. Ribbons were melt-spun at a wheel speed of 38 ms-1 and then mechanically milled for different periods up to 45 min. The results showed that the partially crystallization of the amorphous powder occurs during milling. TEM observations confirmed the formation of small volume fraction of the crystalline phase with ∼9 nm crystallite size in the amorphous matrix for the ribbon milled for 45 min. Thermo-magnetic measurements indicated the enhancement of the... 

We performed density functional calculations aimed at identifying the atomistic and electronic structure origin of the valence and conduction band, and band gap tunability of halide perovskites ABX3 upon variations of the monovalent and bivalent cations A and B and the halide anion X. We found that the two key ingredients are the overlap between atomic orbitals of the bivalent cation and the halide anion, and the electronic charge on the metal center. In particular, lower gaps are associated with higher negative antibonding overlap of the states at the valence band maximum (VBM), and higher charge on the bivalent cation in the states at the conduction band minimum (CBM). Both VBM orbital... 

According to recent studies, Cu–Zr and Ni–Zr binary alloying systems are very similar based on known glass-forming ability criteria, however, they exhibit significant difference in glass-forming ability in practice. In this work, local atomic structures of Cu–Zr and Ni–Zr metallic glasses are studied by molecular dynamics simulation to explain the source of mentioned difference. The total and partial distribution functions, coordination number and voronoi analysis are utilized to characterize the local atomic structures around Zr, Ni and Cu atoms. It was found that the local environment around Zr atoms is almost similar in both systems. The difference in the atomic structure in these systems... 

Controlled growth of atomic monolayers of IV-VII transition metal dichalcogenides (TMDs) has provided unprecedented opportunities to fabricate modern optoelectronic nanodevices. However, synthesis of large-area and high quality two-dimensional TMDs is still challenging. We have synthesized WS2 and MoS2 nanosheets by atmospheric pressure chemical vapor deposition (APCVD) at wide-range of processing conditions. The nanostructures were analyzed by optical and confocal microscopy, atomic force microscopy, Raman spectroscopy, and X-ray diffraction to determine the thickness, lateral size and structure of the deposits. Through designing and performing of a set of controlled experiments as well as... 

In this paper, a hierarchical multi-scale technique is developed to investigate the thermo-mechanical behavior of nano-crystalline structures in the presence of edge dislocations. The primary edge dislocations are generated by proper adjustment of atomic positions to resemble discrete dislocations. The interatomic potential used to perform atomistic simulation is based on the Finnis-Sinclair embedded-atom method as many-body potential and, the Nose-Hoover thermostat is employed to control the effect of temperature. The strain energy density function is obtained for various representative volume elements under biaxial and shear loadings by fitting a fourth order polynomial in the atomistic... 

In this work, a GaN-based quantum well LED is theoretically analyzed in a multi-layer structure composed of a quantum well embedded in a waveguide core surrounded by photonic crystal slab and a sapphire substrate. The electromagnetic eigenmodes are obtained throughout above structure via revised plane wave-scattering matrix method. The omnidirectional transmission and reflection are investigated for both TE and TM polarizations from diffraction channels in Ewald construction. Then, we introduced angular power density and calculated radiative modes extraction efficiency. All structural parameters, such as lattice geometry, lattice constant, photonic crystal thickness and filling factor, are... 

Low power operation and high speed have always been desirable in applications such as data processing and telecommunications. While achieving these two goals simultaneously, however, one encounters the well-known powerbandwidth trade-off. This is here discussed in a typical bistable switch based on a two-dimensional photonic crystal with Kerr type nonlinearity. The discussion is supported by the nonlinear finite difference time domain (FDTD) simulation of a direct coupled structure with a home-developed code. Two cases of working near resonant and off- resonant are simulated to compare the power and the speed of the device in the two cases. It is shown that working nearresonance reduces the... 

Recently, aluminum titanate (Al2TiO5)-based nanostructures have been proved to serve as an efficient photocatalytic material with satisfactory photodegradation capacity. In this study, the citrate sol–gel method was used to synthesize these nanostructures and inspect the significant impacts of nitrogen-doping-originated crystalline defects on their photocatalytic performance in some details for the first time. The results indicated that the penetration of nitrogen atoms into AT crystal lattice, depending on the nitriding time and temperature, can induce a great deal of the residual stress and result in propagating the existing cracks and breaking down the particles. The XPS and FTIR results... 

We have investigated the piezoelectric response of the hydrogenated graphene oxide (H-G-SiO2) stacks both experimentally and theoretically. The piezoresponse force microscopy method and density-functional theory (DFT) calculations were used to study the piezoresponse effect of this structure from both experimental and computational point of views. A mono-layer graphene, made by chemical vapour deposition method, is deposited on Si/SiO2 substrate and its surface is then functionalized with hydrogen atoms. The vertical piezoresponse, observed by piezoresponse force microscopy, is measured to be about 2146 pC N-1, that is comparable to the reported state of the art piezoelectric materials such... 

The present research sheds new light on the development of a triple-cation quasi-two-dimensional (2D) perovskite family with the general formula of (S1−xS′x)2[Cs0.05(FA1−xMAx)0.95]3Pb4(I1−xBrx)13, in which two spacers, namely 5-ammonium valeric acid iodide (S) and tetra-n-octylammonium bromide (S′) were simultaneously incorporated. Morphology, crystal structure, optical properties, photovoltaic performance, and internal resistances of such compound were systemically studied in comparison with an analogous single-cation 2D counterpart (i.e. (S)2(FA)3Pb4I13) as a reference. X-ray diffraction set forth that the films deposited based upon these compounds had a 2D perovskite crystal structure... 

Herein, we report the synthesis, characterization and combined structural and full computational analysis of noncovalent interactions in a new hydrazine ligand and its two chlorido- and endo-nitrito-rhenium(I) tricarbonyl complexes. The analysis of crystal structures has been accompanied by comprehensive computational studies of the noncovalent interactions utilizing the quantum theory of atoms in molecules (QTAIM), natural bond orbitals (NBO), independent gradient model (IGM), and electron localization function (ELF) to shed light on the nature of the interactions. On the other hand, comprehensive energy decomposition analysis (EDA) by extended transition state coupled with natural orbitals... 

Faujasite (X, Y) zeolites are considered the main and important catalysts in hydrorefining processes. In order to obtain zeolites with higher acidity and volume of mesopores, post-synthesis modification, dealumination by different pickling techniques (using ethylenediamine tetraacetic acid [EDTA] chelating agent), and thermal treatment (calcination) were employed. The dealumination process led to the removal of the aluminum atoms from the zeolite structure and a rise in acidity while maintaining the zeolite crystalline lattice. X-ray diffraction (XRD), atomic absorption spectrometry (AAS), Fourier-transform infrared (FT-IR), field-emission scanning electron microscopy (FE-SEM),...