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Chinese Journal of Structural Chemistry 2017年第3期36卷 387-395页

作者： MEYSAM Najafi young researchers and elite club Kermanshah BranchIslamic Azad University Kermanshah Iran

In order to develop a sensor for the detection of toxic H_2S molecule,the interactions of C–NT and CSi–NT with H_2S molecule were investigated by density functional theory calculations. The effects of F functionalization and water on the adsorption of H_2S gas on C–NT and CSi–NT surfaces were investigated. The studied nanotubes can interact with the H_2S molecule effectively and so adsorptions of H_2S on studied nanotubes are exothermic and possible from the energetic viewpoint. Replacing the C atoms of C–NT with Si atoms may be a good strategy for improving the sensitivity of C–NT towards H_2S. F functionalization and water cause an increase and decrease in the absolute adsorption energy（Ead） values of H_2S on the studied nanotubes,respectively. There are good linearity dependencies between Ead and orbital energy values of studied nanotubes. The Ead and orbital energy values of studied nanotubes can be considered as important parameters to propose suitable nanotubes with increased potential of H_2S adsorption.

关键词： DFT water nanotube H_2S functionalization

Studies on the Ability of Carbon Nanotube(5,5) as Drug Carrier and Anticancer Properties of Benzylthio-indolyl-triazol-amine Derivatives

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Chinese Journal of Structural Chemistry 2017年第10期36卷 1679-1684页

作者： MEYSAM Najafi young researchers and elite club Kermanshah Branch Islamic Azad University Kermanshah Iran

The anticancer activities of synthesized benzylthio-indolyl-triazol-amine derivatives 1a^1c were investigated via theoretical scales. The experimental results show that derivative 1a has the highest anticancer activity, and 1c has the lowest one. The interactions of 1a^1c with C-nanotube（5,5） were investigated. Also the quantum molecular descriptors of derivatives 1a^1c were calculated and the results show that they can interact with C-nanotube（5,5） effectively. The adsorptions of 1a^1c on C-nanotube（5,5） surface were exothermic and experimentally possible from the energetic viewpoint. The results indicated that ΔEad and ΔGad values of derivative 1a on C-nanotube（5,5） were higher than those of the corresponding derivatives 1b and 1c, so 1a has the highest ｜μ｜, ω and ｜？N｜ values and the lowest value, and the trends of theoretical anticancer activities of 1a^1c are similar to the experimental values successfully.

关键词： benzylthio-indolyl-triazol-amine adsorption energy nanotube anticancer and chemical potential

Interacting viscous dark energy in a Bianchi type-Ⅲ universe

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Research in Astronomy and Astrophysics 2014年第9期14卷 1121-1134页

作者： Hassan Amirhashchi young researchers and elite club Mahshahr Branch Islamic Azad University Mahshahr Iran

We study the evolution of the equation of state of viscous dark energy in the scope of Bianchi type III space-time. We consider a case where the dark energy is minimally coupled to the perfect fluid, as well as in direct interaction with it. The viscosity and the interaction between the two fluids are parameterized by constants 40 and σ, respectively. We have made a detailed investigation of the cosmological implications of this parametrization. To differentiate between different dark energy models, we have performed a geometrical diagnostic by using the statefinder pair {s, r}.

关键词： Bianchi type-III models -- dark energy -- statefinder

Ultra-Low Threshold Optical Bistability and Multi-Stability in Dielecrtric Slab Doped with Semiconductor Quantum Well

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Communications in Theoretical Physics 2016年第7期65卷 129-132页

作者： R.Nasehi young researchers and elite club Central Tehran Branch Islamic Azad University

A scheme for switching of the optical bistability(OB) and multi-stability(OM) in a dielectric slab doped with a three-level ladder-configuration n-doped semiconductor quantum well is simulated. It is shown that the bistable behavior of the system in dielectric slab can be controlled via amplitude or relative phase of applied fields. This optical system may provide some new possibilities for test the switching process.

关键词： optical bistability quantum well dielectric slab

Nonlinear Dust Acoustic Waves in a Magnetized Dusty Plasma with Trapped and Superthermal Electrons

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Plasma Science and Technology 2014年第6期16卷 545-551页

作者： S.Ahmadi ABRISHAMI M.Nouri KADIJANI Islamic Azad University Torbateheydarieh Branch Torbateheydarieh young researchers and elite club Kashmar Branch Islamic Azad University

In this work, the effects of superthermal and trapped electrons on the oblique propa- gation of nonlinear dust-acoustic waves in a magnetized dusty （complex） plasma are investigated. The dynamic of electrons is simulated by the generalized Lorentzian （k） distribution function （DF）. The dust grains are cold and their dynamics are simulated by hydrodynamic equations. Using the standard reductive perturbation technique （RPT） a nonlinear modified Korteweg-de Vries （mKdV） equation is derived. Two types of solitary waves; fast and slow dust acoustic solitons, exist in this plasma. Calculations reveal that compressive solitary structures are likely to propagate in this plasma where dust grains are negatively （or positively） charged. The properties of dust acoustic solitons （DASs） are also investigated numerically.

关键词： dust acoustic wave trapped electrons superthermal electrons kappa distribution function

A HYBRID VISCOSITY APPROXIMATION METHOD FOR A COMMON SOLUTION OF A GENERAL SYSTEM OF VARIATIONAL INEQUALITIES,AN EQUILIBRIUM PROBLEM,AND FIXED POINT PROBLEMS

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Journal of Computational Mathematics 2023年第1期41卷 153-172页

作者： Maryam Yazdi Saeed Hashemi Sababe young researchers and elite club Malard BranchIslamic Azad UniversityMalardIran Department of mathematical and statistical sciences University of AlbertaEdmontonCanada Young Researchers and Elite ClubMalard BranchIslamic Azad UniversityMalardIran

In this paper,we introduce a new iterative method based on the hybrid viscosity approximation method for finding a common element of the set of solutions of a general system of variational inequalities,an equilibrium problem,and the set of common fixed points of a countable family of nonexpansive mappings in a Hilbert *** prove a strong convergence theorem of the proposed iterative scheme under some suitable conditions on the ***,we apply our main result for ***,we give two numerical results to show the consistency and accuracy of the scheme.

关键词： Equilibrium problem Iterative method Fixed point Variational inequality

Hydroxyapatite/alumina nanocrystalline composite powders synthesized by sol–gel process for biomedical applications

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International Journal of Minerals,Metallurgy and Materials 2014年第10期21卷 1033-1036页

作者： S.Khors M.H.Fathi S.Salehi S.Amirkhanlou young researchers and elite club Najafabad Branch Islamic Azad University Department of Materials Engineering Isfahan University of Technology German Textile Research Centre North-West (DTNW) University of Duisburg-Essen young researchers and elite club Behshahr Branch Islamic Azad University

Hydroxyapatite/alumina nanocrystalline composite powders needed for various biomedical applications were successfully synthe- sized by sol-gel process. Structural and morphological investigations of the prepared composite powders were performed using X-ray dif- fractometer （XRD）, scanning electron microscopy （SEM）, X＇Pert HighScore software, and Clemex Vision image analysis software. The re- suits show that the crystallite size of the obtained composite powders is in the range of 25 to 90 nm. SEM evaluation shows that the obtained composite powders have a porous structure, which is very useful for biomedical applications. The spherical nanoparticles in the range of 60 to 800 nm are embedded in the agglomerated clusters of the prepared composite powders.

关键词： nanocrystalline materials biomaterials hydroxyapatite alumina sol-gel process nanostructures

Spin-valley Hall conductivity of doped ferromagnetic silicene under strain

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Chinese Physics B 2017年第1期26卷 410-416页

作者： Bahram Shirzadi Mohsen Yarmohammadi Department of Physics Razi University Kermanshah Iran young researchers and elite club Kermanshah Branch Islamic Azad University Kermanshah Iran

The spin-valley Hall conductivity（SHC-VHC） of two-dimensional material ferromagnetic graphene＇s silicon analog,silicene, is investigated in the presence of strain within the Kubo formalism in the context of the Kane–Mele *** Dirac cone approximation has been used to investigate the dynamics of carriers under the strain along the armchair（AC） direction. In particular, we study the effect of external static electric field on these conductivities under the *** the presence of the strain, the carriers have a larger effective mass and the transport decreases. Our findings show that SHC changes with respect to the direction of the applied electric field symmetrically while VHC increases ***, the reflection symmetry of the structure has been broken with the electric field and a phase transition occurs to topological insulator for strained ferromagnetic silicene. A critical strain is found in the presence of the electric field around 45%. SHC（VHC） decreases（increases） for strains smaller than this value symmetrically while it increases（decreases） for strains larger than one.

关键词： ferromagnetic silicene Kubo formalism strain spin-valley conductivity

Transient thermal behavior of radial fins of rectangular,triangular and hyperbolic profiles with temperature-dependent properties using DTM-FDM

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Journal of Central South University 2017年第3期24卷 675-682页

作者： Sobhan Mosayebidorcheh Mohammad Rahimi-Gorji D.D Ganji Taha Moayebidorcheh O Pourmehran M.Biglarian young researchers and elite club Najafabad BranchIslamic Azad UniversityNajafabadIran young researchers and elite club Gorgan BranchIslamic Azad UniversityGorganIran Mechanical Engineering Department Babol University of TechnologyBabolMazandaranIran Department of Mechanical Engineering Sharif University of TechnologyTehranIran

This work focuses on transient thermal behavior of radial fins of rectangular,triangular and hyperbolic profiles with temperature-dependent properties.A hybrid numerical algorithm which combines differential transformation(DTM) and finite difference(FDM) methods is utilized to theoretically study the present *** and FDM are applied to the time and space domains of the problem,*** accuracy of this method solution is checked against the numerical ***,the effects of some applicable parameters were studied *** a broad range of governing parameters are investigated,the results could be useful in a number of industrial and engineering applications.

关键词： transient thermal behavior radial fin thermal conductivity temperature-dependent property hybrid differential transformation-finite difference (DTM-FDM)

Relativistic effect of pseudospin symmetry and tensor coupling on the Mie-type potential via Laplace transformation method

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Chinese Physics B 2014年第12期23卷 44-49页

作者： M.Eshghi S.M.Ikhdair young researchers and elite club Central Tehran Branch Islamic Azad University Department of Physics Faculty of Science An-Najah National University

A relativistic Mie-type potential for spin-1/2 particles is studied. The Dirac Hamiltonian contains a scalar S（r） and a vector V（r） Mie-type potential in the radial coordinates, as well as a tensor potential U（r） in the form of Coulomb potential. In the pseudospin（p-spin） symmetry setting Σ = Cps and Δ = V（r）, an analytical solution for exact bound states of the corresponding Dirac equation is found. The eigenenergies and normalized wave functions are presented and particular cases are discussed with any arbitrary spin–orbit coupling number κ. Special attention is devoted to the caseΣ = 0 for which p-spin symmetry is exact. The Laplace transform approach（LTA） is used in our calculations. Some numerical results are obtained and compared with those of other methods.

关键词： Dirac equation Mie-type potential Laplace transform approach tensor interaction p-spin symmetry