نتایج جستجو برای: lattice energy

تعداد نتایج: 746770  

Journal: :international journal of nanoscience and nanotechnology 2014
m. khorasani-motlagh h. vahidi m. noroozifar

the perovskite-type oxides strontium-substituted lanthanum nickelate (lsno) were prepared by a coprecipitation method in the present of octanoic acid as surfactant. the phase composition, morphology,lattice parameters and size of nanoparticles in these materials were characterized through fourier transform infrared spectroscopy (ft-ir), x-ray diffraction (xrd), scanning electron microscopy (sem...

رستم گل‌سرخ تبار, , سیدجواد هاشمی‌فر, , هادی اکبرزاده, ,

 We investigated the structural, magnetic and electronic properties of NixCr1-x alloy in the range 0.125≤ x ≤0.875 by using FP-LAPW method to solve Kohn-Sham equations. In structural study, we calculated the formation energy, lattice parameter and bulk modulus for bcc and fcc structures within ferromagnetic, ferromagnetic and paramagnetic phases. Our results indicate that the system preference ...

Parvan, , Esmaeili Ghodsi, , Mazloom, , Safari, ,

In this research, Zn0.97Cu0.03O nanoparticles are prepared by sol-gel method using various stabilizers (Mono, Di, and Tri-ethanolamine). The effect of stabilizers on the structural, morphological and optical properties of the nanoparticles were investigated. Study of X-ray diffraction pattern shows the hexagonal wurtzite structure of samples. The crystallite size, strain, stress, and deformatio...

2004
C. T. Chantler C. Q. Tran D. J. Cookson

We used the basis of the x-ray extended range technique to measure the lattice spacing of LaB6 standard powder samples relative to silicon 640b standard powder samples with an accuracy of 5310−5 Å. Measurements were not constrained to one energy but were carried out over a 5 keV–20 keV energy range. These measurements used powder diffraction to determine the synchrotron beam energy, to diagnose...

2012
S. V. Kozyrev I. V. Volovich

In the standard approach to lattice proteins the models based on nearest neighbor interaction are used. In this kind of models it is difficult to explain the existence of secondary structures — special preferred conformations of protein chains. In the present paper a new lattice model of proteins is proposed which is based on non-local cooperative interactions. In this model the energy of a con...

Journal: :Acta Crystallographica Section A Foundations and Advances 2014

پایان نامه :وزارت علوم، تحقیقات و فناوری - دانشگاه سیستان و بلوچستان 1390

a one dimensional dynamic model for a riser reactor in a fluidized bed catalytic cracking unit (fccu) for gasoil feed has been developed in two distinct conditions, one for industrial fccu and another for fccu using various frequencies of microwave energy spaced at the height of the riser reactor (fccu-mw). in addition, in order to increase the accuracy of component and bulk diffusion, instanta...

Journal: :journal of sciences islamic republic of iran 0

the high pressure behavior of the structural and electronic properties of kc1 is studied with use of the density functional pseudopotential method within local-density approximation. atzero pressure, the rocksalt phase is found to be lower in energy than cscl structure. however, we predict a phase transition into csci structure at a pressure of about 1.5 gpa. the calculated ground state propert...

Journal: :journal of nanostructures 2015
p. iranmanesh s. saeednia s. rashidi dafeh f. yahyanasab

cd1-xmnxs (x = 0, 0.1, 0.2) nanoparticles, prepared by co-precipitation method under ultrasonic irradiation, were studied by means of x-ray diffraction, scanning electron microscopy, ftir and uv-vis  spectroscopy measurements. the average particle size of nanoparticles from the scanning electron microscopy image is about 20-30 nm. results show that partial substitution of cd by mn leads to a re...

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