نتایج جستجو برای: thisapproach has highly functional properties

تعداد نتایج: 3985211  

ای. یا. شرمن, , سی. آمبروش, ,

  We review theoretical investigations of high-temperature superconductors which have been performed by density functional theory. The main subject of our study is the Hg-based family of the superconducting cuprates, which demonstrates unusual and still puzzling properties. We show that the first-principles approach is able to describe the effects of chemical doping and pressure on the structur...

2010
Jinhui Wang Xinian Zuo Yong He

In the past decade, resting-state functional MRI (R-fMRI) measures of brain activity have attracted considerable attention. Based on changes in the blood oxygen level-dependent signal, R-fMRI offers a novel way to assess the brain's spontaneous or intrinsic (i.e., task-free) activity with both high spatial and temporal resolutions. The properties of both the intra- and inter-regional connectivi...

Iron aluminide intermetallic compound, including compounds that have great features is that it's so great properties, due to its increasing use in industry is different. In thiswork, structural and dynamic properties of FeAl compounds including the structure of energybands, density of states, phonon and thermal properties in two-phase structures regularly evaluated and calculated. Calculations ...

In this Paper, the structural, electronic and optical properties of TiO2 compound are investigated and calculated.The calculations were performed using the full potential linear augmented plane wave (PP-PW) method within density functional theory (DFT)and using the Wien2k package.Structural properties such as lattice constants, bulk modulus and compressibility of this combination are calculated...

پایان نامه :0 1374

having conducted the experiment and analysed the data, the researcher computed the groups mean scores and variances for the test relating to the research question. as the final atep, a t-test was conodonted for the hypothesis. as noted earlier, the significance level was determined at .05 and .01 respectively. the observed t-value was higher than the critical t-value at. 5 and .01 levels. conse...

Journal: :Journal of Physics: Conference Series 2009

Clusters play important role for understanding and transferring microscopic to macroscopic properties.Geometric and electron properties of Small nickel clusters up to the tetramer has been investigated by Density Functional Theory (DFT). Raising the number of nickel clusters atoms were indicated decreasing the average equilibrium (Ni-Ni) distance of atoms and also the binding energy of per atom...

H. Rouhi, M. Faghihnasiri M. Mirnezhad R. Ansari

Despite its numerous potential applications, two-dimensional monolayer graphyne, a novel form of carbon allotropes with sp and sp2 carbon atoms, has received little attention so far, perhaps as a result of its unknown properties. Especially, determination of the exact values of its elastic properties can pave the way for future studies on this nanostructure. Hence, this article descr...

Background: The general tendency of society in the use of natural extracts as antimicrobial, antioxidant and preservative compounds has increased in recent years. Objective: The purpose of this study is to improve the functional properties of two native plants (Hyssopus officinalis and Eryngium caeruleum M.Bieb) of the country that was accomplished by comparing the increasing stability of the a...

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