Browsing by Title
Now showing items 89-108 of 6306
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Ab initio calculation of structural, electronic and phonon properties of ZrRu and ZrZn in B2 phase
(ELSEVIER SCIENCE BV, 2011)The structural, electronic and dynamic properties of cesium chloride, ZrRu and ZrZn were studied by employing an ab initio pseudopotential method and a linear response scheme, within the generalized gradient approximation. ... -
An ab initio constant-pressure study of pressure-induced phase transition of MgSe
(EDP SCIENCES S A, 2008)We study the pressure-induced phase transition of MgSe using a constant-pressure ab initio technique and. find that the rocksalt-structured MgSe transforms into a FeSi-type structure. Furthermore, we. find that this phase ... -
Ab Initio Molecular Dynamics Simulation of Pressure-Induced Phase Transition in MgS
(MAIK NAUKA/INTERPERIODICA/SPRINGER, 2017)Pressure-induced phase transition in MgS is studied using a constant pressure ab initio molecular dynamics method, and a solid evidence of existence of its high-pressure phase is provided. As predicted by total energy ... -
Ab initio molecular dynamics study of pressure-induced phase transformation in KCl
(ELSEVIER SCIENCE BV, 2010)We carry out an ab initio constant pressure molecular dynamics technique to study the pressure-induced phase transition in KCl. A phase transformation from the rocksalt structure to the CsCl type structure is successfully ... -
An ab initio Study of Cr and Mn Doped MAX Phase TiMSiB
(Institute of Electrical and Electronics Engineers Inc., 2019)MAX phases, which are widely studied experimentally and theoretically, have general formula of M(n1)AXn, where M is transition metals, A is A group element and X is C and N. In this study, the structural, mechanical and ... -
Ab initio study of structural and electronic properties of SinC5-nH8 (n=0-5) series: Probing the 2D to 3D structural transition
(ELSEVIER SCIENCE SA, 2018)In this study, we studied the structural and electronic properties in the SinC5-nH8 (n = 0-5) series using ab initio calculations. We performed global minimum and low-lying isomers search for the C5H8 , SiC4H8 , Si2C3H8 , ... -
Ab initio study of structural, electronic and dynamical properties of MgAuSn
(SPRINGER, 2007)The structural and electronic properties of MgAuSn in the cubic AlLiSi structure have been studied, using density functional theory within the local density approximation. The calculated lattice constant for MgAuSn is found ... -
An ab initio study on the investigation of structural, electronic, mechanical and lattice dynamical properties of the M(2)AX type MAX phases Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds
(IOP PUBLISHING LTD, 2017)The hypothetical Sc2AlB0.5C0.5, Sc2AlB0.5N0.5 and Sc2AlC0.5N0.5 compounds are M(2)AX type MAX phases referred to as #211 and have hexagonal crystal structure which conforms to P6(3)/mmc space group. These compounds have ... -
Ab initio/DFT calculations of tert-butyl ammonium salt of O,O '-dibornyl dithiophosphate
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)O,O'-dibornyl dithiophosphate has been synthesized by the reaction of P2S5 and borneol in toluene. Fourier Transform Infrared spectra (FT-IR) of the title compound are measured. The molecular geometry, vibrational frequencies, ... -
Ab Inıtıo Study Of Phonon Dıspersıon And Elastıc Propertıes Of L1(2) Intermetallıcs Ti3al And Y3al
(WORLD SCIENTIFIC PUBL CO PTE LTD, 2013)In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L1(2)( Cu3Al) phase are studied by performing first- principles calculations within the generalized gradient approximation. The calculated ... -
AB Sürecinde Türkiye'nin İnsan Hakları ve Milli Kimlik İkilemi
(2017)Dünya genelinde insan hakları politikaları alanında yaşanan hararetli tartışmalar, özellikle postHelsinki döneminde Türkiye'de de kamuoyunu çokça meşgul etmektedir. Tartışmaların merkezinde insan haklarını geliştirme ve ... -
An Ab-initio Study of Structural and Electronic Properties of CaTe under High Pressure
(MAIK NAUKA/INTERPERIODICA/SPRINGER, 2019)The crystal structure of the CaTe compound is studied up to 150 GPa under high hydrostatic pressure using the density functional theory (DFT) with the generalized gradient approximation (GGA). Pressure-volume relationships, ... -
Ab-initio study of structural, electronic, elastic, phonon properties, and phase transition path of sodium selenite
(Elsevier B.V., 2020)The effects of pressure on structural, elastic, electronic, and vibrational properties of NaSe are studied using the SIESTA method. The dimensionless ratio, bulk modulus, elastic constants, Shear and Young modulus, and ... -
Ab-initio study of the structural, electronic, elastic and vibrational properties of HfX (X = Rh, Ru and Tc)
(TAYLOR & FRANCIS LTD, 2017)The structural, elastic, electronic and phonon properties of HfX (X = Rh, Ru and Tc) in the caesium-chloride phase have been investigated using the density functional theory within the generalized gradient approximation. ... -
Ab-initio study of the structural, electronic, elastic and vibrational properties of the intermetallic Pd3V and Pt3V alloys in the L1(2) phase
(KOREAN INST METALS MATERIALS, 2014)Pseudopotential plane-wave method based on density functional theory within the generalized gradient approximation for the exchange-correlation potential has been applied to study the structural, electronic, elastic and ... -
ABD ve Kanada'da Sosyal Bilgiler Eğitimi Alanındaki Tezlerin Değerlendirilmesi
(2016)Bu araştırmanın amacı; sosyal bilgiler eğitimi ile ilgili ABD ve Kanada'da hazırlanmış tezlerin değerlendirilmesidir. Araştırma analitik araştırma modelindedir. Araştırma verileri doküman inceleme kullanılarak elde edilmiştir. ... -
Abdominal girth has a strong correlation with ultrasound-estimated epidural depth in parturients: a prospective observational study
(SPRINGER JAPAN KK, 2019)BackgroundPreprocedural ultrasound examination of vertebral column guides to locate desired intervertebral space and provides a prevision of needle trajectory and estimated needle depth in parturients. The objective of ... -
Absolute Matrix Summability Factors of Fourier Series with Quasi-f-Power Increasing Sequences
(Elsevier B.V., 2018)In this paper, we have generalized a main theorem dealing with quasi-f-power increasing sequence to |A,?n|k summability method by using Fourier series. © 2018 Elsevier B.V. -
ABSTRACT KOROVKIN TYPE THEOREMS ON MODULAR SPACES BY A-SUMMABILITY
(INST MATHEMATICS, AS CR, 2018)Our aim is to change classical test functions of Korovkin theorem on modular spaces by using A-summability. -
The Abundant and Wide-Spread Species of Algae in the Algal Flora of the Lower Euphrates Basin Wetlands
(CENTRAL FISHERIES RESEARCH INST, 2011)The research on the algae of the Lower Euphrates Basin of the South East Anatolian Region was done between November 2001 and August 2003 at twenty one stations each, on four different habitats (plankton, epipelon, epifithon, ...
