Effect of hydrogen doping to mgtih3 perovskite type hydride to enhance hydrogen storage properties

3rd International Symposium on Multidisciplinary Studies and Innovative Technologies, ISMSIT 2019 -- 11 October 2019 through 13 October 2019 -- -- 156063MgTiH3 perovskite type hydride has been investigated for the hydrogen doping effect using the first principles calculation with the Vienna Ab-initio Simulation Package. The hydrogen doping positions have been determined and the hydrogen atoms doped to the optimized MgTiH3 compound. The structural optimizations show that the hydrogen doping results with MgTiH3x (x=3, 6, 8) compounds that are thermodynamically stable. The electronic properties have been studied for MgTiH3 and hydrogen doped MgTiH3x (x=3, 6, 8) compounds. The calculated band structures show that these compounds have metallic character. In addition, the hydrogen storage properties of MgTiH3 and MgTiH3x (x=3, 6, 8) compounds have been investigated and the hydrogen doping to MgTiH3 enhances the hydrogen storage capacity and the hydrogen desorption temperature. This study is the first investigation for hydrogen doping to MgTiH3 perovskite type hydride as known up to date and could be a leading study for the future considerations. © 2019 IEEE.Ahi Evran Üniversitesi, AEU: PYO-KMY.4001.15.001ACKNOWLEDGMENT This work was supported by the Ahi Evran University Research Project Unit under Project No PYO-KMY.4001.15.001

Stakeholder engagement via social media: an analysis of third-party logistics companies [社会媒体下的利益相关者参与：第三方物流企业的分析]

Social media helps firms establish a connection with their stakeholders by mitigating geographic and demographic barriers. Firms using social media can effectively engage in close relationships with their stakeholders. Firms must measure engagement levels to manage such fruitful relationships and develop social media strategies accordingly. Although studies have examined B2C industries’ levels of stakeholder engagement via social media, corresponding research on B2B industries has been limited. Thus, in this study, the relationship between global 3PLs and their stakeholders through social media is examined. The study is based on a content analysis of Facebook posts of 30 global 3PLs analyzed from 1 November 2017 to 31 January 2018. In this paper, original findings for 3PL firms’ social media usage are presented. The findings contribute to social media theory by showing that vivid posts and special day celebration posts strengthen relationships with stakeholders. © 2018, © 2018 Informa UK Limited, trading as Taylor & Francis Group

The mechanical and electronic properties of spinel oxides VX2O4 (X = Mn and Fe) by first principle calculations

We have performed first-principles density functional theory calculations within generalized-gradient approximation to obtain the mechanical properties and the electronic behavior of Vanadium based Spinel Oxides VX2O4 (X=Mn and Fe) which conform Fm-3m space group with 225 space number and are promising good candidates for spintronic applications due to their half-metallic band gaps (Eg=1.71 eV for VFe2O4 and Eg = 0.53 eV for VMn2O4) in the plotted spin-polarized electronic band structure. Also, the calculated negative formation enthalpies indicate that these materials have thermodynamic stability and structural synthesizability. Additionally, the calculated elastic constants by using stress-strain approach indicate mechanical stability of above-mentioned materials. © 2019 Author(s)

First-principles study of structural, elastic, lattice dynamical and thermodynamical properties of GdX (X = Bi, Sb)

WOS: 000277675400001The results are presented of first-principles calculations of the structural, elastic and lattice dynamical properties of GdX (X = Bi, Sb). In particular, the lattice parameters, bulk modulus, phonon dispersion curves, elastic constants and their related quantities, such as Young's modulus, Shear modulus, Zener anisotropy factor, Poisson's ratio, Kleinman parameter, and longitudinal, transverse and average sound velocities, were calculated and compared with available experimental and other theoretical data. The temperature and pressure variations of the volume, bulk modulus, thermal expansion coefficient, heat capacities, Gruneisen parameter and Debye temperatures were predicted in wide pressure (0-50 GPa) and temperature ranges (0-500 K). The plane-wave pseudopotential approach to the density-functional theory within the GGA approximation implemented in VASP (Vienna ab initio simulation package) was used in all computations.Turkish Prime Ministry State Planning Agency [2001K120590]This work was supported by the Turkish Prime Ministry State Planning Agency under Projects No. 2001K120590 and we kindly acknowledge Prof. Dr Suleyman Ozcelik for his financial support

Ultrastructural changes in the circumventricular organs after experimental subarachnoid hemorrhage

Objectives: Circumventricular organs (CVOs) are fine, periventricular, neurotransmitter-rich structures that are devoid of a Blood-brain barrier and are known for their secretory role controlling fluid and electrolyte balance, thirst and even reproduction. Common pathologies of the brain such as trauma or bleeding affect CVOs, and hence their function. However, at what stage of these disease processes are CVOs affected and the time sequence of their recovery is still not clear. The aim of this study was to detect the morphological changes in CVOs using electron microscopy after experimental subarachnoid hemorrhage (SAH). Methods: Experimental SAH was induced by transclival puncture of the basilar artery. Both scanning and transmission electron microscopic examination of the representive sections from each CVO was undertaken. Results: Electron microscopy has shown that after SAH, the cells that form the CVOs exhibit signs of cellular necrosis with margination of the nucleus as well as cytoplasmic, mitochondrial and axonal edema. The subfornicial organ and organum vasculosum lamina terminalis appear to be more vulnerable to the effects of SAH than the median eminence or area postrema. Discussion: Considering the fact that the experimental SAH model we have used is very similar to the momentary rupture of an aneurysm with secondary reflex spasm to seal the hole, it will not be unrealistic to consider that similar effects may also take place in the clinical setting. © 2005 W. S. Maney & Son Ltd

The electronic and optical properties of Zn1-xCaxSe mixed alloys

WOS: 000279899900035We have investigated the structural, electronic, and optical properties of Zn1-xCaxSe ternary alloys using first principles calculations within the plane-wave pseudopotential method. Some basic physical properties, such as lattice constant, bulk modulus, electronic band structures, and optical properties (dielectric functions, refractive index, and energy loss function) were calculated. In addition, the effects of composition x on bulk modulus, band gap, refractive index and dielectric function were calculated. Our results agree well with the available data in the literature. (C) 2010 Elsevier Ltd. All rights reserved.Turkish Prime Ministry State Planning Agency [2001K120590]This work was supported by the Turkish Prime Ministry State Planning Agency under Projects No. 2001K120590

Electronic and thermodynamic properties of lanthanum tetraboride on low-temperature experimental and ab-initio calculation data

*Özışık, Hacı ( Aksaray, Yazar ) *Deligöz, Engin ( Aksaray, Yazar )The characteristics of the electronic and phonon subsystems of lanthanum tetraboride (LaB4) studied using first-principles calculations. The calculated lattice parameters, as well as the positions of atomic, are satisfactorily consistent with the experimental data. The partial densities of states, band structure, Fermi surface, phonon dispersion curve of LaB4 are calculated and analysed. The reliability of the calculation results is confirmed by a satisfactory agreement between the calculated thermodynamic parameters of LaB4 (temperature changes in heat capacity, entropy, Gruneisen parameter and volume modulus) with experimental data