Search results for "engineering"
showing 10 items of 44231 documents
Pressure-induced instability of the fergusonite phase of EuNbO4 studied by in situ Raman spectroscopy, x-ray diffraction, and photoluminescence spect…
2020
In this article, we present high-pressure experimental investigations on EuNbO4, an interesting technologically important material, using synchrotron based x-ray powder diffraction, Raman spectroscopy, and europium photoluminescence measurements up to 39.2, 31.6, and 32.4 GPa, respectively. All three techniques show the stability of the ambient monoclinic phase until 20 GPa. Beyond that, a pressure-induced structural phase transition takes place with the coexistence of two phases over a wide pressure range. The structure of the high-pressure phase has been determined as orthorhombic (space group: Imma) with a volume discontinuity of nearly 9% at the transition indicating the nature of trans…
Elastic properties of the sigma W-Re phase: A first principles investigation
2017
Abstract We perform density functional theory (DFT) calculations to obtain the formation enthalpy and six independent elastic constants for the 32 possible occupations of the five non-equivalent sites of the σ -phase. The obtained results suggest linear correlation between bulk modulus and Re concentration and between shear modulus and formation enthalpy. The results are used to parameterize a sublattice model with ideal mixing on each sublattice for the free energy and elastic constants. The model allows one to predict the equilibrium composition on each sublattice and hence elastic constants as a function of global Re concentration and temperature of the W-Re alloy.
Long-term evolution of luminescent properties in CdI2 crystals
2016
Fresh and aged melt-grown or gas-phase grown CdI2 crystals are studied by means of low-temperature photoluminescence spectroscopy. Noticeable transformations of emission spectra are observed after long-term aging. The formation of nanostructures containing cadmium oxide and cadmium hydroxide as well as the changes in local surrounding of iodine atoms and the possible growth of polytypic modifications of CdI2 are taken into account when considering the diversity of optical spectra.
Experimental investigation on different rainfall energy harvesting structures
2018
In this paper proposes an experimental comparison between different rainfall harvesting devices and the study of the corresponding electrical rectifying circuit. More in detail, three harvesting structures are considered: the cantilever, the bridge and the floating circle. For each of the proposed structure, different waveforms have been acquired and discussed. The processed data have been compared in order to suggest the best choice for the rectifying circuit, from the simplest one to the most endorsed in the technical literature.
High pressure crystal structures of orthovanadates and their properties
2020
Pressure-induced phase transitions in orthovanadates have led to interesting physical phenomena. The observed transitions usually involve large volume collapses and drastic changes in the electronic and vibrational properties of the materials. In some cases, the phase transitions implicate coordination changes in vanadium, which has important consequences in the physical properties of vanadates. In this Perspective, we explore the current knowledge of the behavior of MVO4 vanadates under compression. In particular, we summarize studies of the structural, vibrational, and electronic properties and a few illustrative examples of high-pressure research in the compounds of interest are discusse…
Insights into Intrinsic Defects and the Incorporation of Na and K in the Cu2ZnSnSe4 Thin-Film Solar Cell Material from Hybrid-Functional Calculations
2016
We have performed density functional theory calculations using the HSE06 hybrid functional to investigate the energetics, atomic, and electronic structure of intrinsic defects as well as Na and K impurities in the kesterite structure of the Cu2ZnSnSe4 (CZTSe) solar cell material. We found that both Na and K atoms prefer to be incorporated into this material as substitutional defects in the Cu sublattice. At this site highly stable (Na–Na), (K–K), and (Na–K) dumbbells can form. While Na interstitial defects are stable in CZTSe, the formation of K interstitial defects is unlikely. In general, the calculated formation energies for Na-related defects are always lower compared to their K-related…
Irradiation effects in CaF2probed by Raman scattering
2016
The formation conditions and dynamics of Ca colloids and point defects that appear in irradiated single crystals of CaF2 were investigated by Raman spectroscopy. The intensity changes in the Raman spectra because of the presence of different concentrations of point defects and Ca colloids that emerged in CaF2 after irradiation with 2.2 GeV Au ions were used to study their distribution and stability under illumination with three laser wavelengths (473, 532 and 633 nm) at different output powers (2 to 200 mW). A damage saturation at a fluence of 6 × 1011 ion cm−2 was observed. The dependence of the spectral changes on the ion fluence can be described by a core/halo damage cross-section model.…
Comparative Theoretical Analysis of BN Nanotubes Doped with Al, P, Ga, As, In, and Sb
2013
SUMMARY AND CONCLUDING REMARKS We have performed large-scale first-principles calculations ofthe electronic structure of (5,5) boron nitride nanotubescontaining the following substitutional impurity atoms: Al, P,Ga, As, In, and Sb. Calculations have been performed using thetwo methods: (i) linear combination of atomic orbitals(LCAO) with the atomic-centered Gaussian-type functions asa basis set and (ii) linearized augmented cylindrical wave(LACW) accompanied with the local density functional andmuffin-tin approximations for the electronic potential. In arelatively good qualitative agreement, both methods predict lowformation energies and, thus, relative stability of point defectsthat are assoc…
Analytical description of solid particles kinematics due to a fluid flow and application to the depiction of characteristic kinematics in cold sprayi…
2017
Abstract In several multiphase flow applications such as fluidization, thermal spraying, atomization manufacturing and so on, the Newton's law is widely enacted to formulate the particle/fluid kinematic interaction and then to compute particles kinematics. This paper provides analytical solutions of the Newton's law in its time-dependent formulation or simplified formulation, the latter being a reduction of the time dependent problem into a spatial description of the particle motion. It was found that the velocity solution is strictly similar in both cases so that the simplified formulation is viable. The W_ 1 branch of the Lambert's function yields the analytical particle residence time an…
Numerical Procedures and their Practical Application in PV Module Analyses. Part IV: Atmospheric Transparency Parameters - Application
2020
Abstract The presented article relates to aspects of PV module testing using natural sunlight in outdoor conditions. It is a continuation of the article Part III: parameters of atmospheric transparency - determining and correlations. This article discusses the practical application of the indexes: atmosphere purity - k Tm , diffused component content - k s/o , beam clear sky index - K b - in testing various modules in outdoor conditions. Their influence on the conversion of modules made from various absorbers and various technologies is demonstrated. Their practical application in module testing in outdoor conditions is described and it - has been demonstrated that the results of the analys…