Fracture analysis of concrete using singular fractal functions with lattice beam network and confirmation with acoustic emission study

In the present study singular fractal functions (SFF) were used to generate stress-strain plots for quasibrittle material like concrete and cement mortar and subsequently stress-strain plot of cement mortar obtained using SFF was used for modeling fracture process in concrete. The fracture surface of concrete is rough and irregular. The fracture surface of concrete is affected by the concrete's microstructure that is influenced by water cement ratio, grade of cement and type of aggregate 11-41. Also the macrostructural properties such as the size and shape of the specimen, the initial notch length and the rate of loading contribute to the shape of the fracture surface of concrete. It is known that concrete is a heterogeneous and quasi-brittle material containing micro-defects and its mechanical properties strongly relate to the presence of micro-pores and micro-cracks in concrete 11-41. The damage in concrete is believed to be mainly due to initiation and development of micro-defects with irregularity and fractal characteristics. However, repeated observations at various magnifications also reveal a variety of additional structures that fall between the `micro' and the `macro' and have not yet been described satisfactorily in a systematic manner [1-11,15-17]. The concept of singular fractal functions by Mosolov was used to generate stress-strain plot of cement concrete, cement mortar and subsequently the stress-strain plot of cement mortar was used in two-dimensional lattice model [28]. A two-dimensional lattice model was used to study concrete fracture by considering softening of matrix (cement mortar). The results obtained from simulations with lattice model show softening behavior of concrete and fairly agrees with the experimental results. The number of fractured elements are compared with the acoustic emission (AE) hits. The trend in the cumulative fractured beam elements in the lattice fracture simulation reasonably reflected the trend in the recorded AE measurements. In other words, the pattern in which AE hits were distributed around the notch has the same trend as that of the fractured elements around the notch which is in support of lattice model. (C) 2011 Elsevier Ltd. All rights reserved.

Interstitial Defects Induced Ferroelectricity in Undoped ZnO Nanorods at Room Temperature

A simple approach for obtaining room temperature ferroelectricity in ZnO rod structures at the nanoscale is reported. A systematic comparative study between two kinds of nanorods prepared by different processes reveals the physics behind it. It is observed that ZnO nanorods grown (in-situ) by a sol gel method on platinum substrate show ferroelectric behaviour. On the contrary, ZnO nanorods first grown by a sol gel method and then spin-coated on a platinum substrate (ex-situ) do not demonstrate this kind of feature. X-ray diffraction analysis confirms partially (002) and (100) plane oriented growth of both samples. From photoluminescence (PL) spectral analysis it is interpreted that oxygen vacancies/zinc interstitial defects, which arises from the large lattice mismatch between the Pt substrate and the ZnO nanorods grown thereon, and preferential ZnO growth along 002], can be causes of this type of phenomena. C-V characterization, P-E hysteresis loop along with piezoelectric force microscopy support this observation.

Investigating thermal stability of structural defects and its effect on d(0) ferromagnetism in undoped SnO2

The effect of annealing on structural defects and d(0) ferromagnetism in SnO2 nanoparticles prepared by solution combustion method is investigated. The as-synthesized SnO2 nanoparticles were annealed at 400-800 degrees C for 2 h, in ambient conditions. The crystallinity, size, and morphology of the samples were studied using x-ray diffraction and transmission electron microscopy studies. The annealing results in grain growth due to coarsening as well as reduction in oxygen vacancies as confirmed by Raman spectroscopy, photoluminescence spectroscopy, and x-ray photoelectron spectroscopy. All the as synthesized and annealed samples exhibit room temperature ferromagnetism (RTFM) with distinct hysteresis loops and the saturation magnetization as high as similar to 0.02 emu/g in as-synthesized samples. However, the saturation magnetization is drastically reduced with increasing annealing temperature. Further the presence of singly charged oxygen vacancies (V-o(-) signal at g-value 1.99) is confirmed by electron paramagnetic resonance studies, which also diminish with increasing annealing temperature. The observed diminishing RTFM and simultaneous evidences of diminishing O vacancies clearly indicate that RTFM is driven by defects in oxide lattice and confirms primary role of oxygen vacancies in inducing ferromagnetic ordering in metal oxide semiconductors. The study also provides improved fundamental understanding regarding the ambiguity in the origin of intrinsic RTFM in semiconducting metal oxides and projects their technological application in the field of spintronics. (C) 2013 AIP Publishing LLC.

Optoelectronic Properties of Graphene on Silicon Substrate: Effect of Defects in Graphene

Engineering of electronic energy band structure in graphene based nanostructures has several potential applications. Substrate induced bandgap opening in graphene results several optoelectronic properties due to the inter-band transitions. Various defects like structures, including Stone-Walls and higher-order defects are observed when a graphene sheet is exfoliated from graphite and in many other growth conditions. Existence of defect in graphene based nanostructures may cause changes in optoelectronic properties. Defect engineered graphene on silicon system are considered in this paper to study the tunability of optoelectronic properties. Graphene on silicon atomic system is equilibrated using molecular dynamics simulation scheme. Based on this study, we confirm the existence of a stable super-lattice. Density functional calculations are employed to determine the energy band structure for the super-lattice. Increase in the optical energy bandgap is observed with increasing of order of the complexity in the defect structure. Optical conductivity is computed as a function of incident electromagnetic energy which is also increasing with increase in the defect order. Tunability in optoelectronic properties will be useful in understanding graphene based design of photodetectors, photodiodes and tunnelling transistors.

Defects in LPE-grown beta-barium borate (beta-BaB2O4) thin films

Morphological defects in beta-barium borate (beta-BBO) thin films grown on Sr2+ -doped alpha-BBO substrates by liquid phase epitaxy (LPE) technique were studied by scanning electron micrograph (SEM), atomic force microscopy (AFM) and optical spectroscopy. The present results indicate that the main defects exit in beta-BBO thin films are microcracks and hollow structure. The formation of microcrack is due to the lattice mismatch and the difference of thermal expansion coefficients between substrate and film. The hollow structure might be caused during the combination of islands, which formed in the initial stage. (C) 2006 Elsevier GmbH. All rights reserved.

Theory of defects in amorphous semiconductors

We review the electronic structure of defects in aSi:H, aGaAs and aSi3N4, emphasising in aSi:H the doping mechanism, the evidence that its dangling bond defect has a small electron-lattice coupling and a positive correlation energy, and possible atomic mechanisms for the Staebler-Wronski effect. © 1985.

Fracture of brittle lattice materials: A review

The mechanics of failure for elastic-brittle lattice materials is reviewed. Closed-form expressions are summarized for fracture toughness as a function of relative density for a wide range of periodic lattices. A variety of theoretical and numerical approaches has been developed in the literature and in the main the predictions coincide for any given topology. However, there are discrepancies and the underlying reasons for these are highlighted. The role of imperfections at the cell wall level can be accounted for by Weibull analysis. Nevertheless, defects can also arise on the meso-scale in the form of misplaced joints, wavy cell walls and randomly distributed missing cell walls. These degrade the macroscopic fracture toughness of the lattice. © 2010 Springer Science+Business Media B.V.

Investigation of native defects and property of bulk ZnO single crystal grown by a closed chemical vapor transport method

Hall effect, Raman scattering, photoluminescence spectroscopy (PL), optical absorption (OA), mass spectroscopy, and X-ray diffraction have been used to study bulk ZnO single crystal grown by a closed chemical vapor transport method. The results indicate that shallow donor impurities (Ga and Al) are the dominant native defects responsible for n-type conduction of the ZnO single crystal. PL and OA results suggest that the as-grown and annealed ZnO samples with poor lattice perfection exhibit strong deep level green photoluminescence and weak ultraviolet luminescence. The deep level defect in as-grown ZnO is identified to be oxygen vacancy. After high-temperature annealing, the deep level photoluminescence is suppressed in ZnO crystal with good lattice perfection. In contrast, the photoluminescence is nearly unchanged or even enhanced in ZnO crystal with grain boundary or mosaic structure. This result indicates that a trapping effect of the defect exists at the grain boundary in ZnO single crystal. (C) 2007 Elsevier B.V. All rights reserved.

The bipolar doping of ZnS via native defects and external dopants

By employing first-principle total-energy calculations, a systematic study of the dopability of ZnS to be both n- and p-types compared with that of ZnO is carried out. We find that all the attempted acceptor dopants, group V substituting on the S lattice site and group I and IB on the Zn sites in ZnS, have lower ionization energies than the corresponding ones in ZnO. This can be accounted for by the fact that ZnS has relative higher valence band maximum than ZnO. Native ZnS is weak p-type under S-rich condition, as the abundant acceptor V-Zn has rather large ionization energy. Self-compensations by the formation of interstitial donors in group I and IB-doped p-type ZnS can be avoided when sample is prepared under S-rich condition. In terms of ionization energies, Li-Zn and N-S are the preferred acceptors in ZnS. Native n- type doping of ZnS is limited by the spontaneous formation of intrinsic V-Zn(2-); high efficient n-type doping with dopants is harder to achieve than in ZnO because of the readiness of forming native compensating centers and higher ionization energy of donors in ZnS. (C) 2009 American Institute of Physics. [DOI 10.1063/1.3103585]

A proposal for low cross-talk square-lattice photonic crystal waveguide intersection utilizing the symmetry of waveguide modes

We propose an approach to construct waveguide intersections with broad bandwidth and low cross-talk for square-lattice photonic crystals. by utilizing a vanishing overlap of the propagation modes in the waveguides created by defects which support dipole-like defect modes. The finite-difference time-domain method is used to simulate the waveguide intersection created in the two-dimensional square-lattice photonic crystals. Over a bandwidth of 30 nm with the center wavelength at 1300 nm, transmission efficiency above 90% is obtained with cross-talk below -30 dB. Especially, we demonstrate the transmission of a 500-fs pulse at 1.3 Am through the intersection, and the pulse after transmission shows very little distortion while the cross-talk remains at low level meantime. (c) 2006 Elsevier B.V. All rights reserved.

Generation and suppression of deep level defects in InP

Deep level defects in as-grown and annealed n-type and semi-insulating InP have been studied. After annealing in phosphorus ambient, a large quantity of deep level defects were generated in both n-type and semi-insulating InP materials. In contrast, few deep level defects exist in InP after annealing in iron phosphide ambient. The generation of deep level defects has direct relation with in-diffusion of iron and phosphorus in the annealing process. The in-diffused phosphorus and iron atoms occupy indium sites in the lattice, resulting in the formation of P anti-site defects and iron deep acceptors, respectively. T e results indicate that iron atoms fully occupy indium sites and suppress the formation of indium vacancy and P anti-site, etc., whereas indium vacancies and P anti-site defects. are formed after annealing in phosphor-us ambient. The nature of the deep level defects in InP has been studied based on the results.

Influences of As flux on the lattice constants, magnetic and transport properties of (Ga, Mn)As epilayers

A series of (Ga, Mn)As epilayers have been prepared on semi-insulating GaAs (001) substrates at 230 degrees C by molecular-beam epitaxy under fixed temperatures of Ga and Mn cells and varied temperatures of the As cell. By systematically studying the lattice constants, magnetic and magneto-transport properties in a self-consistent manner, we find that the concentration of As antisites monotonically increases with increasing As flux, while the concentration of interstitial Mn defects decreases with it. Such a trend sensitively affects the properties of (Ga, Mn)As epilayers. (c) 2006 Elsevier Ltd. All rights reserved.

Point defects in III-V compound semiconductors

Point defects in III-V compound semiconductors were analyzed systematically in this paper. The effects of substitutes, antisites, interstitials, and vacancies on lattice parameters in III-V compound semiconductors were calculated with a simple model. The formation energies of vacancies in compound semiconductors can be obtained by this calculation. A practical technique established on this model has been utilized for measuring the stoichiometry in GaAs. The relationship between stoichiometry and deep level centers in GaAs was also investigated.

RBS STUDIES OF THE LATTICE DAMAGE CAUSED BY 1 MEV SI+ IMPLANTATION INTO AL0.3GA0.7AS/GAAS SUPERLATTICES AT ELEVATED-TEMPERATURE

The lattice damage accumulation in GaAs and Al0.3Ga0.7As/GaAs superlattices by 1 MeV Si+ irradiation at room temperature and 350-degrees-C has been studied. For irradiations at 350-degrees-C, at lower doses the samples were almost defect-free after irradiation, while a large density of accumulated defects was induced at a higher dose. The critical dose above which the damage accumulation is more efficient is estimated to be 2 x 10(15) Si/cm2 for GaAs, and is 5 x 10(15) Si/cm2 for Al0.8Ga0.7As/GaAs superlattice for implantation with 1.0 MeV Si ions at 350-degrees-C. The damage accumulation rate for 1 MeV Si ion implantation in Al0.3Ga0.7As/GaAs superlattice is less than that in GaAs.

Stoichiometric defects in semi-insulating GaAs

The influences of arsenic interstitials and dislocations on the lattice parameters of undoped semi-insulating (SI) GaAs single crystals were analyzed. It was shown that the dislocations in such crystals serve as effective gettering sites for arsenic interstitials due to the deformation energy of dislocations. The average excess arsenic in GaAs epilayers grown by molecular-beam epitaxy (MBE) at low temperatures (LT) is about 1%, and the lattice parameters of these epilayers are larger than those of liquid-encapsulated Czochralski-grown (LEG) SI-GaAs by about 0.1%. The atomic ratio, [As]/([Ga] + [As]), in SI-GaAs grown by low-pressure (LP) LEC is the nearest to the strict stoichiometry compared with those grown by high-pressure (HP) LEC and vertical gradient freeze (VGF). After multiple wafer annealing (MWA), the crystals grown by HPLEC become closer to be strictly stoichiometric.