Atomic Structure of Quantum Gold Nanowires: Quantification of the Lattice Strain

Theoretical studies exist to compute the atomic arrangement in gold nanowires and the influence on their electronic behavior with decreasing diameter. Experimental studies, e.g., by transmission electron microscopy, on chemically synthesized ultrafine wires are however lacking owing to the unavailability of suitable protocols for sample preparation and the stability of the wires under electron beam irradiation. In this work, we present an atomic scale structural investigation on quantum single crystalline gold nanowires of 2 nm diameter, chemically prepared on a carbon film grid. Using low dose aberration-corrected high resolution (S)TEM, we observe an inhomogeneous strain distribution in the crystal, largely concentrated at the twin boundaries and the surface along with the presence of facets and surface steps leading to a noncircular cross section of the wires. These structural aspects are critical inputs needed to determine their unique electronic character and their potential as a suitable catalyst material. Furthermore, electron-beam-induced structural changes at the atomic scale, having implications on their mechanical behavior and their suitability as interconnects, are discussed.

pH sensing by single and multi-layer hydrogel coated Fiber Bragg Grating

In this paper we show a novel chemo-mechanical-optical sensing mechanism in single and multi-layer hydrogel coated Fiber Bragg Grating (FBG) and demonstrate specific application in pH activated processes. The sensing device is based on the ionizable monomers inside the hydrogel which reversibly dissociates as a function of the pH and consequently resulting in osmotic pressure difference between the gel and the solution. This pressure gradient causes the hydrogel to deform which in turn induces secondary strain on the FBG sensor resulting in shift in the Bragg wavelength. We also report on the sensitivity factor of single and multilayer hydrogel coated FBG at various different pH.

Analytical model for stress-strain response of plastic waste mixed soil

Recycling plastic water bottles has become one of the major challenges world wide. The present study provides an approach for the use of plastic waste as reinforcement material in soil, which can be used for ground improvement, subbases, and subgrade preparation in road construction. The experimental results are presented in the form of stress-strain-pore water pressure response and compression paths. On the basis of experimental test results, it is observed that the strength of soil is improved and compressibility reduced significantly with the addition of a small percentage of plastic waste to the soil. In this paper, an analytical model is proposed to evaluate the response of plastic waste mixed soil. It is noted that the model captures the stress-strain and pore water pressure response of all percentages of plastic waste adequately. The paper also provides a comparative study of failure stress obtained from different published models and the proposed model, which are compared with experimental results. The improvement in strength attributable to the inclusion of plastic waste can be advantageously used in ground improvement projects.

SPATIO-TEMPORAL DYNAMICS ALONG THE TERRAIN GRADIENT OF DIVERSE LANDSCAPE

Land use (LU) land cover (LC) information at a temporal scale illustrates the physical coverage of the Earth's terrestrial surface according to its use and provides the intricate information for effective planning and management activities. LULC changes are stated as local and location specific, collectively they act as drivers of global environmental changes. Understanding and predicting the impact of LULC change processes requires long term historical restorations and projecting into the future of land cover changes at regional to global scales. The present study aims at quantifying spatio temporal landscape dynamics along the gradient of varying terrains presented in the landscape by multi-data approach (MDA). MDA incorporates multi temporal satellite imagery with demographic data and other additional relevant data sets. The gradient covers three different types of topographic features, planes; hilly terrain and coastal region to account the significant role of elevation in land cover change. The seasonality is another aspect to be considered in the vegetation dominated landscapes; variations are accounted using multi seasonal data. Spatial patterns of the various patches are identified and analysed using landscape metrics to understand the forest fragmentation. The prediction of likely changes in 2020 through scenario analysis has been done to account for the changes, considering the present growth rates and due to the proposed developmental projects. This work summarizes recent estimates on changes in cropland, agricultural intensification, deforestation, pasture expansion, and urbanization as the causal factors for LULC change.

Texture evolution during annealing of large-strain deformed nanocrystalline nickel

The recrystallization behaviour of cold-rolled nanocrystalline (nc) nickel has been studied at temperatures between 573 and 1273 K using bulk texture measurements and electron back-scattered diffraction. The texture in nc nickel is different from that of its microcrystalline counterpart, consisting of a strong Goss (G) and rotated Goss (RG) components at 773 K instead of the typical cube component. The texture evolution in nc Ni has been attributed to the prior deformation textures and nucleation advantage of G and RG grains.

Quantitative Strain and Compositional Studies of InxGa1-xAs Epilayer in a GaAs-based pHEMT Device Structure by TEM Techniques

In GaAs-based pseudomorphic high-electron mobility transistor device structures, strain and composition of the InxGa1 (-) As-x channel layer are very important as they influence the electronic properties of these devices. In this context, transmission electron microscopy techniques such as (002) dark-field imaging, high-resolution transmission electron microscopy (HRTEM) imaging, scanning transmission electron microscopy-high angle annular dark field (STEM-HAADF) imaging and selected area diffraction, are useful. A quantitative comparative study using these techniques is relevant for assessing the merits and limitations of the respective techniques. In this article, we have investigated strain and composition of the InxGa1 (-) As-x layer with the mentioned techniques and compared the results. The HRTEM images were investigated with strain state analysis. The indium content in this layer was quantified by HAADF imaging and correlated with STEM simulations. The studies showed that the InxGa1 (-) As-x channel layer was pseudomorphically grown leading to tetragonal strain along the 001] growth direction and that the average indium content (x) in the epilayer is similar to 0.12. We found consistency in the results obtained using various methods of analysis.

Effect of strain on electronic and thermoelectric properties of few layers to bulk MoS2

The sensitive dependence of the electronic and thermoelectric properties of MoS2 on applied strain opens up a variety of applications in the emerging area of straintronics. Using first-principles-based density functional theory calculations, we show that the band gap of a few layers of MoS2 can be tuned by applying normal compressive (NC) strain, biaxial compressive (BC) strain, and biaxial tensile (BT) strain. A reversible semiconductor-to-metal transition (S-M transition) is observed under all three types of strain. In the case of NC strain, the threshold strain at which the S-M transition occurs increases when the number of layers increase and becomes maximum for the bulk. On the other hand, the threshold strain for the S-M transition in both BC and BT strains decreases when the number of layers increase. The difference in the mechanisms for the S-M transition is explained for different types of applied strain. Furthermore, the effect of both strain type and the number of layers on the transport properties are also studied using Botzmann transport theory. We optimize the transport properties as a function of the number of layers and the applied strain. 3L- and 2L-MoS2 emerge as the most efficient thermoelectric materials under NC and BT strain, respectively. The calculated thermopower is large and comparable to some of the best thermoelectric materials. A comparison among the feasibility of these three types of strain is also discussed.

Strain-induced electronic phase transition and strong enhancement of thermopower of TiS2

Using first-principles density functional theory calculations, we show a semimetal to semiconducting electronic phase transition for bulk TiS2 by applying uniform biaxial tensile strain. This electronic phase transition is triggered by charge transfer from Ti to S, which eventually reduces the overlap between Ti-(d) and S-(p) orbitals. The electronic transport calculations show a large anisotropy in electrical conductivity and thermopower, which is due to the difference in the effective masses along the in-plane and out-of-plane directions. Strain-induced opening of band gap together with changes in dispersion of bands lead to threefold enhancement in thermopower for both p-and n-type TiS2. We further demonstrate that the uniform tensile strain, which enhances the thermoelectric performance, can be achieved by doping TiS2 with larger iso-electronic elements such as Zr or Hf at Ti sites.

Effect of epitaxial strain on phase separation in thin films

In epitaxially grown alloy thin films, spinodal decomposition may be promoted or suppressed depending on the sign of the epitaxial strain. We study this asymmetry by extending Cahn's linear theory of spinodal decomposition to systems with a composition dependent lattice parameter and modulus (represented by Vegard's law coefficients, GRAPHICS] and y, respectively), and an imposed (epitaxial) strain (e). We show analytically (and confirm using simulations) that the asymmetric effect of epitaxial strains arises only in elastically inhomogeneous systems. Specifically, we find good agreement between analytical and simulation results for the wave number GRAPHICS] of the fastest growing composition fluctuation. The asymmetric effect due to epitaxial strain also extends to microstructure formation: our simulations show islands of elastically softer (harder) phase with (without) a favourable imposed strain. We discuss the implications of these results to GeSi thin films on Si and Ge substrates, as well as InGaAs films on GaAs substrates.

Streptococcus pneumoniae Genome Database (SPGDB): A database for strain specific comparative analysis of Streptococcus pneumoniae genes and proteins

Streptococcus pneumoniae causes pneumonia, septicemia and meningitis. S. pneumoniae is responsible for significant mortality both in children and in the elderly. In recent years, the whole genome sequencing of various S. pneumoniae strains have increased manifold and there is an urgent need to provide organism specific annotations to the scientific community. This prompted us to develop the Streptococcus pneumoniae Genome Database (SPGDB) to integrate and analyze the completely sequenced and available S. pneumoniae genome sequences. Further, links to several tools are provided to compare the pool of gene and protein sequences, and proteins structure across different strains of S. pneumoniae. SPGDB aids in the analysis of phenotypic variations as well as to perform extensive genomics and evolutionary studies with reference to S. pneumoniae. (C) 2014 Elsevier Inc. All rights reserved.

Texture Evolution in Nanocrystalline Nickel: Critical Role of Strain Path

The effect of strain path change during rolling on the evolution of deformation texture has been studied for nanocrystalline (nc) nickel. An orthogonal change in strain path, as imparted by alternating rolling and transverse directions, leads to a texture with a strong Bs {110}aOE (c) 112 > component. The microstructural features, after large deformation, show distinct grain morphology for the cross-rolled material. Crystal plasticity simulations, based on viscoplastic self-consistent model, indicate that slip involving partial dislocation plays a vital role in accommodating plastic deformation during the initial stages of rolling. The brass-type texture evolved after cross rolling to large strains is attributed to change in strain path.

Effect of Anisotropy of Fibers on the Stress-Strain Response of Fiber-Reinforced Soil

Reinforcing soil with fibers is a useful method for improving the strength and settlement response of soil. The soil and fiber characteristics and their interaction are some of the major factors affecting the strength of reinforced soil. The fibers are usually randomly distributed in the soil, and their orientation has a significant effect on the behavior of the reinforced soil. In the paper, a study of the effect of anisotropic distribution of fibers on the stress-strain response is presented. Based on the concept of the modified Cam clay model, an analytical model was formulated for the fiber-reinforced soil, and the effect of fiber orientation on the stress-strain behavior of soil was studied in detail. The results show that, as the inclination of fibers with the horizontal plane increased, the contribution of fibers in improving the strength of fiber-reinforced soil decreased. The effect of fibers is maximum when they are in the direction of extension, and vice versa. (C) 2014 American Society of Civil Engineers.

Absolute/Convective Instability Transition in a Backward Facing Step Combustor: Fundamental Mechanism and Influence of Density Gradient

Hydrodynamic instabilities of the flow field in lean premixed gas turbine combustors can generate velocity perturbations that wrinkle and distort the flame sheet over length scales that are smaller than the flame length. The resultant heat release oscillations can then potentially result in combustion instability. Thus, it is essential to understand the hydrodynamic instability characteristics of the combustor flow field in order to understand its overall influence on combustion instability characteristics. To this end, this paper elucidates the role of fluctuating vorticity production from a linear hydrodynamic stability analysis as the key mechanism promoting absolute/convective instability transitions in shear layers occurring in the flow behind a backward facing step. These results are obtained within the framework of an inviscid, incompressible, local temporal and spatio-temporal stability analysis. Vorticity fluctuations in this limit result from interaction between two competing mechanisms-(1) production from interaction between velocity perturbations and the base flow vorticity gradient and (2) baroclinic torque in the presence of base flow density gradients. This interaction has a significant effect on hydrodynamic instability characteristics when the base flow density and velocity gradients are colocated. Regions in the space of parameters characterizing the base flow velocity profile, i.e., shear layer thickness and ratio of forward to reverse flow velocity, corresponding to convective and absolute instability are identified. The implications of the present results on understanding prior experimental studies of combustion instability in backward facing step combustors and hydrodynamic instability in other flows such as heated jets and bluff body stabilized flames is discussed.

Semiconductor to metal transition in bilayer phosphorene under normal compressive strain

Phosphorene, a two-dimensional analog of black phosphorous, has been a subject of immense interest recently, due to its high carrier mobilities and a tunable bandgap. So far, tunability has been predicted to be obtained with very high compressive/tensile in-plane strains, and vertical electric field, which are difficult to achieve experimentally. Here, we show using density functional theory based calculations the possibility of tuning electronic properties by applying normal compressive strain in bilayer phosphorene. A complete and fully reversible semiconductor to metal transition has been observed at similar to 13.35% strain, which can be easily realized experimentally. Furthermore, a direct to indirect bandgap transition has also been observed at similar to 3% strain, which is a signature of unique band-gap modulation pattern in this material. The absence of negative frequencies in phonon spectra as a function of strain demonstrates the structural integrity of the sheets at relatively higher strain range. The carrier mobilities and effective masses also do not change significantly as a function of strain, keeping the transport properties nearly unchanged. This inherent ease of tunability of electronic properties without affecting the excellent transport properties of phosphorene sheets is expected to pave way for further fundamental research leading to phosphorene-based multi-physics devices.

On the strain rate sensitivity of plastic flow in metallic glasses

The nanoindentation technique was employed to examine the strain rate sensitivity, m, and its dependence on the structural state of a Zr-based bulk metallic glass (BMG). The free volume content in the BMG was varied by examining samples in the as-cast (AC), shot-peened (SP), and structurally relaxed (SR) states. Hardness values measured at different loading rates and over a temperature range of 300-423 K as well as the strain-rate jump tests conducted in the quasi-static regime at room temperature, show that m is always negative. All the load-displacement (P-h) curves in this temperature regime exhibit serrated load-displacement responses, indicating that the shear band mediated inhomogeneous plastic flow governs deformation. Such localization of flow and associated softening is the raison d'etre for the negative m. Significant levels of pile-up around the indents were also noted. The order in the average values of hardness, pile-up heights, and the displacement bursts on the P-h curves was always such that SR > AC > SP, which is also the order of increasing free volume content. These observations were utilized to discuss the reasons for the negative strain rate sensitivity, and its dependence on the structural state of metallic glasses. It is suggested that the positive values of m reported in the literature for them are possibly experimental artefacts that arise due to large pile ups around the indents which lead to erroneous estimation in hardness values. (C) 2014 Elsevier B.V. All rights reserved.