Interaction between a notch and cylindrical voids in aluminum single crystals: Experimental observations and numerical simulations

A combined 3D finite element simulation and experimental study of interaction between a notch and cylindrical voids ahead of it in single edge notch (tension) aluminum single crystal specimens is undertaken in this work. Two lattice orientations are considered in which the notch front is parallel to the crystallographic 10 (1) over bar] direction. The flat surface of the notch coincides with the (010) plane in one orientation and with the (1 (1) over bar1) plane in the other. Three equally spaced cylindrical voids are placed directly ahead of the notch tip. The predicted load-displacement curves, slip traces, lattice rotation and void growth from the finite element analysis are found to be in good agreement with the experimental observations for both the orientations. Finite element results show considerable through-thickness variation in both hydrostatic stress and equivalent plastic slip which, however, depends additionally on the lattice orientation. The through-thickness variation in the above quantities affects the void growth rate and causes it to differ from the center-plane to the free surface of the specimen. (c) 2012 Elsevier Ltd. All rights reserved.

Influence of tool rotation speed and feed rate on the forming limit of friction stir welded AA6061-T6 sheets

In this study, the influence of tool rotation speed and feed rate on the forming limit of friction stir welded Al 6061-T651 sheets has been investigated. The forming limit curve was evaluated by limit dome height test performed on all the friction stir welded sheets. The welding trials were conducted at a tool rotation speed of 1300 and 1400 r/min and feed rate of 90 and 100 mm/min. A third trial of welding was performed at a rotational speed of 1500 r/min and feed rate 120 mm/min. It is found that with increase in the tool rotation speed, from 1300 to 1400 r/min, for a constant feed rate, the forming limit of friction stir welded blank has improved and with increase in feed rate, from 90 to 100 mm/min, for a constant tool rotation speed, it has decreased. The forming limit of friction stir welded sheets is better than unwelded sheets. The thickness gradient after forming is severe in the cases of friction stir welded blanks made at higher feed rate and lower rotation speed. The strain hardening exponent of weld (n) increases with increase in tool rotation speed and it decreases with increase in feed rate. It has been demonstrated that the change in the forming limit of friction stir welded sheets with respect to welding parameters is due to the thickness distribution severity and strain hardening exponent of the weld region during forming. There is not much variation in the dome height among the friction stir welded sheets tested. When compared with unwelded sheets, dome height of friction stir welded sheets is higher in near-plane-strain condition, but it is lesser in stretching strain paths.

Runtime dependence computation and execution of loops on heterogeneous systems

GPUs have been used for parallel execution of DOALL loops. However, loops with indirect array references can potentially cause cross iteration dependences which are hard to detect using existing compilation techniques. Applications with such loops cannot easily use the GPU and hence do not benefit from the tremendous compute capabilities of GPUs. In this paper, we present an algorithm to compute at runtime the cross iteration dependences in such loops. The algorithm uses both the CPU and the GPU to compute the dependences. Specifically, it effectively uses the compute capabilities of the GPU to quickly collect the memory accesses performed by the iterations by executing the slice functions generated for the indirect array accesses. Using the dependence information, the loop iterations are levelized such that each level contains independent iterations which can be executed in parallel. Another interesting aspect of the proposed solution is that it pipelines the dependence computation of the future level with the actual computation of the current level to effectively utilize the resources available in the GPU. We use NVIDIA Tesla C2070 to evaluate our implementation using benchmarks from Polybench suite and some synthetic benchmarks. Our experiments show that the proposed technique can achieve an average speedup of 6.4x on loops with a reasonable number of cross iteration dependences.

Spontaneous formation of branched nanochains from room temperature molten amides: visible and near-IR active, SERS substrates for non-fluorescent and fluorescent analytes

Highly stable, branched gold nanoworms are formed spontaneously in an acetamide-based room temperature molten solvent without any additional external stabilizing or aggregating agent. The nanoworms can be anchored onto solid substrates such as indium tin oxide (ITO) without any change in morphology. The anchored nanoworms are explored as substrates for surface enhanced Raman scattering (SERS) studies using non-fluorescent 4-mercaptobenzoic acid (4-MBA) and fluorescent rhodamine 6G (R6G) as probe molecules. The anchored nanostructured particles respond to near IR (1064 nm) as well as visible (785, 632.8 and 514 nm) excitation lasers and yield good surface enhancement in Raman signals. Enhancement factors of the order 10(6)-10(7) are determined for the analytes using a 1064 nm excitation source. Minimum detection limits based on adsorption from ethanolic solutions of 1028 M 4-MBA and aqueous solutions of 1027 M R6G are achieved. Experimental Raman frequencies and frequencies estimated by DFT calculations are in fairly good agreement. SERS imaging of the nanostructures suggests that the substrates comprising of three dimensional, highly interlinked particles are more suited than particles fused in one dimension. The high SERS activity of the branched nanoworms may be attributed to both electromagnetic and charge transfer effects.

Composition, structure and electrical properties of DC reactive magnetron sputtered Al2O3 thin films

Thin films of alumina (Al2O3) were deposited over Si < 1 0 0 > substrates at room temperature at an oxygen gas pressure of 0.03 Pa and sputtering power of 60 W using DC reactive magnetron sputtering. The composition of the as-deposited film was analyzed by X-ray photoelectron spectroscopy and the O/Al atomic ratio was found to be 1.72. The films were then annealed in vacuum to 350, 550 and 750 degrees C and X-ray diffraction results revealed that both as-deposited and post deposition annealed films were amorphous. The surface morphology and topography of the films was studied using scanning electron microscopy and atomic force microscopy, respectively. A progressive decrease in the root mean square (RMS) roughness of the films from 1.53 nm to 0.7 nm was observed with increase in the annealing temperature. Al-Al2O3-Al thin film capacitors were then fabricated on p-type Si < 1 0 0 > substrate to study the effect of temperature and frequency on the dielectric property of the films and the results are discussed.

Deposition and characterization of pure and Cd doped SnO2 thin films by the nebulizer spray pyrolysis (NSP) technique

Pure and cadmium doped tin oxide thin films were deposited on glass substrates from aqueous solution of cadmium acetate, tin (IV) chloride and sodium hydroxide by the nebulizer spray pyrolysis (NSP) technique. X-ray diffraction reveals that all films have tetragonal crystalline structure with preferential orientation along (200) plane. On application of the Scherrer formula, it is found that the maximum size of grains is 67 nm. Scanning electron microscopy shows that the grains are of rod and spherical in shape. Energy dispersive X-ray analysis reveals the average ratio of the atomic percentage of pure and Cd doped SnO2 films. The electrical resistivity is found to be 10(2) Omega cm at higher temperature (170 degrees C) and 10(3) Omega cm at lower temperature (30 degrees C). Optical band gap energy was determined from transmittance and absorbance data obtained from UV-vis spectra. Optical studies reveal that the band gap energy decreases from 3.90 eV to 3.52 eV due to the addition of Cd as dopant with different concentrations.

Nanostructured GdxZn1-xO thin films by nebulizer spray pyrolysis technique: Role of doping concentration on the structural and optical properties

Nanostructured GdxZn1-xO thin films with different Gd concentration from 0% to 10% deposited at 400 degrees C using the NSF technique. The films were characterized by structural, surface and optical properties, respectively. X-ray diffraction analysis shows that the Gd doped ZnO films have lattice parameters a = 3.2497 angstrom and c = 5.2018 angstrom with hexagonal structure and preferential orientation along (002) plane. The estimated values compare well with the standard values. When film thickness increases from 222 to 240 nm a high visible region transmittance (>70%) is observed. The optical band gap energy, optical constants (n and k), complex dielectric constants (epsilon(r), and epsilon(i)) and optical conductivities (sigma(r), and sigma(i)) were calculated from optical transmittance data. The optical band gap energy is 3.2 eV for pure ZnO film and 3.6 eV for Gd0.1Zn0.9-O film. The PL studies confirm the presence of a strong UV emission peak at 399 nm. Besides, the UV emission of ZnO films decreases with the increase of Gd doping concentration correspondingly the ultra-violet emission is replaced by blue and green emissions.

C12-Helix development in ()n sequences - spectroscopic characterization of Boc-Aib-4(R)Val]-OMe oligomers

The solution conformations of the -hybrid oligopeptides Boc-Aib-4(R)Val]n-OMe (n = 1-8) in organic solvents have been probed by NMR, IR, and CD spectroscopic methods. In the solid state, this peptide series favors C12-helical conformations, which are backbone-expanded analogues of 310 helices in -peptide sequences. NMR studies of the six- (n = 3) and 16-residue (n = 8) peptides reveal that only two NH protons attached the N-terminus residues Aib(1) and 4(R)Val(2) are solvent-exposed. Sequential NiH-Ni+1H NOEs characteristic of local helical conformations are also observed at the residues. IR studies establish that chain extension leads to a large enhancement in the intensities of the hydrogen-bonded NH stretching bands (3343-3280 cm-1), which suggest elongation of intramolecularly hydrogen-bonded structures. The development of C12-helical structures upon lengthening of the sequence is supported by the NMR and IR observations. The CD spectra of the ()n peptides reveal a negative maximum at ca. 206 nm and a positive maximum at ca. 192 nm, spectral feature that are distinct from those of 310 helices in -peptides.

Cl-35 NQR frequency and spin lattice relaxation time in 3,4-dichlorophenol as a function of pressure and temperature

The pressure dependences of Cl-35 nuclear quadrupole resonance (NQR) frequency, temperature and pressure variation of spin lattice relaxation time (T-1) were investigated in 3,4-dichlorophenol. T-1 was measured in the temperature range 77-300 K. Furthermore, the NQR frequency and T-1 for these compounds were measured as a function of pressure up to 5 kbar at 300 K. The temperature dependence of the average torsional lifetimes of the molecules and the transition probabilities W-1 and W-2 for the Delta m = +/- 1 and Delta m = +/- 2 transitions were also obtained. A nonlinear variation of NQR frequency with pressure has been observed and the pressure coefficients were observed to be positive. A thermodynamic analysis of the data was carried out to determine the constant volume temperature coefficients of the NQR frequency. An attempt is made to compare the torsional frequencies evaluated from NQR data with those obtained by IR spectra. On selecting the appropriate mode from IR spectra, a good agreement with torsional frequency obtained from NQR data is observed. The previously mentioned approach is a good illustration of the supplementary nature of the data from IR studies, in relation to NQR studies of compounds in solid state.

Projecting low and extensive dimensional chaos from spatio-temporal dynamics

We review the spatio-temporal dynamical features of the Ananthakrishna model for the Portevin-Le Chatelier effect, a kind of plastic instability observed under constant strain rate deformation conditions. We then establish a qualitative correspondence between the spatio-temporal structures that evolve continuously in the instability domain and the nature of the irregularity of the scalar stress signal. Rest of the study is on quantifying the dynamical information contained in the stress signals about the spatio-temporal dynamics of the model. We show that at low applied strain rates, there is a one-to-one correspondence with the randomly nucleated isolated bursts of mobile dislocation density and the stress drops. We then show that the model equations are spatio-temporally chaotic by demonstrating the number of positive Lyapunov exponents and Lyapunov dimension scale with the system size at low and high strain rates. Using a modified algorithm for calculating correlation dimension density, we show that the stress-strain signals at low applied strain rates corresponding to spatially uncorrelated dislocation bands exhibit features of low dimensional chaos. This is made quantitative by demonstrating that the model equations can be approximately reduced to space independent model equations for the average dislocation densities, which is known to be low-dimensionally chaotic. However, the scaling regime for the correlation dimension shrinks with increasing applied strain rate due to increasing propensity for propagation of the dislocation bands. The stress signals in the partially propagating to fully propagating bands turn to have features of extensive chaos.

The diffusion and relaxation of Gaussian chains in narrow rectangular slits

The confinement of a polymer to volumes whose characteristic linear dimensions are comparable to or smaller than its bulk radius of gyration R-G,R-bulk can produce significant changes in its static and dynamic properties, with important implications for the understanding of single-molecule processes in biology and chemistry. In this paper, we present calculations of the effects of a narrow rectangular slit of thickness d on the scaling behavior of the diffusivity D and relaxation time tau(r) of a Gaussian chain of polymerization index N and persistence length l(0). The calculations are based on the Rouse-Zimm model of chain dynamics, with the pre-averaged hydrodynamic interaction being obtained from the solutions to Stokes equations for an incompressible fluid in a parallel plate geometry in the limit of small d. They go beyond de Gennes' purely phenomenological analysis of the problem based on blobs, which has so far been the only analytical route to the determination of chain scaling behavior for this particular geometry. The present model predicts that D similar to dN(-1) ln(N/d(2)) and tau(r) similar to N(2)d(-1) ln(N/d(2))(-1) in the regime of moderate confinement, where l(0) << d < R-G,R-bulk. The corresponding results for the blob model have exactly the same power law behavior, but contain no logarithmic corrections; the difference suggests that segments within a blob may actually be partially draining and not non-draining as generally assumed.

Apparatus and method for heat-run test on high-power PWM converters with low energy expenditure

Before installation, a voltage source converter is usually subjected to heat-run test to verify its thermal design and performance under load. For heat-run test, the converter needs to be operated at rated voltage and rated current for a substantial length of time. Hence, such tests consume huge amount of energy in case of high-power converters. Also, the capacities of the source and loads available in the research and development (R&D) centre or the production facility could be inadequate to conduct such tests. This paper proposes a method to conduct heat-run tests on high-power, pulse width modulated (PWM) converters with low energy consumption. The experimental set-up consists of the converter under test and another converter (of similar or higher rating), both connected in parallel on the ac side and open on the dc side. Vector-control or synchronous reference frame control is employed to control the converters such that one draws certain amount of reactive power and the other supplies the same; only the system losses are drawn from the mains. The performance of the controller is validated through simulation and experiments. Experimental results, pertaining to heat-run tests on a high-power PWM converter, are presented at power levels of 25 kVA to 150 kVA.

Assessing severe Drought and wet events over India in a future climate using a nested bias-correction approach

General circulation models (GCMs) are routinely used to simulate future climatic conditions. However, rainfall outputs from GCMs are highly uncertain in preserving temporal correlations, frequencies, and intensity distributions, which limits their direct application for downscaling and hydrological modeling studies. To address these limitations, raw outputs of GCMs or regional climate models are often bias corrected using past observations. In this paper, a methodology is presented for using a nested bias-correction approach to predict the frequencies and occurrences of severe droughts and wet conditions across India for a 48-year period (2050-2099) centered at 2075. Specifically, monthly time series of rainfall from 17 GCMs are used to draw conclusions for extreme events. An increasing trend in the frequencies of droughts and wet events is observed. The northern part of India and coastal regions show maximum increase in the frequency of wet events. Drought events are expected to increase in the west central, peninsular, and central northeast regions of India. (C) 2013 American Society of Civil Engineers.

Design and synthesis of positional isomers of 5 and 6-bromo-1-(phenyl)sulfonyl]-2-(4-nitrophenoxy)methyl]-1H-benzimida zoles as possible antimicrobial and antitubercular agents

In this Letter, we report the structure activity relationship (SAR) studies on series of positional isomers of 5(6)-bromo-1-(phenyl)sulfonyl]-2-(4-nitrophenoxy)methyl]-1H-benzim idazoles derivatives 7(a-j) and 8(a j) synthesized in good yields and characterized by H-1 NMR, C-13 NMR and mass spectral analyses. The crystal structure of 7a was evidenced by X-ray diffraction study. The newly synthesized compounds were evaluated for their in vitro antibacterial activity against Staphylococcus aureus, (Gram-positive), Escherichia coil and Klebsiella pneumoniae (Gram-negative), antifungal activity against Candida albicans, Aspergillus flavus and Rhizopus sp. and antitubercular activity against Mycobacterium tuberculosis H37Rv, Mycobacterium smegmatis, Mycobacterium fortuitum and MDR-TB strains. The synthesized compounds displayed interesting antimicrobial activity. The compounds 7b, 7e and 7h displayed significant activity against Mycobacterium tuberculosis H37Rv strain.

Scalar transport in diffusion flame wrapped up by an air and fuel side vortex

The present work involves a computational study of soot (chosen as a scalar which is a primary pollutant source) formation and transport in a laminar acetylene diffusion flame perturbed by a convecting line vortex. The topology of soot contours resulting from flame vortex interactions has been investigated. More soot was produced when vortex was introduced from the air side in comparison to the fuel side. Also, the soot topography was spatially more diffuse in the case of air side vortex. The computational model was found to be in good agreement with the experimental work previously reported in the literature. The computational simulation enabled a study of various parameters like temperature, equivalence ratio and temperature gradient affecting the soot production and transport. Temperatures were found to be higher in the case of air side vortex in contrast to the fuel side one. In case of fuel side vortex, abundance of fuel in the vortex core resulted in fuel-rich combustion zone in the core and a more discrete soot topography. Besides, the overall soot production was observed to be low in the fuel side vortex. However, for the air side vortex, air abundance in the core resulted in higher temperatures and greater soot production. Probability density functions (PDFs) have been introduced to investigate the spatiotemporal variation of soot yield and transport and their dependence on temperature and acetylene concentration from statistical view point. In addition, the effect of flame curvature on soot production is also studied. The regions convex to fuel stream side witnessed thicker soot layer. All numerical simulations have been carried out on Fluent 6.3.26. (C) 2013 Elsevier Ltd. All rights reserved.