The Reverse Time Migration technique coupled with Interior Penalty Discontinuous Galerkin method.

NASA Astrophysics Data System (ADS)

Baldassari, C.; Barucq, H.; Calandra, H.; Denel, B.; Diaz, J.

2009-04-01

Seismic imaging is based on the seismic reflection method which produces an image of the subsurface from reflected waves recordings by using a tomography process and seismic migration is the industrial standard to improve the quality of the images. The migration process consists in replacing the recorded wavefields at their actual place by using various mathematical and numerical methods but each of them follows the same schedule, according to the pioneering idea of Claerbout: numerical propagation of the source function (propagation) and of the recorded wavefields (retropropagation) and next, construction of the image by applying an imaging condition. The retropropagation step can be realized accouting for the time reversibility of the wave equation and the resulting algorithm is currently called Reverse Time Migration (RTM). To be efficient, especially in three dimensional domain, the RTM requires the solution of the full wave equation by fast numerical methods. Finite element methods are considered as the best discretization method for solving the wave equation, even if they lead to the solution of huge systems with several millions of degrees of freedom, since they use meshes adapted to the domain topography and the boundary conditions are naturally taken into account in the variational formulation. Among the different finite element families, the spectral element one (SEM) is very interesting because it leads to a diagonal mass matrix which dramatically reduces the cost of the numerical computation. Moreover this method is very accurate since it allows the use of high order finite elements. However, SEM uses meshes of the domain made of quadrangles in 2D or hexaedra in 3D which are difficult to compute and not always suitable for complex topographies. Recently, Grote et al. applied the IPDG (Interior Penalty Discontinuous Galerkin) method to the wave equation. This approach is very interesting since it relies on meshes with triangles in 2D or tetrahedra in 3D, which allows to handle the topography of the domain very accurately. Moreover, the fact that the resulting mass matrix is block-diagonal and that IPDG is compatible with the use of high-order finite element may let us suppose that its performances are similar to the ones of the SEM. In this presentation, we study the performances of IDPG through numerical comparisons with the SEM in 1D and 2D. We compare in particular the accuracy of the solutions obtained by the two methods with various order of approximation and the computational burden of the algorithms. The conclusion is IPDG and SEM perform similarly when considering low order finite elements while IPDG outperforms SEM in case of high order finite elements. Next we illustrate the impact of IPDG on the RTM, first through a simple configuration test (two-layered medium), then through realistic industrial applications in 2D.

Physics-based Stabilization of Spectral Elements for the 3D Euler Equations of Moist Atmospheric Convection

DTIC Science & Technology

2014-06-01

6000 s. 7 Table 1: Case 3. Comparative results of front location at 900s. LES (SEM), VMS (FE), WRF -ARW V2.2 (FD), f-wave (FV), filtered Spectral Elements...NO 14629 VMS [15] (75 m) NO 14487 VMS [15] (100 m) NO 14355 WRF -ARW 50 m YES 14470 SE [6] 50m YES 14767 DG [6] 50m YES 14767 f-wave (FV) [1] 50 m YES

Spectral-Element Simulations of Wave Propagation in Porous Media: Finite-Frequency Sensitivity Kernels Based Upon Adjoint Methods

NASA Astrophysics Data System (ADS)

Morency, C.; Tromp, J.

2008-12-01

The mathematical formulation of wave propagation in porous media developed by Biot is based upon the principle of virtual work, ignoring processes at the microscopic level, and does not explicitly incorporate gradients in porosity. Based on recent studies focusing on averaging techniques, we derive the macroscopic porous medium equations from the microscale, with a particular emphasis on the effects of gradients in porosity. In doing so, we are able to naturally determine two key terms in the momentum equations and constitutive relationships, directly translating the coupling between the solid and fluid phases, namely a drag force and an interfacial strain tensor. In both terms, gradients in porosity arise. One remarkable result is that when we rewrite this set of equations in terms of the well known Biot variables us, w), terms involving gradients in porosity are naturally accommodated by gradients involving w, the fluid motion relative to the solid, and Biot's formulation is recovered, i.e., it remains valid in the presence of porosity gradients We have developed a numerical implementation of the Biot equations for two-dimensional problems based upon the spectral-element method (SEM) in the time domain. The SEM is a high-order variational method, which has the advantage of accommodating complex geometries like a finite-element method, while keeping the exponential convergence rate of (pseudo)spectral methods. As in the elastic and acoustic cases, poroelastic wave propagation based upon the SEM involves a diagonal mass matrix, which leads to explicit time integration schemes that are well-suited to simulations on parallel computers. Effects associated with physical dispersion & attenuation and frequency-dependent viscous resistance are addressed by using a memory variable approach. Various benchmarks involving poroelastic wave propagation in the high- and low-frequency regimes, and acoustic-poroelastic and poroelastic-poroelastic discontinuities have been successfully performed. We present finite-frequency sensitivity kernels for wave propagation in porous media based upon adjoint methods. We first show that the adjoint equations in porous media are similar to the regular Biot equations upon defining an appropriate adjoint source. Then we present finite-frequency kernels for seismic phases in porous media (e.g., fast P, slow P, and S). These kernels illustrate the sensitivity of seismic observables to structural parameters and form the basis of tomographic inversions. Finally, we show an application of this imaging technique related to the detection of buried landmines and unexploded ordnance (UXO) in porous environments.

Implementation of a novel efficient low cost method in structural health monitoring

NASA Astrophysics Data System (ADS)

Asadi, S.; Sepehry, N.; Shamshirsaz, M.; Vaghasloo, Y. A.

2017-05-01

In active structural health monitoring (SHM) methods, it is necessary to excite the structure with a preselected signal. More studies in the field of active SHM are focused on applying SHM on higher frequency ranges since it is possible to detect smaller damages, using higher excitation frequency. Also, to increase spatial domain of measurements and enhance signal to noise ratio (SNR), the amplitude of excitation signal is usually amplified. These issues become substantial where piezoelectric transducers with relatively high capacitance are used and consequently, need to utilize high power amplifiers becomes predominant. In this paper, a novel method named Step Excitation Method (SEM) is proposed and implemented for Lamb wave and transfer impedance-based SHM for damage detection in structures. Three different types of structure are studied: beam, plate and pipe. The related hardware is designed and fabricated which eliminates high power analog amplifiers and decreases complexity of driver significantly. Spectral Finite Element Method (SFEM) is applied to examine performance of proposed SEM. In proposed method, by determination of impulse response of the system, any input could be applied to the system by both finite element simulations and experiments without need for multiple measurements. The experimental results using SEM are compared with those obtained by conventional direct excitation method for healthy and damaged structures. The results show an improvement of amplitude resolution in damage detection comparing to conventional method which is due to achieving an SNR improvement up to 50%.

Application of scanning laser Doppler vibrometry for delamination detection in composite structures

NASA Astrophysics Data System (ADS)

Kudela, Pawel; Wandowski, Tomasz; Malinowski, Pawel; Ostachowicz, Wieslaw

2017-12-01

In this paper application of scanning laser Doppler vibrometry for delamination detection in composite structures was presented. Delamination detection was based on a guided wave propagation method. In this papers results from numerical and experimental research were presented. In the case of numerical research, the Spectral Element Method (SEM) was utilized, in which a mesh was composed of 3D spectral elements. SEM model included also a piezoelectric transducer. In the experimental research guided waves were excited using the piezoelectric transducer whereas the sensing process was conducted using scanning laser Doppler vibrometer (SLDV). Analysis of guided wave propagation and its interaction with delamination was based on a full wavefield approach. Attention was focused on interactions of guided waves with delamination manifested by A0 mode reflection, A0 mode entrapment, and S0/A0 mode conversion. Delamination was simulated by a teflon insert located between plies of composite material. Results of interaction with symmetrically and nonsymmetrical placed delamination (in respect to the composite sample thickness) were presented. Moreover, the authors investigated different size of delaminations. Damage detection was based on a new signal processing algorithm proposed by the authors. In this approach the weighted RMS was utilized selectively. It means that the summation in RMS formula was performed only for a specially selected time instances. Results for simple composite panels, panel with honeycomb core, and real stiffened composite panel from the aircraft were presented.

Seismoelectric Effects based on Spectral-Element Method for Subsurface Fluid Characterization

NASA Astrophysics Data System (ADS)

Morency, C.

2017-12-01

Present approaches for subsurface imaging rely predominantly on seismic techniques, which alone do not capture fluid properties and related mechanisms. On the other hand, electromagnetic (EM) measurements add constraints on the fluid phase through electrical conductivity and permeability, but EM signals alone do not offer information of the solid structural properties. In the recent years, there have been many efforts to combine both seismic and EM data for exploration geophysics. The most popular approach is based on joint inversion of seismic and EM data, as decoupled phenomena, missing out the coupled nature of seismic and EM phenomena such as seismoeletric effects. Seismoelectric effects are related to pore fluid movements with respect to the solid grains. By analyzing coupled poroelastic seismic and EM signals, one can capture a pore scale behavior and access both structural and fluid properties.Here, we model the seismoelectric response by solving the governing equations derived by Pride and Garambois (1994), which correspond to Biot's poroelastic wave equations and Maxwell's electromagnetic wave equations coupled electrokinetically. We will show that these coupled wave equations can be numerically implemented by taking advantage of viscoelastic-electromagnetic mathematical equivalences. These equations will be solved using a spectral-element method (SEM). The SEM, in contrast to finite-element methods (FEM) uses high degree Lagrange polynomials. Not only does this allow the technique to handle complex geometries similarly to FEM, but it also retains exponential convergence and accuracy due to the use of high degree polynomials. Finally, we will discuss how this is a first step toward full coupled seismic-EM inversion to improve subsurface fluid characterization. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Scanning Electron Microscope-Cathodoluminescence Analysis of Rare-Earth Elements in Magnets.

PubMed

Imashuku, Susumu; Wagatsuma, Kazuaki; Kawai, Jun

2016-02-01

Scanning electron microscope-cathodoluminescence (SEM-CL) analysis was performed for neodymium-iron-boron (NdFeB) and samarium-cobalt (Sm-Co) magnets to analyze the rare-earth elements present in the magnets. We examined the advantages of SEM-CL analysis over conventional analytical methods such as SEM-energy-dispersive X-ray (EDX) spectroscopy and SEM-wavelength-dispersive X-ray (WDX) spectroscopy for elemental analysis of rare-earth elements in NdFeB magnets. Luminescence spectra of chloride compounds of elements in the magnets were measured by the SEM-CL method. Chloride compounds were obtained by the dropwise addition of hydrochloric acid on the magnets followed by drying in vacuum. Neodymium, praseodymium, terbium, and dysprosium were separately detected in the NdFeB magnets, and samarium was detected in the Sm-Co magnet by the SEM-CL method. In contrast, it was difficult to distinguish terbium and dysprosium in the NdFeB magnet with a dysprosium concentration of 1.05 wt% by conventional SEM-EDX analysis. Terbium with a concentration of 0.02 wt% in an NdFeB magnet was detected by SEM-CL analysis, but not by conventional SEM-WDX analysis. SEM-CL analysis is advantageous over conventional SEM-EDX and SEM-WDX analyses for detecting trace rare-earth elements in NdFeB magnets, particularly dysprosium and terbium.

A two-step FEM-SEM approach for wave propagation analysis in cable structures

NASA Astrophysics Data System (ADS)

Zhang, Songhan; Shen, Ruili; Wang, Tao; De Roeck, Guido; Lombaert, Geert

2018-02-01

Vibration-based methods are among the most widely studied in structural health monitoring (SHM). It is well known, however, that the low-order modes, characterizing the global dynamic behaviour of structures, are relatively insensitive to local damage. Such local damage may be easier to detect by methods based on wave propagation which involve local high frequency behaviour. The present work considers the numerical analysis of wave propagation in cables. A two-step approach is proposed which allows taking into account the cable sag and the distribution of the axial forces in the wave propagation analysis. In the first step, the static deformation and internal forces are obtained by the finite element method (FEM), taking into account geometric nonlinear effects. In the second step, the results from the static analysis are used to define the initial state of the dynamic analysis which is performed by means of the spectral element method (SEM). The use of the SEM in the second step of the analysis allows for a significant reduction in computational costs as compared to a FE analysis. This methodology is first verified by means of a full FE analysis for a single stretched cable. Next, simulations are made to study the effects of damage in a single stretched cable and a cable-supported truss. The results of the simulations show how damage significantly affects the high frequency response, confirming the potential of wave propagation based methods for SHM.

Higher-order triangular spectral element method with optimized cubature points for seismic wavefield modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Youshan, E-mail: ysliu@mail.iggcas.ac.cn; Teng, Jiwen, E-mail: jwteng@mail.iggcas.ac.cn; Xu, Tao, E-mail: xutao@mail.iggcas.ac.cn

2017-05-01

The mass-lumped method avoids the cost of inverting the mass matrix and simultaneously maintains spatial accuracy by adopting additional interior integration points, known as cubature points. To date, such points are only known analytically in tensor domains, such as quadrilateral or hexahedral elements. Thus, the diagonal-mass-matrix spectral element method (SEM) in non-tensor domains always relies on numerically computed interpolation points or quadrature points. However, only the cubature points for degrees 1 to 6 are known, which is the reason that we have developed a p-norm-based optimization algorithm to obtain higher-order cubature points. In this way, we obtain and tabulate newmore » cubature points with all positive integration weights for degrees 7 to 9. The dispersion analysis illustrates that the dispersion relation determined from the new optimized cubature points is comparable to that of the mass and stiffness matrices obtained by exact integration. Simultaneously, the Lebesgue constant for the new optimized cubature points indicates its surprisingly good interpolation properties. As a result, such points provide both good interpolation properties and integration accuracy. The Courant–Friedrichs–Lewy (CFL) numbers are tabulated for the conventional Fekete-based triangular spectral element (TSEM), the TSEM with exact integration, and the optimized cubature-based TSEM (OTSEM). A complementary study demonstrates the spectral convergence of the OTSEM. A numerical example conducted on a half-space model demonstrates that the OTSEM improves the accuracy by approximately one order of magnitude compared to the conventional Fekete-based TSEM. In particular, the accuracy of the 7th-order OTSEM is even higher than that of the 14th-order Fekete-based TSEM. Furthermore, the OTSEM produces a result that can compete in accuracy with the quadrilateral SEM (QSEM). The high accuracy of the OTSEM is also tested with a non-flat topography model. In terms of computational efficiency, the OTSEM is more efficient than the Fekete-based TSEM, although it is slightly costlier than the QSEM when a comparable numerical accuracy is required. - Highlights: • Higher-order cubature points for degrees 7 to 9 are developed. • The effects of quadrature rule on the mass and stiffness matrices has been conducted. • The cubature points have always positive integration weights. • Freeing from the inversion of a wide bandwidth mass matrix. • The accuracy of the TSEM has been improved in about one order of magnitude.« less

Spectral element modelling of fault-plane reflections arising from fluid pressure distributions

USGS Publications Warehouse

Haney, M.; Snieder, R.; Ampuero, J.-P.; Hofmann, R.

2007-01-01

The presence of fault-plane reflections in seismic images, besides indicating the locations of faults, offers a possible source of information on the properties of these poorly understood zones. To better understand the physical mechanism giving rise to fault-plane reflections in compacting sedimentary basins, we numerically model the full elastic wavefield via the spectral element method (SEM) for several different fault models. Using well log data from the South Eugene Island field, offshore Louisiana, we derive empirical relationships between the elastic parameters (e.g. P-wave velocity and density) and the effective-stress along both normal compaction and unloading paths. These empirical relationships guide the numerical modelling and allow the investigation of how differences in fluid pressure modify the elastic wavefield. We choose to simulate the elastic wave equation via SEM since irregular model geometries can be accommodated and slip boundary conditions at an interface, such as a fault or fracture, are implemented naturally. The method we employ for including a slip interface retains the desirable qualities of SEM in that it is explicit in time and, therefore, does not require the inversion of a large matrix. We performa complete numerical study by forward modelling seismic shot gathers over a faulted earth model using SEM followed by seismic processing of the simulated data. With this procedure, we construct post-stack time-migrated images of the kind that are routinely interpreted in the seismic exploration industry. We dip filter the seismic images to highlight the fault-plane reflections prior to making amplitude maps along the fault plane. With these amplitude maps, we compare the reflectivity from the different fault models to diagnose which physical mechanism contributes most to observed fault reflectivity. To lend physical meaning to the properties of a locally weak fault zone characterized as a slip interface, we propose an equivalent-layer model under the assumption of weak scattering. This allows us to use the empirical relationships between density, velocity and effective stress from the South Eugene Island field to relate a slip interface to an amount of excess pore-pressure in a fault zone. ?? 2007 The Authors Journal compilation ?? 2007 RAS.

3-D frequency-domain seismic wave modelling in heterogeneous, anisotropic media using a Gaussian quadrature grid approach

NASA Astrophysics Data System (ADS)

Zhou, Bing; Greenhalgh, S. A.

2011-01-01

We present an extension of the 3-D spectral element method (SEM), called the Gaussian quadrature grid (GQG) approach, to simulate in the frequency-domain seismic waves in 3-D heterogeneous anisotropic media involving a complex free-surface topography and/or sub-surface geometry. It differs from the conventional SEM in two ways. The first is the replacement of the hexahedral element mesh with 3-D Gaussian quadrature abscissae to directly sample the physical properties or model parameters. This gives a point-gridded model which more exactly and easily matches the free-surface topography and/or any sub-surface interfaces. It does not require that the topography be highly smooth, a condition required in the curved finite difference method and the spectral method. The second is the derivation of a complex-valued elastic tensor expression for the perfectly matched layer (PML) model parameters for a general anisotropic medium, whose imaginary parts are determined by the PML formulation rather than having to choose a specific class of viscoelastic material. Furthermore, the new formulation is much simpler than the time-domain-oriented PML implementation. The specified imaginary parts of the density and elastic moduli are valid for arbitrary anisotropic media. We give two numerical solutions in full-space homogeneous, isotropic and anisotropic media, respectively, and compare them with the analytical solutions, as well as show the excellent effectiveness of the PML model parameters. In addition, we perform numerical simulations for 3-D seismic waves in a heterogeneous, anisotropic model incorporating a free-surface ridge topography and validate the results against the 2.5-D modelling solution, and demonstrate the capability of the approach to handle realistic situations.

On modelling three-dimensional piezoelectric smart structures with boundary spectral element method

NASA Astrophysics Data System (ADS)

Zou, Fangxin; Aliabadi, M. H.

2017-05-01

The computational efficiency of the boundary element method in elastodynamic analysis can be significantly improved by employing high-order spectral elements for boundary discretisation. In this work, for the first time, the so-called boundary spectral element method is utilised to formulate the piezoelectric smart structures that are widely used in structural health monitoring (SHM) applications. The resultant boundary spectral element formulation has been validated by the finite element method (FEM) and physical experiments. The new formulation has demonstrated a lower demand on computational resources and a higher numerical stability than commercial FEM packages. Comparing to the conventional boundary element formulation, a significant reduction in computational expenses has been achieved. In summary, the boundary spectral element formulation presented in this paper provides a highly efficient and stable mathematical tool for the development of SHM applications.

Spectral/ hp element methods: Recent developments, applications, and perspectives

NASA Astrophysics Data System (ADS)

Xu, Hui; Cantwell, Chris D.; Monteserin, Carlos; Eskilsson, Claes; Engsig-Karup, Allan P.; Sherwin, Spencer J.

2018-02-01

The spectral/ hp element method combines the geometric flexibility of the classical h-type finite element technique with the desirable numerical properties of spectral methods, employing high-degree piecewise polynomial basis functions on coarse finite element-type meshes. The spatial approximation is based upon orthogonal polynomials, such as Legendre or Chebychev polynomials, modified to accommodate a C 0 - continuous expansion. Computationally and theoretically, by increasing the polynomial order p, high-precision solutions and fast convergence can be obtained and, in particular, under certain regularity assumptions an exponential reduction in approximation error between numerical and exact solutions can be achieved. This method has now been applied in many simulation studies of both fundamental and practical engineering flows. This paper briefly describes the formulation of the spectral/ hp element method and provides an overview of its application to computational fluid dynamics. In particular, it focuses on the use of the spectral/ hp element method in transitional flows and ocean engineering. Finally, some of the major challenges to be overcome in order to use the spectral/ hp element method in more complex science and engineering applications are discussed.

AxiSEM3D: broadband seismic wavefields in 3-D aspherical Earth models

NASA Astrophysics Data System (ADS)

Leng, K.; Nissen-Meyer, T.; Zad, K. H.; van Driel, M.; Al-Attar, D.

2017-12-01

Seismology is the primary tool for data-informed inference of Earth structure and dynamics. Simulating seismic wave propagation at a global scale is fundamental to seismology, but remains as one of most challenging problems in scientific computing, because of both the multiscale nature of Earth's interior and the observable frequency band of seismic data. We present a novel numerical method to simulate global seismic wave propagation in realistic 3-D Earth models. Our method, named AxiSEM3D, is a hybrid of spectral element method and pseudospectral method. It reduces the azimuthal dimension of wavefields by means of a global Fourier series parameterization, of which the number of terms can be locally adapted to the inherent azimuthal smoothness of the wavefields. AxiSEM3D allows not only for material heterogeneities, such as velocity, density, anisotropy and attenuation, but also for finite undulations on radial discontinuities, both solid-solid and solid-fluid, and thereby a variety of aspherical Earth features such as ellipticity, topography, variable crustal thickness, and core-mantle boundary topography. Such interface undulations are equivalently interpreted as material perturbations of the contiguous media, based on the "particle relabelling transformation". Efficiency comparisons show that AxiSEM3D can be 1 to 3 orders of magnitude faster than conventional 3-D methods, with the speedup increasing with simulation frequency and decreasing with model complexity, but for all realistic structures the speedup remains at least one order of magnitude. The observable frequency range of global seismic data (up to 1 Hz) has been covered for wavefield modelling upon a 3-D Earth model with reasonable computing resources. We show an application of surface wave modelling within a state-of-the-art global crustal model (Crust1.0), with the synthetics compared to real data. The high-performance C++ code is released at github.com/AxiSEM3D/AxiSEM3D.

Cubature versus Fekete-Gauss nodes for spectral element methods on simplicial meshes

NASA Astrophysics Data System (ADS)

Pasquetti, Richard; Rapetti, Francesca

2017-10-01

In a recent JCP paper [9], a higher order triangular spectral element method (TSEM) is proposed to address seismic wave field modeling. The main interest of this TSEM is that the mass matrix is diagonal, so that an explicit time marching becomes very cheap. This property results from the fact that, similarly to the usual SEM (say QSEM), the basis functions are Lagrange polynomials based on a set of points that shows both nice interpolation and quadrature properties. In the quadrangle, i.e. for the QSEM, the set of points is simply obtained by tensorial product of Gauss-Lobatto-Legendre (GLL) points. In the triangle, finding such an appropriate set of points is however not trivial. Thus, the work of [9] follows anterior works that started in 2000's [2,6,11] and now provides cubature nodes and weights up to N = 9, where N is the total degree of the polynomial approximation. Here we wish to evaluate the accuracy of this cubature nodes TSEM with respect to the Fekete-Gauss one, see e.g.[12], that makes use of two sets of points, namely the Fekete points and the Gauss points of the triangle for interpolation and quadrature, respectively. Because the Fekete-Gauss TSEM is in the spirit of any nodal hp-finite element methods, one may expect that the conclusions of this Note will remain relevant if using other sets of carefully defined interpolation points.

Advances and future directions of research on spectral methods

NASA Technical Reports Server (NTRS)

Patera, A. T.

1986-01-01

Recent advances in spectral methods are briefly reviewed and characterized with respect to their convergence and computational complexity. Classical finite element and spectral approaches are then compared, and spectral element (or p-type finite element) approximations are introduced. The method is applied to the full Navier-Stokes equations, and examples are given of the application of the technique to several transitional flows. Future directions of research in the field are outlined.

Seismic Wave Propagation in Fully Anisotropic Axisymmetric Media: Applications and Practical Considerations

NASA Astrophysics Data System (ADS)

van Driel, Martin; Nissen-Meyer, Tarje; Stähler, Simon; Waszek, Lauren; Hempel, Stefanie; Auer, Ludwig; Deuss, Arwen

2014-05-01

We present a numerical method to compute high-frequency 3D elastic waves in fully anisotropic axisymmetric media. The method is based on a decomposition of the wavefield into a series of uncoupled 2D equations, for which the dependence of the wavefield on the azimuth can be solved analytically. The remaining 2D problems are then solved using a spectral element method (AxiSEM). AxiSEM was recently published open-source (Nissen-Meyer et al. 2014) as a production ready code capable to compute global seismic wave propagation up to frequencies of ~2Hz. It accurately models visco-elastic dissipation and anisotropy (van Driel et al., submitted to GJI) and runs efficiently on HPC resources using up to 10K cores. At very short period, the Fresnel Zone of body waves is narrow and sensitivity is focused around the geometrical ray. In cases where the azimuthal variations of structural heterogeneity exhibit long spatial wavelengths, so called 2.5D simulations (3D wavefields in 2D models) provide a good approximation. In AxiSEM, twodimensional variations in the source-receiver plane are effectively modelled as ringlike structures extending in the out-of-plane direction. In contrast to ray-theory, which is widely used in high-frequency applications, AxiSEM provides complete waveforms, thus giving access to frequency dependency, amplitude variations, and peculiar wave effects such as diffraction and caustics. Here we focus on the practical implications of the inherent axisymmetric geometry and show how the 2.5D-features of our method method can be used to model realistic anisotropic structures, by applying it to problems such as the D" region and the inner core.

Nonconforming mortar element methods: Application to spectral discretizations

NASA Technical Reports Server (NTRS)

Maday, Yvon; Mavriplis, Cathy; Patera, Anthony

1988-01-01

Spectral element methods are p-type weighted residual techniques for partial differential equations that combine the generality of finite element methods with the accuracy of spectral methods. Presented here is a new nonconforming discretization which greatly improves the flexibility of the spectral element approach as regards automatic mesh generation and non-propagating local mesh refinement. The method is based on the introduction of an auxiliary mortar trace space, and constitutes a new approach to discretization-driven domain decomposition characterized by a clean decoupling of the local, structure-preserving residual evaluations and the transmission of boundary and continuity conditions. The flexibility of the mortar method is illustrated by several nonconforming adaptive Navier-Stokes calculations in complex geometry.

Synthesis and spectral characterization of Zn(II) microsphere series for antimicrobial application

NASA Astrophysics Data System (ADS)

Singh, Ajay K.; Pandey, Sarvesh K.; Pandey, O. P.; Sengupta, S. K.

2014-09-01

Microsphere series have been synthesized by reacting zinc(II) acetate dihydrate with Schiff bases derived from 2-hydrazino-5-[substituted phenyl]-1,3,4-thiadiazole/oxadiazole/triazole with salicylaldehyde. Elemental analysis suggests that the complexes have 1:2 and 1:1 stoichiometry of the type [Zn(L)2(H2O)2] and [Zn(L‧)(H2O)2]; LH = Schiff bases derived from 2-hydrazino-5-[substituted phenyl]-1,3,4-thia/oxadiazole with salicylaldehyde; L‧H2 = Schiff bases derived from 3-(substituted phenyl)-4-amino-5-hydrazino-1,2,4-triazole and salicylaldehyde and were characterized by elemental analyses, IR, 1H NMR and 13C NMR spectral data. Scanning electron microscopy (SEM) showed that synthesized materials have microsphere like structure and there EDX analysis comparably matches with elemental analysis. For the antimicrobial application Schiff bases and their zinc(II) complexes were screened for four bacteria e.g. Bacillus subtilis, Pseudomonas aeruginosa, Salmonella typhi, Streptococcus pyogenes and four fungi e.g. Cyrtomium falcatum, Aspergillus niger, Fusarium oxysporium and Curvularia pallescence by the reported method. Schiff base and Zn(II) compounds showed significant antimicrobial activities. However, activities increase upon chelation. Thermal analysis (TGA) data of compound (10) showed its stability up to 300 °C.

Rigorous quantitative elemental microanalysis by scanning electron microscopy/energy dispersive x-ray spectrometry (SEM/EDS) with spectrum processing by NIST DTSA-II

NASA Astrophysics Data System (ADS)

Newbury, Dale E.; Ritchie, Nicholas W. M.

2014-09-01

Quantitative electron-excited x-ray microanalysis by scanning electron microscopy/silicon drift detector energy dispersive x-ray spectrometry (SEM/SDD-EDS) is capable of achieving high accuracy and high precision equivalent to that of the high spectral resolution wavelength dispersive x-ray spectrometer even when severe peak interference occurs. The throughput of the SDD-EDS enables high count spectra to be measured that are stable in calibration and resolution (peak shape) across the full deadtime range. With this high spectral stability, multiple linear least squares peak fitting is successful for separating overlapping peaks and spectral background. Careful specimen preparation is necessary to remove topography on unknowns and standards. The standards-based matrix correction procedure embedded in the NIST DTSA-II software engine returns quantitative results supported by a complete error budget, including estimates of the uncertainties from measurement statistics and from the physical basis of the matrix corrections. NIST DTSA-II is available free for Java-platforms at: http://www.cstl.nist.gov/div837/837.02/epq/dtsa2/index.html).

Application of the Spectral Element Method to Acoustic Radiation

NASA Technical Reports Server (NTRS)

Doyle, James F.; Rizzi, Stephen A. (Technical Monitor)

2000-01-01

This report summarizes research to develop a capability for analysis of interior noise in enclosed structures when acoustically excited by an external random source. Of particular interest was the application to the study of noise and vibration transmission in thin-walled structures as typified by aircraft fuselages. Three related topics are focused upon. The first concerns the development of a curved frame spectral element, the second shows how the spectral element method for wave propagation in folded plate structures is extended to problems involving curved segmented plates. These are of significance because by combining these curved spectral elements with previously presented flat spectral elements, the dynamic response of geometrically complex structures can be determined. The third topic shows how spectral elements, which incorporate the effect of fluid loading on the structure, are developed for analyzing acoustic radiation from dynamically loaded extended plates.

3-D numerical simulations of earthquake ground motion in sedimentary basins: testing accuracy through stringent models

NASA Astrophysics Data System (ADS)

Chaljub, Emmanuel; Maufroy, Emeline; Moczo, Peter; Kristek, Jozef; Hollender, Fabrice; Bard, Pierre-Yves; Priolo, Enrico; Klin, Peter; de Martin, Florent; Zhang, Zhenguo; Zhang, Wei; Chen, Xiaofei

2015-04-01

Differences between 3-D numerical predictions of earthquake ground motion in the Mygdonian basin near Thessaloniki, Greece, led us to define four canonical stringent models derived from the complex realistic 3-D model of the Mygdonian basin. Sediments atop an elastic bedrock are modelled in the 1D-sharp and 1D-smooth models using three homogeneous layers and smooth velocity distribution, respectively. The 2D-sharp and 2D-smooth models are extensions of the 1-D models to an asymmetric sedimentary valley. In all cases, 3-D wavefields include strongly dispersive surface waves in the sediments. We compared simulations by the Fourier pseudo-spectral method (FPSM), the Legendre spectral-element method (SEM) and two formulations of the finite-difference method (FDM-S and FDM-C) up to 4 Hz. The accuracy of individual solutions and level of agreement between solutions vary with type of seismic waves and depend on the smoothness of the velocity model. The level of accuracy is high for the body waves in all solutions. However, it strongly depends on the discrete representation of the material interfaces (at which material parameters change discontinuously) for the surface waves in the sharp models. An improper discrete representation of the interfaces can cause inaccurate numerical modelling of surface waves. For all the numerical methods considered, except SEM with mesh of elements following the interfaces, a proper implementation of interfaces requires definition of an effective medium consistent with the interface boundary conditions. An orthorhombic effective medium is shown to significantly improve accuracy and preserve the computational efficiency of modelling. The conclusions drawn from the analysis of the results of the canonical cases greatly help to explain differences between numerical predictions of ground motion in realistic models of the Mygdonian basin. We recommend that any numerical method and code that is intended for numerical prediction of earthquake ground motion should be verified through stringent models that would make it possible to test the most important aspects of accuracy.

Method of multivariate spectral analysis

DOEpatents

Keenan, Michael R.; Kotula, Paul G.

2004-01-06

A method of determining the properties of a sample from measured spectral data collected from the sample by performing a multivariate spectral analysis. The method can include: generating a two-dimensional matrix A containing measured spectral data; providing a weighted spectral data matrix D by performing a weighting operation on matrix A; factoring D into the product of two matrices, C and S.sup.T, by performing a constrained alternating least-squares analysis of D=CS.sup.T, where C is a concentration intensity matrix and S is a spectral shapes matrix; unweighting C and S by applying the inverse of the weighting used previously; and determining the properties of the sample by inspecting C and S. This method can be used to analyze X-ray spectral data generated by operating a Scanning Electron Microscope (SEM) with an attached Energy Dispersive Spectrometer (EDS).

Multiplex immunoassay for persistent organic pollutants in tilapia: Comparison of imaging- and flow cytometry-based platforms using spectrally encoded paramagnetic microspheres

USDA-ARS?s Scientific Manuscript database

Recent developments in spectrally encoded microspheres (SEMs)-based technologies provide high multiplexing possibilities. Most SEMs-based assays required a flow cytometer with sophisticated fluidics and optics. The new imaging superparamagnetic SEMs-based platform transports SEMs with considerably ...

Induced wettability and surface-volume correlation of composition for bovine bone derived hydroxyapatite particles

NASA Astrophysics Data System (ADS)

Maidaniuc, Andreea; Miculescu, Florin; Voicu, Stefan Ioan; Andronescu, Corina; Miculescu, Marian; Matei, Ecaterina; Mocanu, Aura Catalina; Pencea, Ion; Csaki, Ioana; Machedon-Pisu, Teodor; Ciocan, Lucian Toma

2018-04-01

Hydroxyapatite powders characteristics need to be determined both for quality control purposes and for a proper control of microstructural features of bone reconstruction products. This study combines bulk morphological and compositional analysis methods (XRF, SEM-EDS, FT-IR) with surface-related methods (XPS, contact angle measurements) in order to correlate the characteristics of hydroxyapatite powders derived from bovine bone for its use in medical applications. An experimental approach for correlating the surface and volume composition was designed based on the analysis depth of each spectral method involved in the study. Next, the influences of powder particle size and forming method on the contact angle between water drops and ceramic surface were evaluated for identifying suitable strategies of tuning hydroxyapatite's wettability. The results revealed a preferential arrangement of chemical elements at the surface of hydroxyapatite particles which could induce a favourable material behaviour in terms of sinterability and biological performance.

Apparatus and system for multivariate spectral analysis

DOEpatents

Keenan, Michael R.; Kotula, Paul G.

2003-06-24

An apparatus and system for determining the properties of a sample from measured spectral data collected from the sample by performing a method of multivariate spectral analysis. The method can include: generating a two-dimensional matrix A containing measured spectral data; providing a weighted spectral data matrix D by performing a weighting operation on matrix A; factoring D into the product of two matrices, C and S.sup.T, by performing a constrained alternating least-squares analysis of D=CS.sup.T, where C is a concentration intensity matrix and S is a spectral shapes matrix; unweighting C and S by applying the inverse of the weighting used previously; and determining the properties of the sample by inspecting C and S. This method can be used by a spectrum analyzer to process X-ray spectral data generated by a spectral analysis system that can include a Scanning Electron Microscope (SEM) with an Energy Dispersive Detector and Pulse Height Analyzer.

CAM-SE: A scalable spectral element dynamical core for the Community Atmosphere Model.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dennis, John; Edwards, Jim; Evans, Kate J

2012-01-01

The Community Atmosphere Model (CAM) version 5 includes a spectral element dynamical core option from NCAR's High-Order Method Modeling Environment. It is a continuous Galerkin spectral finite element method designed for fully unstructured quadrilateral meshes. The current configurations in CAM are based on the cubed-sphere grid. The main motivation for including a spectral element dynamical core is to improve the scalability of CAM by allowing quasi-uniform grids for the sphere that do not require polar filters. In addition, the approach provides other state-of-the-art capabilities such as improved conservation properties. Spectral elements are used for the horizontal discretization, while most othermore » aspects of the dynamical core are a hybrid of well tested techniques from CAM's finite volume and global spectral dynamical core options. Here we first give a overview of the spectral element dynamical core as used in CAM. We then give scalability and performance results from CAM running with three different dynamical core options within the Community Earth System Model, using a pre-industrial time-slice configuration. We focus on high resolution simulations of 1/4 degree, 1/8 degree, and T340 spectral truncation.« less

Seismic tomography of the southern California crust based on spectral-element and adjoint methods

NASA Astrophysics Data System (ADS)

Tape, Carl; Liu, Qinya; Maggi, Alessia; Tromp, Jeroen

2010-01-01

We iteratively improve a 3-D tomographic model of the southern California crust using numerical simulations of seismic wave propagation based on a spectral-element method (SEM) in combination with an adjoint method. The initial 3-D model is provided by the Southern California Earthquake Center. The data set comprises three-component seismic waveforms (i.e. both body and surface waves), filtered over the period range 2-30 s, from 143 local earthquakes recorded by a network of 203 stations. Time windows for measurements are automatically selected by the FLEXWIN algorithm. The misfit function in the tomographic inversion is based on frequency-dependent multitaper traveltime differences. The gradient of the misfit function and related finite-frequency sensitivity kernels for each earthquake are computed using an adjoint technique. The kernels are combined using a source subspace projection method to compute a model update at each iteration of a gradient-based minimization algorithm. The inversion involved 16 iterations, which required 6800 wavefield simulations. The new crustal model, m16, is described in terms of independent shear (VS) and bulk-sound (VB) wave speed variations. It exhibits strong heterogeneity, including local changes of +/-30 per cent with respect to the initial 3-D model. The model reveals several features that relate to geological observations, such as sedimentary basins, exhumed batholiths, and contrasting lithologies across faults. The quality of the new model is validated by quantifying waveform misfits of full-length seismograms from 91 earthquakes that were not used in the tomographic inversion. The new model provides more accurate synthetic seismograms that will benefit seismic hazard assessment.

[Rapid determination of major and trace elements in the salt lake clay minerals by X-ray fluorescence spectrometry].

PubMed

Wang, Xiao-Huan; Meng, Qing-Fen; Dong, Ya-Ping; Chen, Mei-Da; Li, Wu

2010-03-01

A rapid multi-element analysis method for clay mineral samples was described. This method utilized a polarized wave-length dispersive X-ray fluorescence spectrometer--Axios PW4400, which had a maximum tube power of 4 000 watts. The method was developed for the determination of As, Mn, Co, Cu, Cr, Dy, Ga, Mo, P, Pb, Rb, S, Sr, Ni, ,Cs, Ta, Th, Ti, U, V, Y, Zn, Zr, MgO, K2O, Na2O, CaO, Fe2O3, Al2O3, SiO2 and so on. Thirty elements in clay mineral species were measured by X-ray fluorescence spectrometry with pressed powder pellets. Spectral interferences, in particular the indirect interferences of each element, were studied. A method to distinguish the interference between each other periodic elements in element periodic table was put forward. The measuring conditions and existence were mainly investigated, and the selected background position as well as corrected spectral overlap for the trace elements were also discussed. It was found that the indirect spectral overlap line was the same important as direct spectral overlap line. Due to inducing the effect of indirect spectral overlap, some elements jlike Bi, Sn, W which do not need analysis were also added to the elements channel. The relative standard deviation (RSD) was in the range of 0.01% to 5.45% except three elements Mo, Cs and Ta. The detection limits, precisions and accuracies for most elements using this method can meet the requirements of sample analysis in clay mineral species.

Michael Sprague | NREL

Science.gov Websites

student, he developed a parallel spectral finite element method for treating the interaction of large mechanics of fluids, structures, and their interaction|Spectral finite-element methods for time-dependent

Assessment of chemicals released in the marine environment by dielectric elastomers useful as active elements in wave energy harvesters.

PubMed

Zaltariov, Mirela-Fernanda; Bele, Adrian; Vasiliu, Lavinia; Gradinaru, Luiza; Vornicu, Nicoleta; Racles, Carmen; Cazacu, Maria

2018-01-05

A series of elastomers, either natural or synthetic (some of them commercial, while others prepared in the laboratory), suitable for use as active elements in devices for wave energy harvesting, were evaluated concerning their behavior and effects on the marine environment. In this aim, the elastomer films, initially evaluated regarding their aspect, structure, surface wettability, and tolerance of microorganisms growth, were immersed in synthetic seawater (SSW) within six months for assessing compounds released. There were analyzed the changes occurred both in the elastomers and salt water in which they were immersed. For this, water samples taken at set time intervals were analyzed by using a sequence of sensitive spectral techniques: UV-vis, IR, and in relevant cases 1 H NMR and electrospray ionization mass spectrometry (ESI-MS), able to detect and identify organic compounds, while after six months, they were also investigated from the point of view of aspect, presence of metal traces, pH, and biological activity. The changes in aspect, structure and morphology of the dielectric films at the end of the dipping period were also evaluated by visual inspection, IR spectroscopy by using spectral subtraction method, and SEM-EDX technique. Copyright © 2017 Elsevier B.V. All rights reserved.

Faults and foibles of quantitative scanning electron microscopy/energy dispersive x-ray spectrometry (SEM/EDS)

NASA Astrophysics Data System (ADS)

Newbury, Dale E.; Ritchie, Nicholas W. M.

2012-06-01

Scanning electron microscopy with energy dispersive x-ray spectrometry (SEM/EDS) is a powerful and flexible elemental analysis method that can identify and quantify elements with atomic numbers > 4 (Be) present as major constituents (where the concentration C > 0.1 mass fraction, or 10 weight percent), minor (0.01<= C <= 0.1) and trace (C < 0.01, with a minimum detectable limit of ~+/- 0.0005 - 0.001 under routine measurement conditions, a level which is analyte and matrix dependent ). SEM/EDS can select specimen volumes with linear dimensions from ~ 500 nm to 5 μm depending on composition (masses ranging from ~ 10 pg to 100 pg) and can provide compositional maps that depict lateral elemental distributions. Despite the maturity of SEM/EDS, which has a history of more than 40 years, and the sophistication of modern analytical software, the method is vulnerable to serious shortcomings that can lead to incorrect elemental identifications and quantification errors that significantly exceed reasonable expectations. This paper will describe shortcomings in peak identification procedures, limitations on the accuracy of quantitative analysis due to specimen topography or failures in physical models for matrix corrections, and quantitative artifacts encountered in xray elemental mapping. Effective solutions to these problems are based on understanding the causes and then establishing appropriate measurement science protocols. NIST DTSA II and Lispix are open source analytical software available free at www.nist.gov that can aid the analyst in overcoming significant limitations to SEM/EDS.

Nail Damage (Severe Onychodystrophy) Induced by Acrylate Glue: Scanning Electron Microscopy and Energy Dispersive X-Ray Investigations

PubMed Central

Pinteala, Tudor; Chiriac, Anca Eduard; Rosca, Irina; Larese Filon, Francesca; Pinteala, Mariana; Chiriac, Anca; Podoleanu, Cristian; Stolnicu, Simona; Coros, Marius Florin; Coroaba, Adina

2017-01-01

Background Scanning electron microscopy (SEM) and energy dispersive X-ray (EDX) techniques have been used in various fields of medical research, including different pathologies of the nails; however, no studies have focused on obtaining high-resolution microscopic images and elemental analysis of disorders caused by synthetic nails and acrylic adhesives. Methods Damaged/injured fingernails caused by the use of acrylate glue and synthetic nails were investigated using SEM and EDX methods. Results SEM and EDX proved that synthetic nails, acrylic glue, and nails damaged by contact with acrylate glue have a different morphology and different composition compared to healthy human nails. Conclusions SEM and EDX analysis can give useful information about the aspects of topography (surface sample), morphology (shape and size), hardness or reflectivity, and the elemental composition of nails. PMID:28232921

Defect induced guided waves mode conversion

NASA Astrophysics Data System (ADS)

Wandowski, Tomasz; Kudela, Pawel; Malinowski, Pawel; Ostachowicz, Wieslaw

2016-04-01

This paper deals with analysis of guided waves mode conversion phenomenon in fiber reinforced composite materials. Mode conversion phenomenon may take place when propagating elastic guided waves interact with discontinuities in the composite waveguide. The examples of such discontinuities are sudden thickness change or delamination between layers in composite material. In this paper, analysis of mode conversion phenomenon is based on full wave-field signals. In the full wave-field approach signals representing propagation of elastic waves are gathered from dense mesh of points that span over investigated area of composite part. This allow to animate the guided wave propagation. The reported analysis is based on signals resulting from numerical calculations and experimental measurements. In both cases defect in the form of delamination is considered. In the case of numerical research, Spectral Element Method (SEM) is utilized, in which a mesh is composed of 3D elements. Numerical model includes also piezoelectric transducer. Full wave-field experimental measurements are conducted by using piezoelectric transducer for guided wave excitation and Scanning Laser Doppler Vibrometer (SLDV) for sensing.

Effect of copper and nickel doping on the optical and structural properties of ZnO

NASA Astrophysics Data System (ADS)

Muǧlu, G. Merhan; Sarıtaş, S.; ćakıcı, T.; Şakar, B.; Yıldırım, M.

2017-02-01

The present study is focused on the Cu doped ZnO and Ni doped ZnO dilute magnetic semiconductor thin films. ZnO:Cu and ZnO:Ni thin films were grown by Chemically Spray Pyrolysis (CSP) method on glass substrates. Optical analysis of the films was done spectral absorption and transmittance measurements by UV-Vis double beam spectrophotometer technique. The structure, morphology, topology and elemental analysis of ZnO:Cu and ZnO:Ni dilute magnetic thin films were investigated by X-ray diffraction (XRD), Raman Analysis, field emission scanning electron microscopy (FE-SEM), energy-dispersive X-ray spectroscopy (EDX), atomic force microscopy (AFM) techniques, respectively. Also The magnetic properties of the ZnO:Ni thin film was investigated by vibrating sample magnetometer (VSM) method. VSM measurements of ZnO:Ni thin film showed that the ferromagnetic behavior.

A well-posed optimal spectral element approximation for the Stokes problem

NASA Technical Reports Server (NTRS)

Maday, Y.; Patera, A. T.; Ronquist, E. M.

1987-01-01

A method is proposed for the spectral element simulation of incompressible flow. This method constitutes in a well-posed optimal approximation of the steady Stokes problem with no spurious modes in the pressure. The resulting method is analyzed, and numerical results are presented for a model problem.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bekar, Kursat B; Miller, Thomas Martin; Patton, Bruce W

The characteristic X-rays produced by the interactions of the electron beam with the sample in a scanning electron microscope (SEM) are usually captured with a variable-energy detector, a process termed energy dispersive spectrometry (EDS). The purpose of this work is to exploit inverse simulations of SEM-EDS spectra to enable rapid determination of sample properties, particularly elemental composition. This is accomplished using penORNL, a modified version of PENELOPE, and a modified version of the traditional Levenberg Marquardt nonlinear optimization algorithm, which together is referred to as MOZAIK-SEM. The overall conclusion of this work is that MOZAIK-SEM is a promising method formore » performing inverse analysis of X-ray spectra generated within a SEM. As this methodology exists now, MOZAIK-SEM has been shown to calculate the elemental composition of an unknown sample within a few percent of the actual composition.« less

Group 12 dithiocarbamate complexes: Synthesis, spectral studies and their use as precursors for metal sulfides nanoparticles and nanocomposites

NASA Astrophysics Data System (ADS)

Ajibade, Peter A.; Ejelonu, Benjamin C.

2013-09-01

Zn(II), Cd(II) and Hg(II) dithiocarbamate complexes have been synthesized and characterized by elemental analysis, thermogravimetric analysis, UV-Vis, FTIR, 1H- and 13C NMR spectroscopy. The complexes were thermolysed at 180 °C and used as single molecule precursors for the synthesis of HDA capped ZnS, CdS and HgS nanoparticles and polymethylmethacrylate (PMMA) nanocomposites. The optical and structural properties of the nanoparticles and nanocomposites were studied by UV-Vis, PL, XRD and SEM. The crystallites sizes of the nanoparticles varied between 3.03 and 23.45 nm. SEM and EDX analyses of the nanocomposites confirmed the presence of the nanoparticles in the polymer matrix.

Optimization-based limiters for the spectral element method

NASA Astrophysics Data System (ADS)

Guba, Oksana; Taylor, Mark; St-Cyr, Amik

2014-06-01

We introduce a new family of optimization based limiters for the h-p spectral element method. The native spectral element advection operator is oscillatory, but due to its mimetic properties it is locally conservative and has a monotone property with respect to element averages. We exploit this property to construct locally conservative quasimonotone and sign-preserving limiters. The quasimonotone limiter prevents all overshoots and undershoots at the element level, but is not strictly non-oscillatory. It also maintains quasimonotonicity even with the addition of a dissipation term such as viscosity or hyperviscosity. The limiters are based on a least-squares formulation with equality and inequality constraints and are local to each element. We evaluate the new limiters using a deformational flow test case for advection on the surface of the sphere. We focus on mesh refinement for moderate (p=3) and high order (p=6) elements. As expected, the spectral element method obtains its formal order of accuracy for smooth problems without limiters. For advection of fields with cusps and discontinuities, the high order convergence is lost, but in all cases, p=6 outperforms p=3 for the same degrees of freedom.

Dispersion analysis of the Pn -Pn-1DG mixed finite element pair for atmospheric modelling

NASA Astrophysics Data System (ADS)

Melvin, Thomas

2018-02-01

Mixed finite element methods provide a generalisation of staggered grid finite difference methods with a framework to extend the method to high orders. The ability to generate a high order method is appealing for applications on the kind of quasi-uniform grids that are popular for atmospheric modelling, so that the method retains an acceptable level of accuracy even around special points in the grid. The dispersion properties of such schemes are important to study as they provide insight into the numerical adjustment to imbalance that is an important component in atmospheric modelling. This paper extends the recent analysis of the P2 - P1DG pair, that is a quadratic continuous and linear discontinuous finite element pair, to higher polynomial orders and also spectral element type pairs. In common with the previously studied element pair, and also with other schemes such as the spectral element and discontinuous Galerkin methods, increasing the polynomial order is found to provide a more accurate dispersion relation for the well resolved part of the spectrum but at the cost of a number of unphysical spectral gaps. The effects of these spectral gaps are investigated and shown to have a varying impact depending upon the width of the gap. Finally, the tensor product nature of the finite element spaces is exploited to extend the dispersion analysis into two-dimensions.

Preconditioned Mixed Spectral Element Methods for Elasticity and Stokes Problems

NASA Technical Reports Server (NTRS)

Pavarino, Luca F.

1996-01-01

Preconditioned iterative methods for the indefinite systems obtained by discretizing the linear elasticity and Stokes problems with mixed spectral elements in three dimensions are introduced and analyzed. The resulting stiffness matrices have the structure of saddle point problems with a penalty term, which is associated with the Poisson ratio for elasticity problems or with stabilization techniques for Stokes problems. The main results of this paper show that the convergence rate of the resulting algorithms is independent of the penalty parameter, the number of spectral elements Nu and mildly dependent on the spectral degree eta via the inf-sup constant. The preconditioners proposed for the whole indefinite system are block-diagonal and block-triangular. Numerical experiments presented in the final section show that these algorithms are a practical and efficient strategy for the iterative solution of the indefinite problems arising from mixed spectral element discretizations of elliptic systems.

Multi-level diffractive optics for single laser exposure fabrication of telecom-band diamond-like 3-dimensional photonic crystals.

PubMed

Chanda, Debashis; Abolghasemi, Ladan E; Haque, Moez; Ng, Mi Li; Herman, Peter R

2008-09-29

We present a novel multi-level diffractive optical element for diffractive optic near-field lithography based fabrication of large-area diamond-like photonic crystal structure in a single laser exposure step. A multi-level single-surface phase element was laser fabricated on a thin polymer film by two-photon polymerization. A quarter-period phase shift was designed into the phase elements to generate a 3D periodic intensity distribution of double basis diamond-like structure. Finite difference time domain calculation of near-field diffraction patterns and associated isointensity surfaces are corroborated by definitive demonstration of a diamond-like woodpile structure formed inside thick photoresist. A large number of layers provided a strong stopband in the telecom band that matched predictions of numerical band calculation. SEM and spectral observations indicate good structural uniformity over large exposure area that promises 3D photonic crystal devices with high optical quality for a wide range of motif shapes and symmetries. Optical sensing is demonstrated by spectral shifts of the Gamma-Zeta stopband under liquid emersion.

A Comparison of Spectral Element and Finite Difference Methods Using Statically Refined Nonconforming Grids for the MHD Island Coalescence Instability Problem

NASA Astrophysics Data System (ADS)

Ng, C. S.; Rosenberg, D.; Pouquet, A.; Germaschewski, K.; Bhattacharjee, A.

2009-04-01

A recently developed spectral-element adaptive refinement incompressible magnetohydrodynamic (MHD) code [Rosenberg, Fournier, Fischer, Pouquet, J. Comp. Phys. 215, 59-80 (2006)] is applied to simulate the problem of MHD island coalescence instability (\\ci) in two dimensions. \\ci is a fundamental MHD process that can produce sharp current layers and subsequent reconnection and heating in a high-Lundquist number plasma such as the solar corona [Ng and Bhattacharjee, Phys. Plasmas, 5, 4028 (1998)]. Due to the formation of thin current layers, it is highly desirable to use adaptively or statically refined grids to resolve them, and to maintain accuracy at the same time. The output of the spectral-element static adaptive refinement simulations are compared with simulations using a finite difference method on the same refinement grids, and both methods are compared to pseudo-spectral simulations with uniform grids as baselines. It is shown that with the statically refined grids roughly scaling linearly with effective resolution, spectral element runs can maintain accuracy significantly higher than that of the finite difference runs, in some cases achieving close to full spectral accuracy.

Characterizing crustal and uppermost mantle anisotropy with a depth-dependent tilted hexagonally symmetric elastic tensor: theory and examples

NASA Astrophysics Data System (ADS)

Feng, L.; Xie, J.; Ritzwoller, M. H.

2017-12-01

Two major types of surface wave anisotropy are commonly observed by seismologists but are only rarely interpreted jointly: apparent radial anisotropy, which is the difference in propagation speed between horizontally and vertically polarized waves inferred from Love and Rayleigh waves, and apparent azimuthal anisotropy, which is the directional dependence of surface wave speeds (usually Rayleigh waves). We describe a method of inversion that interprets simultaneous observations of radial and azimuthal anisotropy under the assumption of a hexagonally symmetric elastic tensor with a tilted symmetry axis defined by dip and strike angles. With a full-waveform numerical solver based on the spectral element method (SEM), we verify the validity of the forward theory used for the inversion. We also present two examples, in the US and Tibet, in which we have successfully applied the tomographic method to demonstrate that the two types of apparent anisotropy can be interpreted jointly as a tilted hexagonally symmetric medium.

Group 12 dithiocarbamate complexes: synthesis, spectral studies and their use as precursors for metal sulfides nanoparticles and nanocomposites.

PubMed

Ajibade, Peter A; Ejelonu, Benjamin C

2013-09-01

Zn(II), Cd(II) and Hg(II) dithiocarbamate complexes have been synthesized and characterized by elemental analysis, thermogravimetric analysis, UV-Vis, FTIR, (1)H- and (13)C NMR spectroscopy. The complexes were thermolysed at 180 °C and used as single molecule precursors for the synthesis of HDA capped ZnS, CdS and HgS nanoparticles and polymethylmethacrylate (PMMA) nanocomposites. The optical and structural properties of the nanoparticles and nanocomposites were studied by UV-Vis, PL, XRD and SEM. The crystallites sizes of the nanoparticles varied between 3.03 and 23.45 nm. SEM and EDX analyses of the nanocomposites confirmed the presence of the nanoparticles in the polymer matrix. Copyright © 2013 Elsevier B.V. All rights reserved.

Direct numerical simulations of a reacting turbulent mixing layer by a pseudospectral-spectral element method

NASA Technical Reports Server (NTRS)

Mcmurtry, Patrick A.; Givi, Peyman

1992-01-01

An account is given of the implementation of the spectral-element technique for simulating a chemically reacting, spatially developing turbulent mixing layer. Attention is given to experimental and numerical studies that have investigated the development, evolution, and mixing characteristics of shear flows. A mathematical formulation is presented of the physical configuration of the spatially developing reacting mixing layer, in conjunction with a detailed representation of the spectral-element method's application to the numerical simulation of mixing layers. Results from 2D and 3D calculations of chemically reacting mixing layers are given.

Numerical Modeling of 3D Seismic Wave Propagation around Yogyakarta, the Southern Part of Central Java, Indonesia, Using Spectral-Element Method on MPI-GPU Cluster

NASA Astrophysics Data System (ADS)

Sudarmaji; Rudianto, Indra; Eka Nurcahya, Budi

2018-04-01

A strong tectonic earthquake with a magnitude of 5.9 Richter scale has been occurred in Yogyakarta and Central Java on May 26, 2006. The earthquake has caused severe damage in Yogyakarta and the southern part of Central Java, Indonesia. The understanding of seismic response of earthquake among ground shaking and the level of building damage is important. We present numerical modeling of 3D seismic wave propagation around Yogyakarta and the southern part of Central Java using spectral-element method on MPI-GPU (Graphics Processing Unit) computer cluster to observe its seismic response due to the earthquake. The homogeneous 3D realistic model is generated with detailed topography surface. The influences of free surface topography and layer discontinuity of the 3D model among the seismic response are observed. The seismic wave field is discretized using spectral-element method. The spectral-element method is solved on a mesh of hexahedral elements that is adapted to the free surface topography and the internal discontinuity of the model. To increase the data processing capabilities, the simulation is performed on a GPU cluster with implementation of MPI (Message Passing Interface).

Determination of rare-earth elements in Luna 16 regolith sample by chemical spectral method

NASA Technical Reports Server (NTRS)

Stroganova, N. S.; Ryabukhin, V. A.; Laktinova, N. V.; Ageyeva, L. V.; Galkina, I. P.; Gatinskaya, N. G.; Yermakov, A. N.; Karyakin, A. V.

1974-01-01

An analysis was made of regolith from layer A of the Luna 16 sample for rare earth elements, by a chemical spectral method. Chemical and ion exchange concentrations were used to determine the content of 12 elements and Y at the level 0.001 to 0.0001 percent with 10 to 15 percent reproducibility of the emission determination. Results within the limits of reproducibility agree with data obtained by mass spectra, activation, and X-ray fluorescent methods.

Spectral element multigrid. Part 2: Theoretical justification

NASA Technical Reports Server (NTRS)

Maday, Yvon; Munoz, Rafael

1988-01-01

A multigrid algorithm is analyzed which is used for solving iteratively the algebraic system resulting from tha approximation of a second order problem by spectral or spectral element methods. The analysis, performed here in the one dimensional case, justifies the good smoothing properties of the Jacobi preconditioner that was presented in Part 1 of this paper.

Assessing the capability of numerical methods to predict earthquake ground motion: the Euroseistest verification and validation project

NASA Astrophysics Data System (ADS)

Chaljub, E. O.; Bard, P.; Tsuno, S.; Kristek, J.; Moczo, P.; Franek, P.; Hollender, F.; Manakou, M.; Raptakis, D.; Pitilakis, K.

2009-12-01

During the last decades, an important effort has been dedicated to develop accurate and computationally efficient numerical methods to predict earthquake ground motion in heterogeneous 3D media. The progress in methods and increasing capability of computers have made it technically feasible to calculate realistic seismograms for frequencies of interest in seismic design applications. In order to foster the use of numerical simulation in practical prediction, it is important to (1) evaluate the accuracy of current numerical methods when applied to realistic 3D applications where no reference solution exists (verification) and (2) quantify the agreement between recorded and numerically simulated earthquake ground motion (validation). Here we report the results of the Euroseistest verification and validation project - an ongoing international collaborative work organized jointly by the Aristotle University of Thessaloniki, Greece, the Cashima research project (supported by the French nuclear agency, CEA, and the Laue-Langevin institute, ILL, Grenoble), and the Joseph Fourier University, Grenoble, France. The project involves more than 10 international teams from Europe, Japan and USA. The teams employ the Finite Difference Method (FDM), the Finite Element Method (FEM), the Global Pseudospectral Method (GPSM), the Spectral Element Method (SEM) and the Discrete Element Method (DEM). The project makes use of a new detailed 3D model of the Mygdonian basin (about 5 km wide, 15 km long, sediments reach about 400 m depth, surface S-wave velocity is 200 m/s). The prime target is to simulate 8 local earthquakes with magnitude from 3 to 5. In the verification, numerical predictions for frequencies up to 4 Hz for a series of models with increasing structural and rheological complexity are analyzed and compared using quantitative time-frequency goodness-of-fit criteria. Predictions obtained by one FDM team and the SEM team are close and different from other predictions (consistent with the ESG2006 exercise which targeted the Grenoble Valley). Diffractions off the basin edges and induced surface-wave propagation mainly contribute to differences between predictions. The differences are particularly large in the elastic models but remain important also in models with attenuation. In the validation, predictions are compared with the recordings by a local array of 19 surface and borehole accelerometers. The level of agreement is found event-dependent. For the largest-magnitude event the agreement is surprisingly good even at high frequencies.

Structural and electrical properties of CZTS thin films by electrodeposition

NASA Astrophysics Data System (ADS)

Rao, M. C.; Basha, Sk. Shahenoor

2018-06-01

CZTS (Cu2ZnSnS4) thin films were coated on ITO glass substrates by single bath electrodeposition technique. The prepared films were subsequently characterized by XRD, SEM, FTIR, UV-visible spectroscopy and Raman studies. The thickness of the thin films was measured by wedge method. X-ray diffraction studies revealed the formation of polycrystalline phase. The morphological surface of the prepared thin films was examined by SEM and AFM and showed the presence of microcrystals on the surface of the samples. The elemental analysis and their compositional ratios present in the samples were confirmed by the energy dispersive X-ray analysis. Functional groups and the position of band structure involved in the materials were confirmed by FTIR. Optical absorption studies were performed on the prepared thin films in the wavelength ranging from 300 to 1000 nm and the energy bandgap values were found to be in the range from 1.39 to 1.60 eV. Raman spectral peak which was observed at 360 cm-1 correspond to kesterite phase, was formed due to the vibration of the molecules. Electrical measurements confirmed the nature of the thin film depending on the charge concentration present in the samples.

Spectral methods for CFD

NASA Technical Reports Server (NTRS)

Zang, Thomas A.; Streett, Craig L.; Hussaini, M. Yousuff

1989-01-01

One of the objectives of these notes is to provide a basic introduction to spectral methods with a particular emphasis on applications to computational fluid dynamics. Another objective is to summarize some of the most important developments in spectral methods in the last two years. The fundamentals of spectral methods for simple problems will be covered in depth, and the essential elements of several fluid dynamical applications will be sketched.

The spectral cell method in nonlinear earthquake modeling

NASA Astrophysics Data System (ADS)

Giraldo, Daniel; Restrepo, Doriam

2017-12-01

This study examines the applicability of the spectral cell method (SCM) to compute the nonlinear earthquake response of complex basins. SCM combines fictitious-domain concepts with the spectral-version of the finite element method to solve the wave equations in heterogeneous geophysical domains. Nonlinear behavior is considered by implementing the Mohr-Coulomb and Drucker-Prager yielding criteria. We illustrate the performance of SCM with numerical examples of nonlinear basins exhibiting physically and computationally challenging conditions. The numerical experiments are benchmarked with results from overkill solutions, and using MIDAS GTS NX, a finite element software for geotechnical applications. Our findings show good agreement between the two sets of results. Traditional spectral elements implementations allow points per wavelength as low as PPW = 4.5 for high-order polynomials. Our findings show that in the presence of nonlinearity, high-order polynomials (p ≥ 3) require mesh resolutions above of PPW ≥ 10 to ensure displacement errors below 10%.

Green synthesis of nano sized transition metal complexes containing heterocyclic Schiff base: Structural and morphology characterization and bioactivity study

NASA Astrophysics Data System (ADS)

Jawoor, Shailaja S.; Patil, Sangamesh A.; Kumbar, Mahantesh; Ramawadgi, Prashant B.

2018-07-01

In the current involvement of our research work in coordination chemistry, novel transition metal complexes were synthesized from regular reflux method and hydrothermal method using Schiff base prepared via condensation of ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate with 8-carbaldehyde-7-hydroxy-4-methylcoumarin. All the synthesized compounds were interpreted using different analytical, physicochemical and spectral methods such as magnetic moment measurement, FT-IR, 1H and 13C NMR, GCMS/ESI-MS, UV/Vis spectroscopy and TGA. The size and morphology of the nano metal complexes were determined using atomic force microscope (AFM), field emission scanning electron spectroscopy (FE-SEM) and X-ray powder diffraction (PXRD). The non-electrolytic nature of the metal complexes was confirmed by molar conductance studies. The obtained FT-IR data supports the binding of metal ion to Schiff base. Elemental analysis study suggests [ML2(H2O)2] stoichiometry, here M = Co(II), Ni(II) and Cu(II), L = deprotonated ligand. Electronic spectral results reveal six-coordinated geometry for the synthesized metal complexes. All the tested compounds show good DNA cleavage (Calf Thymus DNA) and in vitro anticancer activity (PA-I cell line), the activity results for the tested compounds are prominent and compound 9 exhibited a little enhanced activity than the other tested compounds.

Coupling finite element and spectral methods: First results

NASA Technical Reports Server (NTRS)

Bernardi, Christine; Debit, Naima; Maday, Yvon

1987-01-01

A Poisson equation on a rectangular domain is solved by coupling two methods: the domain is divided in two squares, a finite element approximation is used on the first square and a spectral discretization is used on the second one. Two kinds of matching conditions on the interface are presented and compared. In both cases, error estimates are proved.

Application of the Spectral Element Method to Interior Noise Problems

NASA Technical Reports Server (NTRS)

Doyle, James F.

1998-01-01

The primary effort of this research project was focused the development of analytical methods for the accurate prediction of structural acoustic noise and response. Of particular interest was the development of curved frame and shell spectral elements for the efficient computational of structural response and of schemes to match this to the surrounding fluid.

A New High-Order Spectral Difference Method for Simulating Viscous Flows on Unstructured Grids with Mixed Elements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Mao; Qiu, Zihua; Liang, Chunlei

In the present study, a new spectral difference (SD) method is developed for viscous flows on meshes with a mixture of triangular and quadrilateral elements. The standard SD method for triangular elements, which employs Lagrangian interpolating functions for fluxes, is not stable when the designed accuracy of spatial discretization is third-order or higher. Unlike the standard SD method, the method examined here uses vector interpolating functions in the Raviart-Thomas (RT) spaces to construct continuous flux functions on reference elements. Studies have been performed for 2D wave equation and Euler equa- tions. Our present results demonstrated that the SDRT method ismore » stable and high-order accurate for a number of test problems by using triangular-, quadrilateral-, and mixed- element meshes.« less

Synthesis and spectral studies on Cd(II) dithiocarbamate complexes and their use as precursors for CdS nanoparticles

NASA Astrophysics Data System (ADS)

Sathiyaraj, Ethiraj; Padmavathy, Krishnaraj; Kumar, Chandran Udhaya; Krishnan, Kannan Gokula; Ramalingan, Chennan

2017-11-01

Bis(N-cyclopropyl-N-4-chlorobenzyldithiocarbamato-S,S‧)cadmium(II) (1) and (2,2‧-bipyridine) bis(N-cyclopropyl-N-4-chlorobenzyldithiocarbamato-S,S‧)cadmium(II) (2) have been synthesized and characterized by FT-IR, 1HNMR and 13C NMR analyses. For the complex 2, single crystal X-ray diffraction analysis and computational studies (optimized geometry, HOMO-LUMO and MEP) have been executed employing DFT/B3LYP method with LANL 2DZ basic set. The optimized bond lengths and bond angles agree well with the experimental results. The complexes 1 and 2 have been used as single source precursors for the synthesis of ethyleneglycol capped CdS1 and CdS2 nanoparticles, respectively. CdS1 and CdS2 nanoparticles have been synthesized by solvothermal method. PXRD, SEM, Elemental colour mapping, EDAX, TEM and UV-Vis spectroscopy have been used to characterize the as-prepared CdS nanoparticles. The X-ray diffraction pattern confirms both their hexagonal structures.

Wave propagation modeling in composites reinforced by randomly oriented fibers

NASA Astrophysics Data System (ADS)

Kudela, Pawel; Radzienski, Maciej; Ostachowicz, Wieslaw

2018-02-01

A new method for prediction of elastic constants in randomly oriented fiber composites is proposed. It is based on mechanics of composites, the rule of mixtures and total mass balance tailored to the spectral element mesh composed of 3D brick elements. Selected elastic properties predicted by the proposed method are compared with values obtained by another theoretical method. The proposed method is applied for simulation of Lamb waves in glass-epoxy composite plate reinforced by randomly oriented fibers. Full wavefield measurements conducted by the scanning laser Doppler vibrometer are in good agreement with simulations performed by using the time domain spectral element method.

Guided wave propagation and spectral element method for debonding damage assessment in RC structures

NASA Astrophysics Data System (ADS)

Wang, Ying; Zhu, Xinqun; Hao, Hong; Ou, Jinping

2009-07-01

A concrete-steel interface spectral element is developed to study the guided wave propagation along the steel rebar in the concrete. Scalar damage parameters characterizing changes in the interface (debonding damage) are incorporated into the formulation of the spectral finite element that is used for damage detection of reinforced concrete structures. Experimental tests are carried out on a reinforced concrete beam with embedded piezoelectric elements to verify the performance of the proposed model and algorithm. Parametric studies are performed to evaluate the effect of different damage scenarios on wave propagation in the reinforced concrete structures. Numerical simulations and experimental results show that the method is effective to model wave propagation along the steel rebar in concrete and promising to detect damage in the concrete-steel interface.

Optimization of compressive 4D-spatio-spectral snapshot imaging

NASA Astrophysics Data System (ADS)

Zhao, Xia; Feng, Weiyi; Lin, Lihua; Su, Wu; Xu, Guoqing

2017-10-01

In this paper, a modified 3D computational reconstruction method in the compressive 4D-spectro-volumetric snapshot imaging system is proposed for better sensing spectral information of 3D objects. In the design of the imaging system, a microlens array (MLA) is used to obtain a set of multi-view elemental images (EIs) of the 3D scenes. Then, these elemental images with one dimensional spectral information and different perspectives are captured by the coded aperture snapshot spectral imager (CASSI) which can sense the spectral data cube onto a compressive 2D measurement image. Finally, the depth images of 3D objects at arbitrary depths, like a focal stack, are computed by inversely mapping the elemental images according to geometrical optics. With the spectral estimation algorithm, the spectral information of 3D objects is also reconstructed. Using a shifted translation matrix, the contrast of the reconstruction result is further enhanced. Numerical simulation results verify the performance of the proposed method. The system can obtain both 3D spatial information and spectral data on 3D objects using only one single snapshot, which is valuable in the agricultural harvesting robots and other 3D dynamic scenes.

Spectral K-edge subtraction imaging

NASA Astrophysics Data System (ADS)

Zhu, Y.; Samadi, N.; Martinson, M.; Bassey, B.; Wei, Z.; Belev, G.; Chapman, D.

2014-05-01

We describe a spectral x-ray transmission method to provide images of independent material components of an object using a synchrotron x-ray source. The imaging system and process is similar to K-edge subtraction (KES) imaging where two imaging energies are prepared above and below the K-absorption edge of a contrast element and a quantifiable image of the contrast element and a water equivalent image are obtained. The spectral method, termed ‘spectral-KES’ employs a continuous spectrum encompassing an absorption edge of an element within the object. The spectrum is prepared by a bent Laue monochromator with good focal and energy dispersive properties. The monochromator focuses the spectral beam at the object location, which then diverges onto an area detector such that one dimension in the detector is an energy axis. A least-squares method is used to interpret the transmitted spectral data with fits to either measured and/or calculated absorption of the contrast and matrix material-water. The spectral-KES system is very simple to implement and is comprised of a bent Laue monochromator, a stage for sample manipulation for projection and computed tomography imaging, and a pixelated area detector. The imaging system and examples of its applications to biological imaging are presented. The system is particularly well suited for a synchrotron bend magnet beamline with white beam access.

Microscopy and microanalysis 1996

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bailey, G.W.; Corbett, J.M.; Dimlich, R.V.W.

1996-12-31

The Proceedings of this Annual Meeting contain paper of members from the three societies. These proceedings emphasizes the common research interests and attempts to eliminate some unwanted overlap. Topics covered are: microscopic analysis of animals with altered gene expression and in-situ gene and antibody localizations, high-resolution elemental mapping of nucleoprofein interactions, plant biology and pathology, quantitative HREM analysis of perfect and defected materials, computational methods for TEM image analysis, high-resolution FESM in materials research, frontiers in polymer microscopy and microanalysis, oxidation and corrosion, micro XRD and XRF, molecular microspectroscopy and spectral imaging, advances in confocal and multidimensional light microscopy, analyticalmore » electron microscopy in biology, correlative microscopy in biological sciences, grain-boundary microengineering, surfaces and interfaces, telepresence microscopy in education and research, MSA educational outreach, quantitative electron probe microanalysis, frontiers of analytical electron microscopy, critical issues in ceramic microstructures, dynamic organization of the cell, pathology, microbiology, high-resolution biological and cryo SEM, and scanning-probe microscopy.« less

Synthesis, spectral and quantum chemical studies on NO-chelating sulfamonomethoxine-cyclophosph(V)azane and its Er(III) complex.

PubMed

Alaghaz, Abdel-Nasser M A; Ammar, Reda A A; Koehler, Gottfried; Wolschann, Karl Peter; El-Gogary, Tarek M

2014-07-15

Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of novel ethane-1,2-diol-dichlorocyclophosph(V)azane of sulfamonomethoxine (L), and its binuclear Er(III) complex. Different tautomers of the ligand were optimized at the ab initio DFT level. Keto-form structure is about 15.8 kcal/mol more stable than the enol form (taking zpe correction into account). Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which show good agreement with measured electronic spectra. The structures of the novel isolated products are proposed based on elemental analyses, IR, UV-VIS, (1)H NMR, (31)P NMR, SEM, XRD spectra, effective magnetic susceptibility measurements and thermogravimetric analysis (TGA). Copyright © 2014 Elsevier B.V. All rights reserved.

A Data Matrix Method for Improving the Quantification of Element Percentages of SEM/EDX Analysis

NASA Technical Reports Server (NTRS)

Lane, John

2009-01-01

A simple 2D M N matrix involving sample preparation enables the microanalyst to peer below the noise floor of element percentages reported by the SEM/EDX (scanning electron microscopy/ energy dispersive x-ray) analysis, thus yielding more meaningful data. Using the example of a 2 3 sample set, there are M = 2 concentration levels of the original mix under test: 10 percent ilmenite (90 percent silica) and 20 percent ilmenite (80 percent silica). For each of these M samples, N = 3 separate SEM/EDX samples were drawn. In this test, ilmenite is the element of interest. By plotting the linear trend of the M sample s known concentration versus the average of the N samples, a much higher resolution of elemental analysis can be performed. The resulting trend also shows how the noise is affecting the data, and at what point (of smaller concentrations) is it impractical to try to extract any further useful data.

The Spectral Element Method for Geophysical Flows

NASA Astrophysics Data System (ADS)

Taylor, Mark

1998-11-01

We will describe SEAM, a Spectral Element Atmospheric Model. SEAM solves the 3D primitive equations used in climate modeling and medium range forecasting. SEAM uses a spectral element discretization for the surface of the globe and finite differences in the vertical direction. The model is spectrally accurate, as demonstrated by a variety of test cases. It is well suited for modern distributed-shared memory computers, sustaining over 24 GFLOPS on a 240 processor HP Exemplar. This performance has allowed us to run several interesting simulations in full spherical geometry at high resolution (over 22 million grid points).

Inversion of Robin coefficient by a spectral stochastic finite element approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin Bangti; Zou Jun

2008-03-01

This paper investigates a variational approach to the nonlinear stochastic inverse problem of probabilistically calibrating the Robin coefficient from boundary measurements for the steady-state heat conduction. The problem is formulated into an optimization problem, and mathematical properties relevant to its numerical computations are investigated. The spectral stochastic finite element method using polynomial chaos is utilized for the discretization of the optimization problem, and its convergence is analyzed. The nonlinear conjugate gradient method is derived for the optimization system. Numerical results for several two-dimensional problems are presented to illustrate the accuracy and efficiency of the stochastic finite element method.

In Situ Characterization of Boehmite Particles in Water Using Liquid SEM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yao, Juan; Arey, Bruce W.; Yang, Li

In situ imaging and elemental analysis of boehmite (AlOOH) particles in water is realized using the System for Analysis at the Liquid Vacuum Interface (SALVI) and Scanning Electron Microscopy (SEM). This paper describes the method and key steps in integrating the vacuum compatible SAVLI to SEM and obtaining secondary electron (SE) images of particles in liquid in high vacuum. Energy dispersive x-ray spectroscopy (EDX) is used to obtain elemental analysis of particles in liquid. A synthesized AlOOH particle is used as a model in the liquid SEM illustration. Our results demonstrate that particles can be imaged in the SE modemore » with good resolution. The AlOOH EDX spectrum shows significant signal from the Al compared with deionized water and the empty channel control. In situ liquid SEM is a powerful technique to study particles in liquid with many exciting applications. This procedure aims to provide technical details in how to conduct liquid SEM imaging and EDX analysis using SALVI and reduce potential pitfalls using this approach for other researchers.« less

Velocity and Attenuation Structure of the Tibetan Lithosphere using Seismic Attributes of P-waves from Regional Earthquakes Recorded by the Hi-CLIMB Array

NASA Astrophysics Data System (ADS)

Nowack, R. L.; Bakir, A. C.; Griffin, J.; Chen, W.; Tseng, T.

2010-12-01

Using data from regional earthquakes recorded by the Hi-CLIMB array in Tibet, we utilize seismic attributes from crustal and Pn arrivals to constrain the velocity and attenuation structure in the crust and the upper mantle in central and western Tibet. The seismic attributes considered include arrival times, Hilbert envelope amplitudes, and instantaneous as well as spectral frequencies. We have constructed more than 30 high-quality regional seismic profiles, and of these, 10 events have been selected with excellent crustal and Pn arrivals for further analysis. Travel-times recorded by the Hi-CLIMB array are used to estimate the large-scale velocity structure in the region, with four near regional events to the array used to constrain the crustal structure. The travel times from the far regional events indicate that the Moho beneath the southern Lhasa terrane is up to 75 km thick, with Pn velocities greater than 8 km/s. In contrast, the data sampling the Qiangtang terrane north of the Bangong-Nujiang (BNS) suture shows thinner crust with Pn velocities less than 8 km/s. Seismic amplitude and frequency attributes have been extracted from the crustal and Pn wave trains, and these data are compared with numerical results for models with upper-mantle velocity gradients and attenuation, which can strongly affect Pn amplitudes and pulse frequencies. The numerical modeling is performed using the complete spectral element method (SEM), where the results from the SEM method are in good agreement with analytical and reflectivity results for different models with upper-mantle velocity gradients. The results for the attenuation modeling in Tibet imply lower upper mantle Q values in the Qiangtang terrane to the north of the BNS compared to the less attenuative upper mantle beneath the Lhasa terrane to the south of the BNS.

A fully-coupled discontinuous Galerkin spectral element method for two-phase flow in petroleum reservoirs

NASA Astrophysics Data System (ADS)

Taneja, Ankur; Higdon, Jonathan

2018-01-01

A high-order spectral element discontinuous Galerkin method is presented for simulating immiscible two-phase flow in petroleum reservoirs. The governing equations involve a coupled system of strongly nonlinear partial differential equations for the pressure and fluid saturation in the reservoir. A fully implicit method is used with a high-order accurate time integration using an implicit Rosenbrock method. Numerical tests give the first demonstration of high order hp spatial convergence results for multiphase flow in petroleum reservoirs with industry standard relative permeability models. High order convergence is shown formally for spectral elements with up to 8th order polynomials for both homogeneous and heterogeneous permeability fields. Numerical results are presented for multiphase fluid flow in heterogeneous reservoirs with complex geometric or geologic features using up to 11th order polynomials. Robust, stable simulations are presented for heterogeneous geologic features, including globally heterogeneous permeability fields, anisotropic permeability tensors, broad regions of low-permeability, high-permeability channels, thin shale barriers and thin high-permeability fractures. A major result of this paper is the demonstration that the resolution of the high order spectral element method may be exploited to achieve accurate results utilizing a simple cartesian mesh for non-conforming geological features. Eliminating the need to mesh to the boundaries of geological features greatly simplifies the workflow for petroleum engineers testing multiple scenarios in the face of uncertainty in the subsurface geology.

Including Short Period Constraints In the Construction of Full Waveform Tomographic Models

NASA Astrophysics Data System (ADS)

Roy, C.; Calo, M.; Bodin, T.; Romanowicz, B. A.

2015-12-01

Thanks to the introduction of the Spectral Element Method (SEM) in seismology, which allows accurate computation of the seismic wavefield in complex media, the resolution of regional and global tomographic models has improved in recent years. However, due to computational costs, only long period waveforms are considered, and only long wavelength structure can be constrained. Thus, the resulting 3D models are smooth, and only represent a small volumetric perturbation around a smooth reference model that does not include upper-mantle discontinuities (e.g. MLD, LAB). Extending the computations to shorter periods, necessary for the resolution of smaller scale features, is computationally challenging. In order to overcome these limitations and to account for layered structure in the upper mantle in our full waveform tomography, we include information provided by short period seismic observables (receiver functions and surface wave dispersion), sensitive to sharp boundaries and anisotropic structure respectively. In a first step, receiver functions and dispersion curves are used to generate a number of 1D radially anisotropic shear velocity profiles using a trans-dimensional Markov-chain Monte Carlo (MCMC) algorithm. These 1D profiles include both isotropic and anisotropic discontinuities in the upper mantle (above 300 km depth) beneath selected stationsand are then used to build a 3D starting model for the full waveform tomographic inversion. This model is built after 1) interpolation between the available 1D profiles, and 2) homogeneization of the layered 1D models to obtain an equivalent smooth 3D starting model in the period range of interest for waveform inversion. The waveforms used in the inversion are collected for paths contained in the region of study and filtered at periods longer than 40s. We use the spectral element code "RegSEM" (Cupillard et al., 2012) for forward computations and a quasi-Newton inversion approach in which kernels are computed using normal mode perturbation theory. We present here the first reults of such an approach after successive iterations of a full waveform tomography of the North American continent.

Constraints on Lateral S Wave Velocity Gradients around the Pacific Superplume

NASA Astrophysics Data System (ADS)

To, A.; Romanowicz, B.

2006-12-01

Global shear velocity tomographic models show two large-scale low velocity structures in the lower mantle, under southern Africa and under the mid-Pacific. While tomographic models show the shape of the structures, the gradient and amplitude of the anomalies are yet to be constrained. By forward modelling of Sdiffracted phases using the Coupled Spectral ELement Method (C-SEM, Capdeville et al., 2003), we have previously shown that observed secondary phases following the Sdiff can be explained by interaction of the wavefield with sharp boundaries of the superplumes in the south Indian and south Pacific ocean (To et al., 2005). Here, we search for further constrains on velocity gradients at the border of the Pacific superplume all around the Pacific using a multi-step approach applied to a large dataset of Sdiffracted travel times and waveforms which are sensitive to the lower most mantle. We first apply our finite frequency tomographic inversion methodology (NACT, Li and Romanowicz, 1996) which provides a good starting 3D model, which in particular allows us to position the fast and slow anomalies and their boundaries quite well, as has been shown previously, but underestimates the gradients and velocity contrasts. We then perform forward modelling of Sdiff travel times, taking into account finite frequency effects, to refine the velocity contrasts and gradients and provides the next iteration 3D model. We then perform forward modelling of waveforms, down to a frequency of 0.06Hz, using C-SEM which provides final adjustments to the model. We present a model which shows that we can constrain sharp gradients on the southern and northern edges of the Pacific Superplume. To, A., B. Romanowicz, Y. Capdeville and N. Takeuchi (2005) 3D effects of sharp boundaries at the borders of the African and Pacific Superplumes: Observation and modeling. Earth and Planetary Sceince Letters, 233: 137-153 Capdeville, Y., A. To and B. Romanowicz (2003) Coupling spectral elements and modes in a spherical earth: an extension to the "sandwich" case. Geophys. J. Int., 154: 44-57 Li, X.D. and B. Romanowicz (1996) Global mantle shear velocity model developed using nonlinear asymptotic coupling theory, J. Geophys. Res., 101, 22,245-22,273

Factorizing the factorization - a spectral-element solver for elliptic equations with linear operation count

NASA Astrophysics Data System (ADS)

Huismann, Immo; Stiller, Jörg; Fröhlich, Jochen

2017-10-01

The paper proposes a novel factorization technique for static condensation of a spectral-element discretization matrix that yields a linear operation count of just 13N multiplications for the residual evaluation, where N is the total number of unknowns. In comparison to previous work it saves a factor larger than 3 and outpaces unfactored variants for all polynomial degrees. Using the new technique as a building block for a preconditioned conjugate gradient method yields linear scaling of the runtime with N which is demonstrated for polynomial degrees from 2 to 32. This makes the spectral-element method cost effective even for low polynomial degrees. Moreover, the dependence of the iterative solution on the element aspect ratio is addressed, showing only a slight increase in the number of iterations for aspect ratios up to 128. Hence, the solver is very robust for practical applications.

Surface characterization of stainless HP-40 steel using laser induced μ-breakdown spectroscopy (μ -LIBS)

NASA Astrophysics Data System (ADS)

Pinto, M.; Calderón, X.; Mejía Ospino, E.; Cabanzo, R.; Poveda, Juan C.

2016-02-01

In the present study, optical microscopy in stereoscopic mode coupled to laser- induced p-breakdown spectroscopy (μ-LIBS) was applied for analysing HP-40 steel samples. microLIBS (μ-LIBS) is a new growing area that employs low energy laser pulses for the generation of plasma emission, which allow the realization of localized microanalysis [1]. This new LIBS instrument was used for the surface characterization of the steel samples in the spectral range from 356 to 401nm. Elements such as Cr, Ni, Fe, Nb, Pb, Mo, C, Mn and Si in the steel samples were investigated. The results allowed the construction of elemental distribution profiles of the samples. Complementary the HP-40 steel samples were superficially characterized by Scanning Electron Microscope (SEM).

Line-width roughness of advanced semiconductor features by using FIB and planar-TEM as reference metrology

NASA Astrophysics Data System (ADS)

Takamasu, Kiyoshi; Takahashi, Satoru; Kawada, Hiroki; Ikota, Masami

2018-03-01

LER (Line Edge Roughness) and LWR (Line Width Roughness) of the semiconductor device are an important evaluation scale of the performance of the device. Conventionally, LER and LWR is evaluated from CD-SEM (Critical Dimension Scanning Electron Microscope) images. However, CD-SEM measurement has a problem that high frequency random noise is large, and resolution is not sufficiently high. For random noise of CD-SEM measurement, some techniques are proposed. In these methods, it is necessary to set parameters for model and processing, and it is necessary to verify the correctness of these parameters using reference metrology. We have already proposed a novel reference metrology using FIB (Focused Ion Beam) process and planar-TEM (Transmission Electron Microscope) method. In this study, we applied the proposed method to three new samples such as SAQP (Self-Aligned Quadruple Patterning) FinFET device, EUV (Extreme Ultraviolet Lithography) conventional resist, and EUV new material resist. LWR and PSD (Power Spectral Density) of LWR are calculated from the edge positions on planar-TEM images. We confirmed that LWR and PSD of LWR can be measured with high accuracy and evaluated the difference by the proposed method. Furthermore, from comparisons with PSD of the same sample by CD-SEM, the validity of measurement of PSD and LWR by CD-SEM can be verified.

Calibration-Free Laser-Induced Breakdown Spectroscopy (CF-LIBS) with Standard Reference Line for the Analysis of Stainless Steel.

PubMed

Fu, Hongbo; Dong, Fengzhong; Wang, Huadong; Jia, Junwei; Ni, Zhibo

2017-08-01

In this work, calibration-free laser-induced breakdown spectroscopy (CF-LIBS) is used to analyze a certified stainless steel sample. Due to self-absorption of the spectral lines from the major element Fe and the sparse lines of trace elements, it is usually not easy to construct the Boltzmann plots of all species. A standard reference line method is proposed here to solve this difficulty under the assumption of local thermodynamic equilibrium so that the same temperature value for all elements present into the plasma can be considered. Based on the concentration and rich spectral lines of Fe, the Stark broadening of Fe(I) 381.584 nm and Saha-Boltzmann plots of this element are used to calculate the electron density and the plasma temperature, respectively. In order to determine the plasma temperature accurately, which is seriously affected by self-absorption, a pre-selection procedure for eliminating those spectral lines with strong self-absorption is employed. Then, one spectral line of each element is selected to calculate its corresponding concentration. The results from the standard reference lines with and without self-absorption of Fe are compared. This method allows us to measure trace element content and effectively avoid the adverse effects due to self-absorption.

Serial sectioning for examination of photoreceptor cell architecture by focused ion beam technology

PubMed Central

Mustafi, Debarshi; Avishai, Amir; Avishai, Nanthawan; Engel, Andreas; Heuer, Arthur; Palczewski, Krzysztof

2011-01-01

Structurally deciphering complex neural networks requires technology with sufficient resolution to allow visualization of single cells and their intimate surrounding connections. Scanning electron microscopy (SEM), coupled with serial ion ablation (SIA) technology, presents a new avenue to study these networks. SIA allows ion ablation to remove nanometer sections of tissue for SEM imaging, resulting in serial section data collection for three-dimensional reconstruction. Here we highlight a method for preparing retinal tissues for imaging of photoreceptors by SIA-SEM technology. We show that this technique can be used to visualize whole rod photoreceptors and the internal disc elements from wild-type (wt) mice. The distance parameters of the discs and photoreceptors are in good agreement with previous work with other methods. Moreover, we show that large planes of retinal tissue can be imaged at high resolution to display the packing of normal rods. Finally, SIA-SEM imaging of retinal tissue from a mouse model (Nrl−/−) with phenotypic changes akin to the human disease enhanced S-cone syndrome (ESCS) revealed a structural profile of overall photoreceptor ultrastructure and internal elements that accompany this disease. Overall, this work presents a new method to study photoreceptor cells at high structural resolution that has a broad applicability to the visual neuroscience field. PMID:21439323

Comparing the detection of iron-based pottery pigment on a carbon-coated sherd by SEM-EDS and by Micro-XRF-SEM.

PubMed

Pendleton, Michael W; Washburn, Dorothy K; Ellis, E Ann; Pendleton, Bonnie B

2014-03-01

The same sherd was analyzed using a scanning electron microscope with energy dispersive spectroscopy (SEM-EDS) and a micro X-ray fluorescence tube attached to a scanning electron microscope (Micro-XRF-SEM) to compare the effectiveness of elemental detection of iron-based pigment. To enhance SEM-EDS mapping, the sherd was carbon coated. The carbon coating was not required to produce Micro-XRF-SEM maps but was applied to maintain an unbiased comparison between the systems. The Micro-XRF-SEM analysis was capable of lower limits of detection than that of the SEM-EDS system, and therefore the Micro-XRF-SEM system could produce elemental maps of elements not easily detected by SEM-EDS mapping systems. Because SEM-EDS and Micro-XRF-SEM have been used for imaging and chemical analysis of biological samples, this comparison of the detection systems should be useful to biologists, especially those involved in bone or tooth (hard tissue) analysis.

Comparing the Detection of Iron-Based Pottery Pigment on a Carbon-Coated Sherd by SEM-EDS and by Micro-XRF-SEM

PubMed Central

Pendleton, Michael W.; Washburn, Dorothy K.; Ellis, E. Ann; Pendleton, Bonnie B.

2014-01-01

The same sherd was analyzed using a scanning electron microscope with energy dispersive spectroscopy (SEM-EDS) and a micro X-ray fluorescence tube attached to a scanning electron microscope (Micro-XRF-SEM) to compare the effectiveness of elemental detection of iron-based pigment. To enhance SEM-EDS mapping, the sherd was carbon coated. The carbon coating was not required to produce Micro-XRF-SEM maps but was applied to maintain an unbiased comparison between the systems. The Micro-XRF-SEM analysis was capable of lower limits of detection than that of the SEM-EDS system, and therefore the Micro-XRF-SEM system could produce elemental maps of elements not easily detected by SEM-EDS mapping systems. Because SEM-EDS and Micro-XRF-SEM have been used for imaging and chemical analysis of biological samples, this comparison of the detection systems should be useful to biologists, especially those involved in bone or tooth (hard tissue) analysis. PMID:24600333

Wavelength Scanning with a Tilting Interference Filter for Glow-Discharge Elemental Imaging.

PubMed

Storey, Andrew P; Ray, Steven J; Hoffmann, Volker; Voronov, Maxim; Engelhard, Carsten; Buscher, Wolfgang; Hieftje, Gary M

2017-06-01

Glow discharges have long been used for depth profiling and bulk analysis of solid samples. In addition, over the past decade, several methods of obtaining lateral surface elemental distributions have been introduced, each with its own strengths and weaknesses. Challenges for each of these techniques are acceptable optical throughput and added instrumental complexity. Here, these problems are addressed with a tilting-filter instrument. A pulsed glow discharge is coupled to an optical system comprising an adjustable-angle tilting filter, collimating and imaging lenses, and a gated, intensified charge-coupled device (CCD) camera, which together provide surface elemental mapping of solid samples. The tilting-filter spectrometer is instrumentally simpler, produces less image distortion, and achieves higher optical throughput than a monochromator-based instrument, but has a much more limited tunable spectral range and poorer spectral resolution. As a result, the tilting-filter spectrometer is limited to single-element or two-element determinations, and only when the target spectral lines fall within an appropriate spectral range and can be spectrally discerned. Spectral interferences that result from heterogeneous impurities can be flagged and overcome by observing the spatially resolved signal response across the available tunable spectral range. The instrument has been characterized and evaluated for the spatially resolved analysis of glow-discharge emission from selected but representative samples.

Spectral Interferences Manganese (Mn) - Europium (Eu) Lines in X-Ray Fluorescence Spectrometry Spectrum

NASA Astrophysics Data System (ADS)

Tanc, Beril; Kaya, Mustafa; Gumus, Lokman; Kumral, Mustafa

2016-04-01

X-ray fluorescence (XRF) spectrometry is widely used for quantitative and semi quantitative analysis of many major, minor and trace elements in geological samples. Some advantages of the XRF method are; non-destructive sample preparation, applicability for powder, solid, paste and liquid samples and simple spectrum that are independent from chemical state. On the other hand, there are some disadvantages of the XRF methods such as poor sensitivity for low atomic number elements, matrix effect (physical matrix effects, such as fine versus course grain materials, may impact XRF performance) and interference effect (the spectral lines of elements may overlap distorting results for one or more elements). Especially, spectral interferences are very significant factors for accurate results. In this study, semi-quantitative analyzed manganese (II) oxide (MnO, 99.99%) was examined. Samples were pelleted and analyzed with XRF spectrometry (Bruker S8 Tiger). Unexpected peaks were obtained at the side of the major Mn peaks. Although sample does not contain Eu element, in results 0,3% Eu2O3 was observed. These result can occur high concentration of MnO and proximity of Mn and Eu lines. It can be eliminated by using correction equation or Mn concentration can confirm with other methods (such as Atomic absorption spectroscopy). Keywords: Spectral Interferences; Manganese (Mn); Europium (Eu); X-Ray Fluorescence Spectrometry Spectrum.

In Situ Characterization of Boehmite Particles in Water Using Liquid SEM.

PubMed

Yao, Juan; Arey, Bruce W; Yang, Li; Zhang, Fei; Komorek, Rachel; Chun, Jaehun; Yu, Xiao-Ying

2017-09-27

In situ imaging and elemental analysis of boehmite (AlOOH) particles in water is realized using the System for Analysis at the Liquid Vacuum Interface (SALVI) and Scanning Electron Microscopy (SEM). This paper describes the method and key steps in integrating the vacuum compatible SAVLI to SEM and obtaining secondary electron (SE) images of particles in liquid in high vacuum. Energy dispersive x-ray spectroscopy (EDX) is used to obtain elemental analysis of particles in liquid and control samples including deionized (DI) water only and an empty channel as well. Synthesized boehmite (AlOOH) particles suspended in liquid are used as a model in the liquid SEM illustration. The results demonstrate that the particles can be imaged in the SE mode with good resolution (i.e., 400 nm). The AlOOH EDX spectrum shows significant signal from the aluminum (Al) when compared with the DI water and the empty channel control. In situ liquid SEM is a powerful technique to study particles in liquid with many exciting applications. This procedure aims to provide technical know-how in order to conduct liquid SEM imaging and EDX analysis using SALVI and to reduce potential pitfalls when using this approach.

Infrared Reflectance Analysis of Epitaxial n-Type Doped GaN Layers Grown on Sapphire.

PubMed

Tsykaniuk, Bogdan I; Nikolenko, Andrii S; Strelchuk, Viktor V; Naseka, Viktor M; Mazur, Yuriy I; Ware, Morgan E; DeCuir, Eric A; Sadovyi, Bogdan; Weyher, Jan L; Jakiela, Rafal; Salamo, Gregory J; Belyaev, Alexander E

2017-12-01

Infrared (IR) reflectance spectroscopy is applied to study Si-doped multilayer n + /n 0 /n + -GaN structure grown on GaN buffer with GaN-template/sapphire substrate. Analysis of the investigated structure by photo-etching, SEM, and SIMS methods showed the existence of the additional layer with the drastic difference in Si and O doping levels and located between the epitaxial GaN buffer and template. Simulation of the experimental reflectivity spectra was performed in a wide frequency range. It is shown that the modeling of IR reflectance spectrum using 2 × 2 transfer matrix method and including into analysis the additional layer make it possible to obtain the best fitting of the experimental spectrum, which follows in the evaluation of GaN layer thicknesses which are in good agreement with the SEM and SIMS data. Spectral dependence of plasmon-LO-phonon coupled modes for each GaN layer is obtained from the spectral dependence of dielectric of Si doping impurity, which is attributed to compensation effects by the acceptor states.

Maximum entropy formalism for the analytic continuation of matrix-valued Green's functions

NASA Astrophysics Data System (ADS)

Kraberger, Gernot J.; Triebl, Robert; Zingl, Manuel; Aichhorn, Markus

2017-10-01

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended for spectral functions that are possibly negative in some frequency ranges. In that way, all matrix elements of the Green's function matrix can be analytically continued; we introduce a computationally cheap element-wise method for this purpose. However, this method cannot ensure important constraints on the mathematical properties of the resulting spectral functions, namely positive semidefiniteness and Hermiticity. To improve on this, we present a full matrix formalism, where all matrix elements are treated simultaneously. We show the capabilities of these methods using insulating and metallic dynamical mean-field theory (DMFT) Green's functions as test cases. Finally, we apply the methods to realistic material calculations for LaTiO3, where off-diagonal matrix elements in the Green's function appear due to the distorted crystal structure.

Finite and spectral cell method for wave propagation in heterogeneous materials

NASA Astrophysics Data System (ADS)

Joulaian, Meysam; Duczek, Sascha; Gabbert, Ulrich; Düster, Alexander

2014-09-01

In the current paper we present a fast, reliable technique for simulating wave propagation in complex structures made of heterogeneous materials. The proposed approach, the spectral cell method, is a combination of the finite cell method and the spectral element method that significantly lowers preprocessing and computational expenditure. The spectral cell method takes advantage of explicit time-integration schemes coupled with a diagonal mass matrix to reduce the time spent on solving the equation system. By employing a fictitious domain approach, this method also helps to eliminate some of the difficulties associated with mesh generation. Besides introducing a proper, specific mass lumping technique, we also study the performance of the low-order and high-order versions of this approach based on several numerical examples. Our results show that the high-order version of the spectral cell method together requires less memory storage and less CPU time than other possible versions, when combined simultaneously with explicit time-integration algorithms. Moreover, as the implementation of the proposed method in available finite element programs is straightforward, these properties turn the method into a viable tool for practical applications such as structural health monitoring [1-3], quantitative ultrasound applications [4], or the active control of vibrations and noise [5, 6].

The spectral element method on variable resolution grids: evaluating grid sensitivity and resolution-aware numerical viscosity

DOE PAGES

Guba, O.; Taylor, M. A.; Ullrich, P. A.; ...

2014-06-25

We evaluate the performance of the Community Atmosphere Model's (CAM) spectral element method on variable resolution grids using the shallow water equations in spherical geometry. We configure the method as it is used in CAM, with dissipation of grid scale variance implemented using hyperviscosity. Hyperviscosity is highly scale selective and grid independent, but does require a resolution dependent coefficient. For the spectral element method with variable resolution grids and highly distorted elements, we obtain the best results if we introduce a tensor-based hyperviscosity with tensor coefficients tied to the eigenvalues of the local element metric tensor. The tensor hyperviscosity ismore » constructed so that for regions of uniform resolution it matches the traditional constant coefficient hyperviscsosity. With the tensor hyperviscosity the large scale solution is almost completely unaffected by the presence of grid refinement. This later point is important for climate applications where long term climatological averages can be imprinted by stationary inhomogeneities in the truncation error. We also evaluate the robustness of the approach with respect to grid quality by considering unstructured conforming quadrilateral grids generated with a well-known grid-generating toolkit and grids generated by SQuadGen, a new open source alternative which produces lower valence nodes.« less

Growth of L-Valinium Aluminium Chloride single crystal for OLED and super-capacitor applications

NASA Astrophysics Data System (ADS)

Kalaivani, D.; Vijayalakshmi, S.; Theras, J. Elberin Mary; Jayaraman, D.; Joseph, V.

2015-12-01

L-Valinium Aluminium Chloride (LVAC), a novel semi-organic material, was grown using slow evaporation under isothermal condition. The single crystal data reveal that the grown crystal belongs to monoclinic system. The SEM micrographs give clear picture about the surface morphology. Further, they confirm the inclusion of aluminium chloride into atomic sites of L-Valine. The compositional elements present in the crystal were identified through EDAX analysis. The mass spectral analysis was carried out to determine the molecular weight of the grown crystal. The optical transparency of the grown crystal was investigated by UV-vis-NIR spectrum. FTIR spectral study was used to identify the functional groups present in the grown material. The luminescence characteristics of grown material were analysed to confirm the effect of metal ion on the ligand. This property makes the material suitable for OLED application. The supercapacitive performance of the grown crystal was finally studied using cyclic voltammetry.

Numerical modeling of time-lapse monitoring of CO2 sequestration in a layered basalt reservoir

USGS Publications Warehouse

Khatiwada, M.; Van Wijk, K.; Clement, W.P.; Haney, M.

2008-01-01

As part of preparations in plans by The Big Sky Carbon Sequestration Partnership (BSCSP) to inject CO2 in layered basalt, we numerically investigate seismic methods as a noninvasive monitoring technique. Basalt seems to have geochemical advantages as a reservoir for CO2 storage (CO2 mineralizes quite rapidly while exposed to basalt), but poses a considerable challenge in term of seismic monitoring: strong scattering from the layering of the basalt complicates surface seismic imaging. We perform numerical tests using the Spectral Element Method (SEM) to identify possibilities and limitations of seismic monitoring of CO2 sequestration in a basalt reservoir. While surface seismic is unlikely to detect small physical changes in the reservoir due to the injection of CO2, the results from Vertical Seismic Profiling (VSP) simulations are encouraging. As a perturbation, we make a 5%; change in wave velocity, which produces significant changes in VSP images of pre-injection and post-injection conditions. Finally, we perform an analysis using Coda Wave Interferometry (CWI), to quantify these changes in the reservoir properties due to CO2 injection.

Synthesis & characterization of Bi7.38Ce0.62O12.3 and its optical and electrocatalytic property

NASA Astrophysics Data System (ADS)

Padmanaban, A.; Dhanasekaran, T.; Kumar, S. Praveen; Gnanamoorthy, G.; Stephen, A.; Narayanan, V.

2017-05-01

Bismuth cerium oxide was synthesized by thermal decomposition method. The material was characterized by X-ray diffraction technique, DRS UV-Vis, Raman spectral methods and FE-SEM. The electrocatalytic sensing activity of bismuth cerium oxide modified GCE toward 4-nitrophenol exhibits better activity than the bare GCE. The modified electrode shows higher anodic current response with lower potential.

Scanning Electron Microscopy (SEM) Procedure for HE Powders on a Zeiss Sigma HD VP SEM

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zaka, F.

This method describes the characterization of inert and HE materials by the Zeiss Sigma HD VP field emission Scanning Electron Microscope (SEM). The SEM uses an accelerated electron beam to generate high-magnification images of explosives and other materials. It is fitted with five detectors (SE, Inlens, STEM, VPSE, HDBSD) to enable imaging of the sample via different secondary electron signatures, angles, and energies. In addition to imaging through electron detection, the microscope is also fitted with two Oxford Instrument Energy Dispersive Spectrometer (EDS) 80 mm detectors to generate elemental constituent spectra and two-dimensional maps of the material being scanned.

A high-order 3-D spectral-element method for the forward modelling and inversion of gravimetric data—Application to the western Pyrenees

NASA Astrophysics Data System (ADS)

Martin, Roland; Chevrot, Sébastien; Komatitsch, Dimitri; Seoane, Lucia; Spangenberg, Hannah; Wang, Yi; Dufréchou, Grégory; Bonvalot, Sylvain; Bruinsma, Sean

2017-04-01

We image the internal density structure of the Pyrenees by inverting gravity data using an a priori density model derived by scaling a Vp model obtained by full waveform inversion of teleseismic P-waves. Gravity anomalies are computed via a 3-D high-order finite-element integration in the same high-order spectral-element grid as the one used to solve the wave equation and thus to obtain the velocity model. The curvature of the Earth and surface topography are taken into account in order to obtain a density model as accurate as possible. The method is validated through comparisons with exact semi-analytical solutions. We show that the spectral-element method drastically accelerates the computations when compared to other more classical methods. Different scaling relations between compressional velocity and density are tested, and the Nafe-Drake relation is the one that leads to the best agreement between computed and observed gravity anomalies. Gravity data inversion is then performed and the results allow us to put more constraints on the density structure of the shallow crust and on the deep architecture of the mountain range.

Broadband ground motion simulation using a paralleled hybrid approach of Frequency Wavenumber and Finite Difference method

NASA Astrophysics Data System (ADS)

Chen, M.; Wei, S.

2016-12-01

The serious damage of Mexico City caused by the 1985 Michoacan earthquake 400 km away indicates that urban areas may be affected by remote earthquakes. To asses earthquake risk of urban areas imposed by distant earthquakes, we developed a hybrid Frequency Wavenumber (FK) and Finite Difference (FD) code implemented with MPI, since the computation of seismic wave propagation from a distant earthquake using a single numerical method (e.g. Finite Difference, Finite Element or Spectral Element) is very expensive. In our approach, we compute the incident wave field (ud) at the boundaries of the excitation box, which surrounding the local structure, using a paralleled FK method (Zhu and Rivera, 2002), and compute the total wave field (u) within the excitation box using a parallelled 2D FD method. We apply perfectly matched layer (PML) absorbing condition to the diffracted wave field (u-ud). Compared to previous Generalized Ray Theory and Finite Difference (Wen and Helmberger, 1998), Frequency Wavenumber and Spectral Element (Tong et al., 2014), and Direct Solution Method and Spectral Element hybrid method (Monteiller et al., 2013), our absorbing boundary condition dramatically suppress the numerical noise. The MPI implementation of our method can greatly speed up the calculation. Besides, our hybrid method also has a potential use in high resolution array imaging similar to Tong et al. (2014).

Model-free simulations of turbulent reactive flows

NASA Technical Reports Server (NTRS)

Givi, Peyman

1989-01-01

The current computational methods for solving transport equations of turbulent reacting single-phase flows are critically reviewed, with primary attention given to those methods that lead to model-free simulations. In particular, consideration is given to direct numerical simulations using spectral (Galerkin) and pseudospectral (collocation) methods, spectral element methods, and Lagrangian methods. The discussion also covers large eddy simulations and turbulence modeling.

Synthesis, spectral and thermal studies of some transition metal mixed ligand complexes: Modeling of equilibrium composition and biological activity

NASA Astrophysics Data System (ADS)

Neelakantan, M. A.; Sundaram, M.; Nair, M. Sivasankaran

2011-09-01

Several mixed ligand Ni(II), Cu(II) and Zn(II) complexes of 2-amino-3-hydroxypyridine (AHP) and imidazoles viz., imidazole (him), benzimidazole (bim), histamine (hist) and L-histidine (his) have been synthesized and characterized by elemental and spectral (vibrational, electronic, 1H NMR and EPR) data as well as by magnetic moment values. On the basis of elemental analysis and molar conductance values, all the complexes can be formulated as [MAB]Cl except histidine complexes as MAB. Thermogravimetric studies reveal the presence of coordinated water molecules in most of the complexes. From the magnetic measurements and electronic spectral data, octahedral structure was proposed for Ni(II) and Cu(II)-AHP-his, tetrahedral for Cu(II)-AHP-him/bim/hist, but square planar for the Cu(II)-AHP complex. The g∥/ A∥ calculated supports tetrahedral environment around the Cu(II) in Cu(II)-AHP-him/bim/hist and distorted octahedral for Cu(II)-AHP-his complexes. The morphology of the reported metal complexes was investigated by scanning electron micrographs (SEM). The potentiometric study has been performed in aqueous solution at 37 °C and I = 0.15 mol dm -3 NaClO 4. MABH, MAB and MAB 2 species has been identified in the present systems. Proton dissociation constants of AHP and stability constants of metal complexes were determined using MINIQUAD-75. The most probable structure of the mixed ligand species is discussed based upon their stability constants. The in vitro biological activity of the complexes was tested against the Gram positive and Gram negative bacteria, fungus and yeast. The oxidative DNA cleavage studies of the complexes were performed using gel electrophoresis method. Cu(II) complexes have been found to promote DNA cleavage in presence of biological reductant such as ascorbate and oxidant like hydrogen peroxide.

Application of SEM and EDX in studying biomineralization in plant tissues.

PubMed

He, Honghua; Kirilak, Yaowanuj

2014-01-01

This chapter describes protocols using formalin-acetic acid-alcohol (FAA) to fix plant tissues for studying biomineralization by means of scanning electron microscopy (SEM) and qualitative energy-dispersive X-ray microanalysis (EDX). Specimen preparation protocols for SEM and EDX mainly include fixation, dehydration, critical point drying (CPD), mounting, and coating. Gold-coated specimens are used for SEM imaging, while gold- and carbon-coated specimens are prepared for qualitative X-ray microanalyses separately to obtain complementary information on the elemental compositions of biominerals. During the specimen preparation procedure for SEM, some biominerals may be dislodged or scattered, making it difficult to determine their accurate locations, and light microscopy is used to complement SEM studies. Specimen preparation protocols for light microscopy generally include fixation, dehydration, infiltration and embedding with resin, microtome sectioning, and staining. In addition, microwave processing methods are adopted here to speed up the specimen preparation process for both SEM and light microscopy.

Spectral Element Method for the Simulation of Unsteady Compressible Flows

NASA Technical Reports Server (NTRS)

Diosady, Laslo Tibor; Murman, Scott M.

2013-01-01

This work uses a discontinuous-Galerkin spectral-element method (DGSEM) to solve the compressible Navier-Stokes equations [1{3]. The inviscid ux is computed using the approximate Riemann solver of Roe [4]. The viscous fluxes are computed using the second form of Bassi and Rebay (BR2) [5] in a manner consistent with the spectral-element approximation. The method of lines with the classical 4th-order explicit Runge-Kutta scheme is used for time integration. Results for polynomial orders up to p = 15 (16th order) are presented. The code is parallelized using the Message Passing Interface (MPI). The computations presented in this work are performed using the Sandy Bridge nodes of the NASA Pleiades supercomputer at NASA Ames Research Center. Each Sandy Bridge node consists of 2 eight-core Intel Xeon E5-2670 processors with a clock speed of 2.6Ghz and 2GB per core memory. On a Sandy Bridge node the Tau Benchmark [6] runs in a time of 7.6s.

Aircraft Engine Noise Scattering - A Discontinuous Spectral Element Approach

NASA Technical Reports Server (NTRS)

Stanescu, D.; Hussaini, M. Y.; Farassat, F.

2002-01-01

The paper presents a time-domain method for computation of sound radiation from aircraft engine sources to the far-field. The effects of nonuniform flow around the aircraft and scattering of sound by fuselage and wings are accounted for in the formulation. Our approach is based on the discretization of the inviscid flow equations through a collocation form of the Discontinuous Galerkin spectral element method. An isoparametric representation of the underlying geometry is used in order to take full advantage of the spectral accuracy of the method. Largescale computations are made possible by a parallel implementation based on message passing. Results obtained for radiation from an axisymmetric nacelle alone are compared with those obtained when the same nacelle is installed in a generic con.guration, with and without a wing.

Comparative studies of mononuclear Ni(II) and UO2(II) complexes having bifunctional coordinated groups: Synthesis, thermal analysis, X-ray diffraction, surface morphology studies and biological evaluation

NASA Astrophysics Data System (ADS)

Fahem, Abeer A.

2012-03-01

Two Schiff base ligands derived from condensation of phthalaldehyde and o-phenylenediamine in 1:2 (L1) and 2:1 (L2) having bifunctional coordinated groups (NH2 and CHO groups, respectively) and their metal complexes with Ni(II) and UO2(II) have been synthesized and characterized by elemental analysis, molar conductance, magnetic susceptibilities and spectral data (IR, 1H NMR, mass and solid reflectance) as well as thermal, XRPD and SEM analysis. The formula [Ni(L1)Cl2]·2.5H2O, [UO2(L1)(NO3)2]·2H2O, [Ni(L2)Cl2]·1.5H2O and [UO2(L2)(NO3)2] have been suggested for the complexes. The vibrational spectral data show that the ligands behave as neutral ligands and coordinated to the metal ions in a tetradentate manner. The Ni(II) complexes are six coordinate with octahedral geometry and the ligand field parameters: Dq, B, β and LFSE were calculated while, UO2(II) complexes are eight coordinate with dodecahedral geometry and the force constant, FUsbnd O and bond length, RUsbnd O were calculated. The thermal decomposition of complexes ended with metal chloride/nitrate as a final product and the highest thermal stability is displayed by [UO2(L2)(NO3)2] complex. The X-ray powder diffraction data revealed the formation of nano sized crystalline complexes. The SEM analysis provides the morphology of the synthesized compounds and SEM image of [UO2(L2)(NO3)2] complex exhibits nano rod structure. The growth-inhibiting potential of the ligands and their complexes has been assessed against a variety of bacterial and fungal strains.

Nektar++: An open-source spectral/ hp element framework

NASA Astrophysics Data System (ADS)

Cantwell, C. D.; Moxey, D.; Comerford, A.; Bolis, A.; Rocco, G.; Mengaldo, G.; De Grazia, D.; Yakovlev, S.; Lombard, J.-E.; Ekelschot, D.; Jordi, B.; Xu, H.; Mohamied, Y.; Eskilsson, C.; Nelson, B.; Vos, P.; Biotto, C.; Kirby, R. M.; Sherwin, S. J.

2015-07-01

Nektar++ is an open-source software framework designed to support the development of high-performance scalable solvers for partial differential equations using the spectral/ hp element method. High-order methods are gaining prominence in several engineering and biomedical applications due to their improved accuracy over low-order techniques at reduced computational cost for a given number of degrees of freedom. However, their proliferation is often limited by their complexity, which makes these methods challenging to implement and use. Nektar++ is an initiative to overcome this limitation by encapsulating the mathematical complexities of the underlying method within an efficient C++ framework, making the techniques more accessible to the broader scientific and industrial communities. The software supports a variety of discretisation techniques and implementation strategies, supporting methods research as well as application-focused computation, and the multi-layered structure of the framework allows the user to embrace as much or as little of the complexity as they need. The libraries capture the mathematical constructs of spectral/ hp element methods, while the associated collection of pre-written PDE solvers provides out-of-the-box application-level functionality and a template for users who wish to develop solutions for addressing questions in their own scientific domains.

Allowable SEM noise for unbiased LER measurement

NASA Astrophysics Data System (ADS)

Papavieros, George; Constantoudis, Vassilios; Gogolides, Evangelos

2018-03-01

Recently, a novel method for the calculation of unbiased Line Edge Roughness based on Power Spectral Density analysis has been proposed. In this paper first an alternative method is discussed and investigated, utilizing the Height-Height Correlation Function (HHCF) of edges. The HHCF-based method enables the unbiased determination of the whole triplet of LER parameters including besides rms the correlation length and roughness exponent. The key of both methods is the sensitivity of PSD and HHCF on noise at high frequencies and short distance respectively. Secondly, we elaborate a testbed of synthesized SEM images with controlled LER and noise to justify the effectiveness of the proposed unbiased methods. Our main objective is to find out the boundaries of the method in respect to noise levels and roughness characteristics, for which the method remains reliable, i.e the maximum amount of noise allowed, for which the output results cope with the controllable known inputs. At the same time, we will also set the extremes of roughness parameters for which the methods hold their accuracy.

Method and device for predicting wavelength dependent radiation influences in thermal systems

DOEpatents

Kee, Robert J.; Ting, Aili

1996-01-01

A method and apparatus for predicting the spectral (wavelength-dependent) radiation transport in thermal systems including interaction by the radiation with partially transmitting medium. The predicted model of the thermal system is used to design and control the thermal system. The predictions are well suited to be implemented in design and control of rapid thermal processing (RTP) reactors. The method involves generating a spectral thermal radiation transport model of an RTP reactor. The method also involves specifying a desired wafer time dependent temperature profile. The method further involves calculating an inverse of the generated model using the desired wafer time dependent temperature to determine heating element parameters required to produce the desired profile. The method also involves controlling the heating elements of the RTP reactor in accordance with the heating element parameters to heat the wafer in accordance with the desired profile.

Analysis of wave motion in one-dimensional structures through fast-Fourier-transform-based wavelet finite element method

NASA Astrophysics Data System (ADS)

Shen, Wei; Li, Dongsheng; Zhang, Shuaifang; Ou, Jinping

2017-07-01

This paper presents a hybrid method that combines the B-spline wavelet on the interval (BSWI) finite element method and spectral analysis based on fast Fourier transform (FFT) to study wave propagation in One-Dimensional (1D) structures. BSWI scaling functions are utilized to approximate the theoretical wave solution in the spatial domain and construct a high-accuracy dynamic stiffness matrix. Dynamic reduction on element level is applied to eliminate the interior degrees of freedom of BSWI elements and substantially reduce the size of the system matrix. The dynamic equations of the system are then transformed and solved in the frequency domain through FFT-based spectral analysis which is especially suitable for parallel computation. A comparative analysis of four different finite element methods is conducted to demonstrate the validity and efficiency of the proposed method when utilized in high-frequency wave problems. Other numerical examples are utilized to simulate the influence of crack and delamination on wave propagation in 1D rods and beams. Finally, the errors caused by FFT and their corresponding solutions are presented.

A Change in the Solar He II EUV Global Network Structure as an Indicator of the Geo-Effectiveness of Solar Minima

NASA Technical Reports Server (NTRS)

Didkovsky, L.; Gurman, J. B.

2013-01-01

Solar activity during 2007 - 2009 was very low, causing anomalously low thermospheric density. A comparison of solar extreme ultraviolet (EUV) irradiance in the He II spectral band (26 to 34 nm) from the Solar Extreme ultraviolet Monitor (SEM), one of instruments on the Charge Element and Isotope Analysis System (CELIAS) on board the Solar and Heliospheric Observatory (SOHO) for the two latest solar minima showed a decrease of the absolute irradiance of about 15 +/- 6 % during the solar minimum between Cycles 23 and 24 compared with the Cycle 22/23 minimum when a yearly running-mean filter was used. We found that some local, shorter-term minima including those with the same absolute EUV flux in the SEM spectral band show a higher concentration of spatial power in the global network structure from the 30.4 nm SOHO/Extreme ultraviolet Imaging Telescope (EIT) images for the local minimum of 1996 compared with the minima of 2008 - 2011.We interpret this higher concentration of spatial power in the transition region's global network structure as a larger number of larger-area features on the solar disk. These changes in the global network structure during solar minima may characterize, in part, the geo-effectiveness of the solar He II EUV irradiance in addition to the estimations based on its absolute levels.

Finite-frequency tomography using adjoint methods-Methodology and examples using membrane surface waves

NASA Astrophysics Data System (ADS)

Tape, Carl; Liu, Qinya; Tromp, Jeroen

2007-03-01

We employ adjoint methods in a series of synthetic seismic tomography experiments to recover surface wave phase-speed models of southern California. Our approach involves computing the Fréchet derivative for tomographic inversions via the interaction between a forward wavefield, propagating from the source to the receivers, and an `adjoint' wavefield, propagating from the receivers back to the source. The forward wavefield is computed using a 2-D spectral-element method (SEM) and a phase-speed model for southern California. A `target' phase-speed model is used to generate the `data' at the receivers. We specify an objective or misfit function that defines a measure of misfit between data and synthetics. For a given receiver, the remaining differences between data and synthetics are time-reversed and used as the source of the adjoint wavefield. For each earthquake, the interaction between the regular and adjoint wavefields is used to construct finite-frequency sensitivity kernels, which we call event kernels. An event kernel may be thought of as a weighted sum of phase-specific (e.g. P) banana-doughnut kernels, with weights determined by the measurements. The overall sensitivity is simply the sum of event kernels, which defines the misfit kernel. The misfit kernel is multiplied by convenient orthonormal basis functions that are embedded in the SEM code, resulting in the gradient of the misfit function, that is, the Fréchet derivative. A non-linear conjugate gradient algorithm is used to iteratively improve the model while reducing the misfit function. We illustrate the construction of the gradient and the minimization algorithm, and consider various tomographic experiments, including source inversions, structural inversions and joint source-structure inversions. Finally, we draw connections between classical Hessian-based tomography and gradient-based adjoint tomography.

Toward real-time regional earthquake simulation II: Real-time Online earthquake Simulation (ROS) of Taiwan earthquakes

NASA Astrophysics Data System (ADS)

Lee, Shiann-Jong; Liu, Qinya; Tromp, Jeroen; Komatitsch, Dimitri; Liang, Wen-Tzong; Huang, Bor-Shouh

2014-06-01

We developed a Real-time Online earthquake Simulation system (ROS) to simulate regional earthquakes in Taiwan. The ROS uses a centroid moment tensor solution of seismic events from a Real-time Moment Tensor monitoring system (RMT), which provides all the point source parameters including the event origin time, hypocentral location, moment magnitude and focal mechanism within 2 min after the occurrence of an earthquake. Then, all of the source parameters are automatically forwarded to the ROS to perform an earthquake simulation, which is based on a spectral-element method (SEM). A new island-wide, high resolution SEM mesh model is developed for the whole Taiwan in this study. We have improved SEM mesh quality by introducing a thin high-resolution mesh layer near the surface to accommodate steep and rapidly varying topography. The mesh for the shallow sedimentary basin is adjusted to reflect its complex geometry and sharp lateral velocity contrasts. The grid resolution at the surface is about 545 m, which is sufficient to resolve topography and tomography data for simulations accurate up to 1.0 Hz. The ROS is also an infrastructural service, making online earthquake simulation feasible. Users can conduct their own earthquake simulation by providing a set of source parameters through the ROS webpage. For visualization, a ShakeMovie and ShakeMap are produced during the simulation. The time needed for one event is roughly 3 min for a 70 s ground motion simulation. The ROS is operated online at the Institute of Earth Sciences, Academia Sinica (http://ros.earth.sinica.edu.tw/). Our long-term goal for the ROS system is to contribute to public earth science outreach and to realize seismic ground motion prediction in real-time.

The seismic signatures of the solar system

NASA Astrophysics Data System (ADS)

Stähler, Simon C.; Kedar, Sharon; van Driel, Martin; Vance, Steven D.; Panning, Mark P.

2017-04-01

Seismology is a powerful tool to image the interior of planetary bodies. At the same time, its results are often difficult to visualize. The spectral-element solver AxiSEM (Nissen-Meyer et al. 2014) enables calculations of the broadband seismic response of terrestrial bodies with solid crusts and mantles, as well as icy moons with solid ice crusts overlying liquid oceans. In its database mode, Instaseis (van Driel et al. 2015), AxiSEM can efficiently calculate the seismic response for earthquakes at arbitrary distances and depths. We use this method to present a set of global stacks of seismograms, similar to the iconic global stack that Astiz and Shearer (1996) created for IRIS from thousands of seismograms on Earth. We present these stacks for models of Europa, Enceladus, Ganymede, Mercury, Venus, Moon and - for comparison - Earth. The results are based on thermodynamical modeling for the icy moons and orbital observations for the terrestrial planets. The results visualize how each planet and moon has its own unique seismic wavefield and which observables exist to infer its detailed structure by future lander missions. Astiz, L., P. Earle and P. Shearer, Global stacking of broadband seismograms, Seis. Res. Lett., 67, 8-18, 1996. M. van Driel, L. Krischer, S.C. Stähler, K. Hosseini, and T. Nissen-Meyer (2015), "Instaseis: instant global seismograms based on a broadband waveform database," Solid Earth, 6, 701-717, doi:10.5194/se-6-701-2015. Nissen-Meyer, T., van Driel, M., Stähler, S. C., Hosseini, K., Hempel, S., Auer, L., … Fournier, A. (2014). AxiSEM: broadband 3-D seismic wavefields in axisymmetric media. Solid Earth, 5(1), 425-445. https://doi.org/10.5194/se-5-425-2014

Method for Balancing Detector Output to a Desired Level of Balance at a Frequency

NASA Technical Reports Server (NTRS)

Sachse, Glenn W. (Inventor)

2003-01-01

A multi-gas sensor is provided which modulates a polarized light beam over a broadband of wavelengths between two alternating orthogonal polarization components. The two orthogonal polarization components of the polarization modulated beam are directed along two distinct optical paths. At least one optical path contains one or more spectral discrimination elements, with each spectral discrimination element having spectral absorption features of one or more gases of interest being measured. The two optical paths then intersect, and one orthogonal component of the intersected components is transmitted and the other orthogonal component is reflected. The combined polarization modulated beam is partitioned into one or more smaller spectral regions of interest where one or more gases of interest has an absorption band. The difference in intensity between the two orthogonal polarization components is then determined in each partitioned spectral region of interest as an indication of the spectral emission/absorption of the light beam by the gases of interest in the measurement path. The spectral emission/absorption is indicative of the concentration of the one or more gases of interest in the measurement path. More specifically, one embodiment of the present invention is a gas filter correlation radiometer which comprises a polarizer, a polarization modulator, a polarization beam splitter, a beam combiner, wavelength partitioning element, and detection element. The gases of interest are measured simultaneously and, further, can be measured independently or non-independently. Furthermore, optical or electronic element are provided to balance optical intensities between the two optical paths.

Three-dimensional full waveform inversion of short-period teleseismic wavefields based upon the SEM-DSM hybrid method

NASA Astrophysics Data System (ADS)

Monteiller, Vadim; Chevrot, Sébastien; Komatitsch, Dimitri; Wang, Yi

2015-08-01

We present a method for high-resolution imaging of lithospheric structures based on full waveform inversion of teleseismic waveforms. We model the propagation of seismic waves using our recently developed direct solution method/spectral-element method hybrid technique, which allows us to simulate the propagation of short-period teleseismic waves through a regional 3-D model. We implement an iterative quasi-Newton method based upon the L-BFGS algorithm, where the gradient of the misfit function is computed using the adjoint-state method. Compared to gradient or conjugate-gradient methods, the L-BFGS algorithm has a much faster convergence rate. We illustrate the potential of this method on a synthetic test case that consists of a crustal model with a crustal discontinuity at 25 km depth and a sharp Moho jump. This model contains short- and long-wavelength heterogeneities along the lateral and vertical directions. The iterative inversion starts from a smooth 1-D model derived from the IASP91 reference Earth model. We invert both radial and vertical component waveforms, starting from long-period signals filtered at 10 s and gradually decreasing the cut-off period down to 1.25 s. This multiscale algorithm quickly converges towards a model that is very close to the true model, in contrast to inversions involving short-period waveforms only, which always get trapped into a local minimum of the cost function.

Novel mixed ligand complexes of bioactive Schiff base (E)-4-(phenyl (phenylimino) methyl) benzene-1,3-diol and 2-aminophenol/2-aminobenzoic acid: Synthesis, spectral characterization, antimicrobial and nuclease studies

NASA Astrophysics Data System (ADS)

Subbaraj, P.; Ramu, A.; Raman, N.; Dharmaraja, J.

2014-01-01

A novel bidentate Schiff base ligand has been synthesized using 2,4-dihydroxybenzophenone and aniline. Its mixed ligand complexes of MAB type [M = Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); HA = Schiff base and B = 2-aminophenol/2-aminobenzoic acid] have been synthesized and characterized on the basis of spectral data UV-Vis, IR, 1H NMR, FAB-Mass, EPR, SEM and magnetic studies. All the complexes were soluble in DMF and DMSO. Elemental analysis and molar conductance values indicate that the complexes are non-electrolytes. HA binds with M(II) ions through azomethine and deprotonated phenolic group and B binds through the primary amine group and deprotonated phenolic/carboxylic groups. Using FAB-Mass the cleavage pattern of the ligand (HA) has been established. All the complexes adopt octahedral geometry around the metal ions. It has been confirmed with the help of UV-Vis, IR, 1H NMR and FAB-Mass spectral data. DNA binding activities of the complexes 1d and 2d are studied by UV-Vis spectroscopy and cleavage studies of Schiff base ligand and its complexes 1d and 2d have been by agarose gel electrophoresis method. In vitro biological activities of the free ligand (HA) and their metal complexes (1a-1e and 2a-2e) were screened against few bacteria, Escherichia coli, Staphylococcus saphyphiticus, Staphylococcus aureus, Pseudomonas aeruginosa and fungi Aspergillus niger, Enterobacter species, Candida albicans by well diffusion technique.

3D anisotropic modeling and identification for airborne EM systems based on the spectral-element method

NASA Astrophysics Data System (ADS)

Huang, Xin; Yin, Chang-Chun; Cao, Xiao-Yue; Liu, Yun-He; Zhang, Bo; Cai, Jing

2017-09-01

The airborne electromagnetic (AEM) method has a high sampling rate and survey flexibility. However, traditional numerical modeling approaches must use high-resolution physical grids to guarantee modeling accuracy, especially for complex geological structures such as anisotropic earth. This can lead to huge computational costs. To solve this problem, we propose a spectral-element (SE) method for 3D AEM anisotropic modeling, which combines the advantages of spectral and finite-element methods. Thus, the SE method has accuracy as high as that of the spectral method and the ability to model complex geology inherited from the finite-element method. The SE method can improve the modeling accuracy within discrete grids and reduce the dependence of modeling results on the grids. This helps achieve high-accuracy anisotropic AEM modeling. We first introduced a rotating tensor of anisotropic conductivity to Maxwell's equations and described the electrical field via SE basis functions based on GLL interpolation polynomials. We used the Galerkin weighted residual method to establish the linear equation system for the SE method, and we took a vertical magnetic dipole as the transmission source for our AEM modeling. We then applied fourth-order SE calculations with coarse physical grids to check the accuracy of our modeling results against a 1D semi-analytical solution for an anisotropic half-space model and verified the high accuracy of the SE. Moreover, we conducted AEM modeling for different anisotropic 3D abnormal bodies using two physical grid scales and three orders of SE to obtain the convergence conditions for different anisotropic abnormal bodies. Finally, we studied the identification of anisotropy for single anisotropic abnormal bodies, anisotropic surrounding rock, and single anisotropic abnormal body embedded in an anisotropic surrounding rock. This approach will play a key role in the inversion and interpretation of AEM data collected in regions with anisotropic geology.

Application of ICP-OES to the determination of CuIn(1-x)Ga(x)Se2 thin films used as absorber materials in solar cell devices.

PubMed

Fernández-Martínez, Rodolfo; Caballero, Raquel; Guillén, Cecilia; Gutiérrez, María Teresa; Rucandio, María Isabel

2005-05-01

CuIn(1-x)Ga(x)Se2 [CIGS; x=Ga/(In+Ga)] thin films are among of the best candidates as absorber materials for solar cell applications. The material quality and main properties of the polycrystalline absorber layer are critically influenced by deviations in the stoichiometry, particularly in the Cu/(In+Ga) atomic ratio. In this work a simple, sensitive and accurate method has been developed for the quantitative determination of these thin films by inductively coupled plasma optical emission spectrometry (ICP-OES). The proposed method involves an acid digestion of the samples to achieve the complete solubilization of CIGS, followed by the analytical determination by ICP-OES. A digestion procedure with 50% HNO3 alone or in the presence of 10% HCl was performed to dissolve those thin films deposited on glass or Mo-coated glass substrates, respectively. Two analytical lines were selected for each element (Cu 324.754 and 327.396 nm, Ga 294.364 and 417.206 nm, In 303.936 and 325.609 nm, Se 196.090 and 203.985 nm, and Mo 202.030 and 379.825 nm) and a study of spectral interferences was performed which showed them to be suitable, since they offered a high sensitivity and no significant inter-element interferences were detected. Detection limits for all elements at the selected lines were found to be appropriate for this kind of application, and the relative standard deviations were lower than 1.5% for all elements with the exception of Se (about 5%). The Cu/(In+Ga) atomic ratios obtained from the application of this method to CIGS thin films were consistent with the study of the structural and morphological properties by X-ray diffraction (XRD) and scanning electron microscopy (SEM).

Multiple-element semiquantitative analysis of one-milligram geochemical samples by D.C. arc emission spectrography

USGS Publications Warehouse

Rait, N.

1981-01-01

A modified method is described for a 1-mg sample multi-element semiquantitative spectrographic analysis. This method uses a direct-current arc source, carbon instead of graphite electrodes, and an 80% argon-20% oxygen atmosphere instead of air. Although this is a destructive method, an analysis can be made for 68 elements in all mineral and geochemical samples. Carbon electrodes have been an aid in improving the detection limits of many elements. The carbon has a greater resistance to heat conductance and develops a better tip, facilitating sample volatilization and counter balancing the cooling effect of a flow of the argon-oxygen mixture around the anode. Where such an argon-oxygen atmosphere is used instead of air, the cyanogen band lines are greatly diminished in intensity, and thus more spectral lines of analysis elements are available for use; the spectral background is also lower. The main advantage of using the carbon electrode and the 80% argon-20% oxygen atmosphere is the improved detection limits of 36 out of 68 elements. The detection limits remain the same for 23 elements, and are not as good for only nine elements. ?? 1981.

[The research on separating and extracting overlapping spectral feature lines in LIBS using damped least squares method].

PubMed

Wang, Yin; Zhao, Nan-jing; Liu, Wen-qing; Yu, Yang; Fang, Li; Meng, De-shuo; Hu, Li; Zhang, Da-hai; Ma, Min-jun; Xiao, Xue; Wang, Yu; Liu, Jian-guo

2015-02-01

In recent years, the technology of laser induced breakdown spectroscopy has been developed rapidly. As one kind of new material composition detection technology, laser induced breakdown spectroscopy can simultaneously detect multi elements fast and simply without any complex sample preparation and realize field, in-situ material composition detection of the sample to be tested. This kind of technology is very promising in many fields. It is very important to separate, fit and extract spectral feature lines in laser induced breakdown spectroscopy, which is the cornerstone of spectral feature recognition and subsequent elements concentrations inversion research. In order to realize effective separation, fitting and extraction of spectral feature lines in laser induced breakdown spectroscopy, the original parameters for spectral lines fitting before iteration were analyzed and determined. The spectral feature line of' chromium (Cr I : 427.480 nm) in fly ash gathered from a coal-fired power station, which was overlapped with another line(FeI: 427.176 nm), was separated from the other one and extracted by using damped least squares method. Based on Gauss-Newton iteration, damped least squares method adds damping factor to step and adjust step length dynamically according to the feedback information after each iteration, in order to prevent the iteration from diverging and make sure that the iteration could converge fast. Damped least squares method helps to obtain better results of separating, fitting and extracting spectral feature lines and give more accurate intensity values of these spectral feature lines: The spectral feature lines of chromium in samples which contain different concentrations of chromium were separated and extracted. And then, the intensity values of corresponding spectral lines were given by using damped least squares method and least squares method separately. The calibration curves were plotted, which showed the relationship between spectral line intensity values and chromium concentrations in different samples. And then their respective linear correlations were compared. The experimental results showed that the linear correlation of the intensity values of spectral feature lines and the concentrations of chromium in different samples, which was obtained by damped least squares method, was better than that one obtained by least squares method. And therefore, damped least squares method was stable, reliable and suitable for separating, fitting and extracting spectral feature lines in laser induced breakdown spectroscopy.

A high-order Lagrangian-decoupling method for the incompressible Navier-Stokes equations

NASA Technical Reports Server (NTRS)

Ho, Lee-Wing; Maday, Yvon; Patera, Anthony T.; Ronquist, Einar M.

1989-01-01

A high-order Lagrangian-decoupling method is presented for the unsteady convection-diffusion and incompressible Navier-Stokes equations. The method is based upon: (1) Lagrangian variational forms that reduce the convection-diffusion equation to a symmetric initial value problem; (2) implicit high-order backward-differentiation finite-difference schemes for integration along characteristics; (3) finite element or spectral element spatial discretizations; and (4) mesh-invariance procedures and high-order explicit time-stepping schemes for deducing function values at convected space-time points. The method improves upon previous finite element characteristic methods through the systematic and efficient extension to high order accuracy, and the introduction of a simple structure-preserving characteristic-foot calculation procedure which is readily implemented on modern architectures. The new method is significantly more efficient than explicit-convection schemes for the Navier-Stokes equations due to the decoupling of the convection and Stokes operators and the attendant increase in temporal stability. Numerous numerical examples are given for the convection-diffusion and Navier-Stokes equations for the particular case of a spectral element spatial discretization.

Mapping chemical elements on the surface of orthodontic appliance by SEM-EDX

PubMed Central

Mikulewicz, Marcin; Wołowiec, Paulina; Michalak, Izabela; Chojnacka, Katarzyna; Czopor, Wojciech; Berniczei-Royko, Adam; Vegh, Andras; Gedrange, Thomas

2014-01-01

Background During orthodontic treatment, the various elements that constitute the fixed appliance undergo different processes. As a result of a change of the surface, elution/coverage of metals on the surface can be observed in the process of corrosion/passivation. Material/Methods Scanning electron microscopy with an energy-dispersive X-ray analytical system (SEM-EDX) was used to analyze the composition of stainless steel elements of orthodontic fixed appliances (before and after orthodontic treatment), to obtain the composition of the surface of the elements. The analyzed elements were: brackets (Victory Series APC PLUS 022, 3M Unitek, Monrovia, CA, USA); wires (0.017×0.025, 3M Unitek, Monrovia, CA, USA); and bands (37+, 3M Unitek, Monrovia, CA, USA). Results The results showed a decrease of chromium and iron contribution to the surface, with increase of oxygen content in used vs. new elements of the appliance. Conclusions Our results confirm the formation of oxides (passivation layer) on the surface of stainless steel as a result of the presence of the orthodontic appliance in patients’ oral cavities. PMID:24857929

An efficient implementation of a high-order filter for a cubed-sphere spectral element model

NASA Astrophysics Data System (ADS)

Kang, Hyun-Gyu; Cheong, Hyeong-Bin

2017-03-01

A parallel-scalable, isotropic, scale-selective spatial filter was developed for the cubed-sphere spectral element model on the sphere. The filter equation is a high-order elliptic (Helmholtz) equation based on the spherical Laplacian operator, which is transformed into cubed-sphere local coordinates. The Laplacian operator is discretized on the computational domain, i.e., on each cell, by the spectral element method with Gauss-Lobatto Lagrange interpolating polynomials (GLLIPs) as the orthogonal basis functions. On the global domain, the discrete filter equation yielded a linear system represented by a highly sparse matrix. The density of this matrix increases quadratically (linearly) with the order of GLLIP (order of the filter), and the linear system is solved in only O (Ng) operations, where Ng is the total number of grid points. The solution, obtained by a row reduction method, demonstrated the typical accuracy and convergence rate of the cubed-sphere spectral element method. To achieve computational efficiency on parallel computers, the linear system was treated by an inverse matrix method (a sparse matrix-vector multiplication). The density of the inverse matrix was lowered to only a few times of the original sparse matrix without degrading the accuracy of the solution. For better computational efficiency, a local-domain high-order filter was introduced: The filter equation is applied to multiple cells, and then the central cell was only used to reconstruct the filtered field. The parallel efficiency of applying the inverse matrix method to the global- and local-domain filter was evaluated by the scalability on a distributed-memory parallel computer. The scale-selective performance of the filter was demonstrated on Earth topography. The usefulness of the filter as a hyper-viscosity for the vorticity equation was also demonstrated.

Discrete conservation properties for shallow water flows using mixed mimetic spectral elements

NASA Astrophysics Data System (ADS)

Lee, D.; Palha, A.; Gerritsma, M.

2018-03-01

A mixed mimetic spectral element method is applied to solve the rotating shallow water equations. The mixed method uses the recently developed spectral element histopolation functions, which exactly satisfy the fundamental theorem of calculus with respect to the standard Lagrange basis functions in one dimension. These are used to construct tensor product solution spaces which satisfy the generalized Stokes theorem, as well as the annihilation of the gradient operator by the curl and the curl by the divergence. This allows for the exact conservation of first order moments (mass, vorticity), as well as higher moments (energy, potential enstrophy), subject to the truncation error of the time stepping scheme. The continuity equation is solved in the strong form, such that mass conservation holds point wise, while the momentum equation is solved in the weak form such that vorticity is globally conserved. While mass, vorticity and energy conservation hold for any quadrature rule, potential enstrophy conservation is dependent on exact spatial integration. The method possesses a weak form statement of geostrophic balance due to the compatible nature of the solution spaces and arbitrarily high order spatial error convergence.

Resolving Differences in Absolute Irradiance Measurements Between the SOHO/CELIAS/SEM and the SDO/EVE.

PubMed

Wieman, S R; Didkovsky, L V; Judge, D L

The Solar EUV Monitor (SEM) onboard SOHO has measured absolute extreme ultraviolet (EUV) and soft X-ray solar irradiance nearly continuously since January 1996. The EUV Variability Experiment (EVE) on SDO, in operation since April of 2010, measures solar irradiance in a wide spectral range that encompasses the band passes (26 - 34 nm and 0.1 - 50 nm) measured by SOHO/SEM. However, throughout the mission overlap, irradiance values from these two instruments have differed by more than the combined stated uncertainties of the measurements. In an effort to identify the sources of these differences and eliminate them, we investigate in this work the effect of reprocessing the SEM data using a more accurate SEM response function (obtained from synchrotron measurements with a SEM sounding-rocket clone instrument taken after SOHO was already in orbit) and time-dependent, measured solar spectral distributions - i.e ., solar reference spectra that were unavailable prior to the launch of the SDO. We find that recalculating the SEM data with these improved parameters reduces mean differences with the EVE measurements from about 20 % to less than 5 % in the 26 - 34 nm band, and from about 35 % to about 15 % for irradiances in the 0.1 - 7 nm band extracted from the SEM 0.1 - 50 nm channel.

A DFFD simulation method combined with the spectral element method for solid-fluid-interaction problems

NASA Astrophysics Data System (ADS)

Chen, Li-Chieh; Huang, Mei-Jiau

2017-02-01

A 2D simulation method for a rigid body moving in an incompressible viscous fluid is proposed. It combines one of the immersed-boundary methods, the DFFD (direct forcing fictitious domain) method with the spectral element method; the former is employed for efficiently capturing the two-way FSI (fluid-structure interaction) and the geometric flexibility of the latter is utilized for any possibly co-existing stationary and complicated solid or flow boundary. A pseudo body force is imposed within the solid domain to enforce the rigid body motion and a Lagrangian mesh composed of triangular elements is employed for tracing the rigid body. In particular, a so called sub-cell scheme is proposed to smooth the discontinuity at the fluid-solid interface and to execute integrations involving Eulerian variables over the moving-solid domain. The accuracy of the proposed method is verified through an observed agreement of the simulation results of some typical flows with analytical solutions or existing literatures.

Asynchronous communication in spectral-element and discontinuous Galerkin methods for atmospheric dynamics - a case study using the High-Order Methods Modeling Environment (HOMME-homme_dg_branch)

NASA Astrophysics Data System (ADS)

Jamroz, Benjamin F.; Klöfkorn, Robert

2016-08-01

The scalability of computational applications on current and next-generation supercomputers is increasingly limited by the cost of inter-process communication. We implement non-blocking asynchronous communication in the High-Order Methods Modeling Environment for the time integration of the hydrostatic fluid equations using both the spectral-element and discontinuous Galerkin methods. This allows the overlap of computation with communication, effectively hiding some of the costs of communication. A novel detail about our approach is that it provides some data movement to be performed during the asynchronous communication even in the absence of other computations. This method produces significant performance and scalability gains in large-scale simulations.

Green engineering of biomolecule-coated metallic silver nanoparticles and their potential cytotoxic activity against cancer cell lines

NASA Astrophysics Data System (ADS)

Prasannaraj, Govindaraj; Venkatachalam, Perumal

2017-06-01

This report describes the synthesis of metallic silver nanoparticles (AgNPs) using extracts of four medicinal plants (Aegle marmelos (A. marmelos), Alstonia scholaris (A. scholaris), Andrographis paniculata (A. paniculata) and Centella asiatica (C. asiatica)). The bio-conjugates were characterized by UV-visible spectroscopy, scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS), Fourier transform infrared spectrometry (FTIR), x-ray diffraction (XRD) and zeta potential. This analysis confirmed that UV-Vis spectral peaks at 375 nm, 380 nm, 420 nm and 380 nm are corresponding to A. marmelos, A. scholaris, A. paniculata and C. asiatica mediated AgNPs, respectively. SEM images revealed that all the obtained four AgNPs are predominantly spherical, fibres and rectangle in shape with an average size of 36-97 nm. SEM-EDS and XRD analysis confirmed the presence of elemental AgNPs in crystalline form for all the four nanoparticle samples. The phytochemicals of various medicinal plant extracts with different functional groups were responsible for reduction of Ag+ to AgNPs, which act as capping and stabilizing agent. Among four types of AgNPs tested for anticancer activity, the Ap mediated AgNPs had shown enhanced activity against HepG2 cells (27.01 µg ml-1) and PC3 cells (32.15 µg ml-1).

Adaptive mesh strategies for the spectral element method

NASA Technical Reports Server (NTRS)

Mavriplis, Catherine

1992-01-01

An adaptive spectral method was developed for the efficient solution of time dependent partial differential equations. Adaptive mesh strategies that include resolution refinement and coarsening by three different methods are illustrated on solutions to the 1-D viscous Burger equation and the 2-D Navier-Stokes equations for driven flow in a cavity. Sharp gradients, singularities, and regions of poor resolution are resolved optimally as they develop in time using error estimators which indicate the choice of refinement to be used. The adaptive formulation presents significant increases in efficiency, flexibility, and general capabilities for high order spectral methods.

Simulation of ultrasonic wave propagation in anisotropic poroelastic bone plate using hybrid spectral/finite element method.

PubMed

Nguyen, Vu-Hieu; Naili, Salah

2012-08-01

This paper deals with the modeling of guided waves propagation in in vivo cortical long bone, which is known to be anisotropic medium with functionally graded porosity. The bone is modeled as an anisotropic poroelastic material by using Biot's theory formulated in high frequency domain. A hybrid spectral/finite element formulation has been developed to find the time-domain solution of ultrasonic waves propagating in a poroelastic plate immersed in two fluid halfspaces. The numerical technique is based on a combined Laplace-Fourier transform, which allows to obtain a reduced dimension problem in the frequency-wavenumber domain. In the spectral domain, as radiation conditions representing infinite fluid halfspaces may be exactly introduced, only the heterogeneous solid layer needs to be analyzed by using finite element method. Several numerical tests are presented showing very good performance of the proposed procedure. A preliminary study on the first arrived signal velocities computed by using equivalent elastic and poroelastic models will be presented. Copyright © 2012 John Wiley & Sons, Ltd.

Synthesis, characterization, crystal structure and theoretical study of a compound with benzodiazole ring: antimicrobial activity and DNA binding.

PubMed

Latha, P; Kodisundaram, P; Sundararajan, M L; Jeyakumar, T

2014-08-14

2-(Thiophen-2-yl)-1-((thiophen-2-yl)methyl)-1H-1,3-benzodiazole (HL) is synthesized and characterized by elemental analysis, UV-Vis, FT-IR, (1)H, (13)C NMR, mass spectra, scanning electron microscope (SEM) and single crystal X-ray diffraction. The crystal structure is stabilized by intermolecular CH⋯N and CH⋯π interactions. The molecular structure is also optimized at the B3LYP/6-31G level using density functional theory (DFT). The structural parameters from the theory are nearer to those of crystal, the calculated total energy of coordination is -1522.814a.u. The energy of HOMO-LUMO and the energy gap are -0.20718, -0.04314, 0.16404a.u, respectively. All data obtained from the spectral studies support the structural properties of the compound HL. The benzimidazole ring is essentially planar. The in vitro biological screening effects of the synthesized compound is tested against four bacterial and four fungal strains by well diffusion method. Antioxidant property and DNA binding behaviour of the compound has been investigated using spectrophotometric method. Copyright © 2014 Elsevier B.V. All rights reserved.

Molecular Analysis of Motility in Metastatic Mammary Adenocarcinoma Cells

DTIC Science & Technology

1996-09-01

elements of epidermoid carcinoma (A43 1) cells. J. Cell. Biol. 103: 87-94 Winkler, M. (1988). Translational regulation in sea urchin eggs: a complex...and Methods. Error bars show SEM . Figure 2. Rhodamine-actin polymerizes preferentially at the tips of lamellipods in EGF- stimulated cells. MTLn3...lamellipods. B) rhodamine-actin intensity at the cell center. Data for each time point is the average and SEM of 15 different cells. Images A and B

Efficiency of perfectly matched layers for seismic wave modeling in second-order viscoelastic equations

NASA Astrophysics Data System (ADS)

Ping, Ping; Zhang, Yu; Xu, Yixian; Chu, Risheng

2016-12-01

In order to improve the perfectly matched layer (PML) efficiency in viscoelastic media, we first propose a split multi-axial PML (M-PML) and an unsplit convolutional PML (C-PML) in the second-order viscoelastic wave equations with the displacement as the only unknown. The advantage of these formulations is that it is easy and efficient to revise the existing codes of the second-order spectral element method (SEM) or finite-element method (FEM) with absorbing boundaries in a uniform equation, as well as more economical than the auxiliary differential equations PML. Three models which are easily suffered from late time instabilities are considered to validate our approaches. Through comparison the M-PML with C-PML efficiency of absorption and stability for long time simulation, it can be concluded that: (1) for an isotropic viscoelastic medium with high Poisson's ratio, the C-PML will be a sufficient choice for long time simulation because of its weak reflections and superior stability; (2) unlike the M-PML with high-order damping profile, the M-PML with second-order damping profile loses its stability in long time simulation for an isotropic viscoelastic medium; (3) in an anisotropic viscoelastic medium, the C-PML suffers from instabilities, while the M-PML with second-order damping profile can be a better choice for its superior stability and more acceptable weak reflections than the M-PML with high-order damping profile. The comparative analysis of the developed methods offers meaningful significance for long time seismic wave modeling in second-order viscoelastic wave equations.

Measuring Mass-Based Hygroscopicity of Atmospheric Particles through in situ Imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piens, Dominique` Y.; Kelly, Stephen T.; Harder, Tristan

Quantifying how atmospheric particles interact with water vapor is critical for understanding the effects of aerosols on climate. We present a novel method to measure the mass-based hygroscopicity of particles while characterizing their elemental and carbon functional group compositions. Since mass-based hygroscopicity is insensitive to particle geometry, it is advantageous for probing the hygroscopic behavior of atmospheric particles, which can have irregular morphologies. Combining scanning electron microscopy with energy dispersive X-ray analysis (SEM/EDX), scanning transmission X-ray microscopy (STXM) analysis, and in situ STXM humidification experiments, this method was validated using laboratory-generated, atmospherically relevant particles. Then, the hygroscopicity and elemental compositionmore » of 15 complex atmospheric particles were analyzed by leveraging quantification of C, N, and O from STXM, and complementary elemental quantification from SEM/EDX. We found three types of hygroscopic responses, and correlated high hygroscopicity with Na and Cl content. The mixing state determined for 158 particles broadly agreed with those of the humidified particles, indicating the potential to infer the atmospheric hygroscopic behavior from a selected subset of particles. These methods offer unique quantitative capabilities to characterize and correlate the hygroscopicity and chemistry of individual submicron atmospheric particles.« less

Spectral-element global waveform tomography: A second-generation upper-mantle model

NASA Astrophysics Data System (ADS)

French, S. W.; Lekic, V.; Romanowicz, B. A.

2012-12-01

The SEMum model of Lekic and Romanowicz (2011a) was the first global upper-mantle VS model obtained using whole-waveform inversion with spectral element (SEM: Komatitsch and Vilotte, 1998) forward modeling of time domain three component waveforms. SEMum exhibits stronger amplitudes of heterogeneity in the upper 200km of the mantle compared to previous global models - particularly with respect to low-velocity anomalies. To make SEM-based waveform inversion tractable at global scales, SEMum was developed using: (1) a version of SEM coupled to 1D mode computation in the earth's core (C-SEM, Capdeville et al., 2003); (2) asymptotic normal-mode sensitivity kernels, incorporating multiple forward scattering and finite-frequency effects in the great-circle plane (NACT: Li and Romanowicz, 1995); and (3) a smooth anisotropic crustal layer of uniform 60km thickness, designed to match global surface-wave dispersion while reducing the cost of time integration in the SEM. The use of asymptotic kernels reduced the number of SEM computations considerably (≥ 3x) relative to purely numerical approaches (e.g. Tarantola, 1984), while remaining sufficiently accurate at the periods of interest (down to 60s). However, while the choice of a 60km crustal-layer thickness is justifiable in the continents, it can complicate interpretation of shallow oceanic upper-mantle structure. We here present an update to the SEMum model, designed primarily to address these concerns. The resulting model, SEMum2, was derived using a crustal layer that again fits global surface-wave dispersion, but with a more geologically consistent laterally varying thickness: approximately honoring Crust2.0 (Bassin, et al., 2000) Moho depth in the continents, while saturating at 30km in the oceans. We demonstrate that this approach does not bias our upper mantle model, which is constrained not only by fundamental mode surface waves, but also by overtone waveforms. We have also improved our data-selection and assimilation scheme, more readily allowing for additional and higher-quality data to be incorporated into our inversion as the model improves. Further, we have been able to refine the parameterization of the isotropic component of our model, previously limited by our ability to solve the large dense linear system that governs model updates (Tarantola and Valette, 1982). The construction of SEMum2 involved 3 additional inversion iterations away from SEMum. Overall, the combined effect of these improvements confirms and validates the general structure of the original SEMum. Model amplitudes remain an impressive feature in SEMum2, wherein peak-to-peak variation in VS can exceed 15% in close lateral juxtaposition. Further, many intriguing structures present in SEMum are now imaged with improved resolution in the updated model. In particular, the geographic extents of the anomalous oceanic cluster identified by Lekic and Romanowicz (2011b) are consistent with our findings and now allow us to further identify alternating bands of lower and higher velocities in the 200-300km depth range beneath the Pacific basin, with a characteristic spacing of ˜2000km normal to absolute plate motion. Possible dynamic interpretation of these and other features in the ocean basins is explored in a companion presentation (Romanowicz et al., this meeting).

Preconditioned conjugate residual methods for the solution of spectral equations

NASA Technical Reports Server (NTRS)

Wong, Y. S.; Zang, T. A.; Hussaini, M. Y.

1986-01-01

Conjugate residual methods for the solution of spectral equations are described. An inexact finite-difference operator is introduced as a preconditioner in the iterative procedures. Application of these techniques is limited to problems for which the symmetric part of the coefficient matrix is positive definite. Although the spectral equation is a very ill-conditioned and full matrix problem, the computational effort of the present iterative methods for solving such a system is comparable to that for the sparse matrix equations obtained from the application of either finite-difference or finite-element methods to the same problems. Numerical experiments are shown for a self-adjoint elliptic partial differential equation with Dirichlet boundary conditions, and comparison with other solution procedures for spectral equations is presented.

Building a Relationship between Elements of Product Form Features and Vocabulary Assessment Models

ERIC Educational Resources Information Center

Lo, Chi-Hung

2016-01-01

Based on the characteristic feature parameterization and the superiority evaluation method (SEM) in extension engineering, a product-shape design method was proposed in this study. The first step of this method is to decompose the basic feature components of a product. After that, the morphological chart method is used to segregate the ideas so as…

[Spectroscopic Research on Slag Nanocrystal Glass Ceramics Containing Rare Earth Elements].

PubMed

Ouyang, Shun-li; Li, Bao-wei; Zhang, Xue-feng; Jia, Xiao-lin; Zhao, Ming; Deng, Lei-bo

2015-08-01

The research group prepared the high-performance slag nanocrystal glass ceramics by utilizing the valuable elements of the wastes in the Chinese Bayan Obo which are characterized by their symbiotic or associated existence. In this paper, inductively coupled plasma emission spectroscopy (ICP), X-ray diffraction (XRD), Raman spectroscopy (Raman) and scanning electron microscopy (SEM) are all used in the depth analysis for the composition and structure of the samples. The experiment results of ICP, XRD and SEM showed that the principal crystalline phase of the slag nanocrystal glass ceramics containing rare earth elements is diopside, its grain size ranges from 45 to 100 nm, the elements showed in the SEM scan are basically in consistent with the component analysis of ICP. Raman analysis indicated that its amorphous phase is a three-dimensional network structure composed by the structural unit of silicon-oxy tetrahedron with different non-bridging oxygen bonds. According to the further analysis, we found that the rare earth microelement has significant effect on the network structure. Compared the nanocrystal slag glass ceramic with the glass ceramics of similar ingredients, we found that generally, the Raman band wavenumber for the former is lower than the later. The composition difference between the glass ceramics and the slag nanocrystal with the similar ingredients mainly lies on the rare earth elements and other trace elements. Therefore, we think that the rare earth elements and other trace elements remains in the slag nanocrystal glass ceramics have a significant effect on the network structure of amorphous phase. The research method of this study provides an approach for the relationship among the composition, structure and performance of the glass ceramics.

Spectroscopic Monitoring of the Laser Cleaning Applied to Ancient Marbles from Mediterranean Areas

NASA Astrophysics Data System (ADS)

Lazic, V.; Colao, F.; Fantoni, R.; Fiorani, L.; Palucci, A.; Striber, J.; Santagata, A.; Morone, A.; Spizzicchino, V.

Laser Induced Breakdown Spectroscopy (LIBS) analysis by Nd:YAG laser emitting at 355nm were performed on different clean and dirty surfaces of marble fragments collected from ancient quarries in Greece, Turkey and Italy, in order to determine semi-quantitavely the atomic composition of the bulk material and encrustation. The method here developed for element concentrations retrieval could be applied during laser cleaning process to supply the information about the effective crust composition at different depths and the point where the process should be interrupted. The knowledge of the crust composition along successive layers is also important for determining the restoration procedures. The elements measured in the encrustations, such as Si, Al, Ca, C, Ti, Mn, Mg, Na, Ba, Sr and Cu are also present in the bulk, but at different concentrations whose determination allows for the process monitoring. The only element here observed in the crusts and not detected in the bulk materials is Chromium, whose progressive disappearance from LIBS spectra could be used as another indicator of the laser cleaning effectiveness. On a sample from Turkey also Vanadium was detected in the encrustation. The present LIBS measuring method was validated by SEM-EDX and ICP analyses. The clean marble surface and encrustations were further analysed by Laser Induced Fluorescence (LIF), which could be used as an alternative technique for the on-line control of the cleaning effectiveness. Better discrimination between dirty and clean marble surface was obtained when 266nm excitation was applied instead of 355 nm. Characteristic LIF spectral signatures allows for the discrimination between different type of the natural stones, even under the water.

Dynamic analysis of beam-cable coupled systems using Chebyshev spectral element method

NASA Astrophysics Data System (ADS)

Huang, Yi-Xin; Tian, Hao; Zhao, Yang

2017-10-01

The dynamic characteristics of a beam-cable coupled system are investigated using an improved Chebyshev spectral element method in order to observe the effects of adding cables on the beam. The system is modeled as a double Timoshenko beam system interconnected by discrete springs. Utilizing Chebyshev series expansion and meshing the system according to the locations of its connections, numerical results of the natural frequencies and mode shapes are obtained using only a few elements, and the results are validated by comparing them with the results of a finite-element method. Then the effects of the cable parameters and layout of connections on the natural frequencies and mode shapes of a fixed-pinned beam are studied. The results show that the modes of a beam-cable coupled system can be classified into two types, beam mode and cable mode, according to the dominant deformation. To avoid undesirable vibrations of the cable, its parameters should be controlled in a reasonable range, or the layout of the connections should be optimized.

High frequency, multi-axis dynamic stiffness analysis of a fractionally damped elastomeric isolator using continuous system theory

NASA Astrophysics Data System (ADS)

Fredette, Luke; Singh, Rajendra

2017-02-01

A spectral element approach is proposed to determine the multi-axis dynamic stiffness terms of elastomeric isolators with fractional damping over a broad range of frequencies. The dynamic properties of a class of cylindrical isolators are modeled by using the continuous system theory in terms of homogeneous rods or Timoshenko beams. The transfer matrix type dynamic stiffness expressions are developed from exact harmonic solutions given translational or rotational displacement excitations. Broadband dynamic stiffness magnitudes (say up to 5 kHz) are computationally verified for axial, torsional, shear, flexural, and coupled stiffness terms using a finite element model. Some discrepancies are found between finite element and spectral element models for the axial and flexural motions, illustrating certain limitations of each method. Experimental validation is provided for an isolator with two cylindrical elements (that work primarily in the shear mode) using dynamic measurements, as reported in the prior literature, up to 600 Hz. Superiority of the fractional damping formulation over structural or viscous damping models is illustrated via experimental validation. Finally, the strengths and limitations of the spectral element approach are briefly discussed.

Asynchronous communication in spectral-element and discontinuous Galerkin methods for atmospheric dynamics – a case study using the High-Order Methods Modeling Environment (HOMME-homme_dg_branch)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jamroz, Benjamin F.; Klofkorn, Robert

The scalability of computational applications on current and next-generation supercomputers is increasingly limited by the cost of inter-process communication. We implement non-blocking asynchronous communication in the High-Order Methods Modeling Environment for the time integration of the hydrostatic fluid equations using both the spectral-element and discontinuous Galerkin methods. This allows the overlap of computation with communication, effectively hiding some of the costs of communication. A novel detail about our approach is that it provides some data movement to be performed during the asynchronous communication even in the absence of other computations. This method produces significant performance and scalability gains in large-scalemore » simulations.« less

Asynchronous communication in spectral-element and discontinuous Galerkin methods for atmospheric dynamics – a case study using the High-Order Methods Modeling Environment (HOMME-homme_dg_branch)

DOE PAGES

Jamroz, Benjamin F.; Klofkorn, Robert

2016-08-26

The scalability of computational applications on current and next-generation supercomputers is increasingly limited by the cost of inter-process communication. We implement non-blocking asynchronous communication in the High-Order Methods Modeling Environment for the time integration of the hydrostatic fluid equations using both the spectral-element and discontinuous Galerkin methods. This allows the overlap of computation with communication, effectively hiding some of the costs of communication. A novel detail about our approach is that it provides some data movement to be performed during the asynchronous communication even in the absence of other computations. This method produces significant performance and scalability gains in large-scalemore » simulations.« less

Satellite Characterization of Biomass Burning: Fourier Transform Infrared Spectroscopy (FTIR) and Scanning Electron Microscope Study of Combustion Experiments

NASA Astrophysics Data System (ADS)

Padilla, D.; Steiner, J. C.

2005-12-01

Fourier Transform Infrared (FTIR) examination of the combustion products of selected forest materials using a meeker burner flame at temperatures up to 500 degrees Celsius produces a cluster of broad distinct peaks throughout the 400 to 4000 cm-1 wavenumber interval. Distinct bands bracketed by wavenumbers 400-700, 1500-1700, 2200-2400 and 3300-3600 cm-1 show variable intensity with an average difference between the least absorbing and most strongly absorbing species of approximately fifty percent. Given that spectral band differences of ten percent are within the range of modern satellite spectrometers, these band differences are of potential value for discriminating between fires that are impacting a range of vegetation types. Corresponding scanning electron microscope and energy dispersive micro-chemical (SEM/ED) analysis establishes that the evolved soot particles exhibit a characteristic rounded morphology, are carbon rich and host a wide range of adsorbed elements, including calcium, aluminum, potassium, silicon, sulfur and trace nitrogen. Combustion experiments involving leaves and branches as a subset of the biomass experiments at 200-500 degrees Celsius yield a similar broad background, but with peak shifts for maxima residing at less than 1700 cm-1. Additional peaks appear in the ranges 1438-1444, 875 and 713 cm-1. These peak are of potential use for discriminating between hot and smoldering fires, and between soot and smoke yields from green woods and whole-wood or lumber. The spectral shifts noted for low temperature smoldering conditions are in the vicinity of those cited for green vegetation and may not be resolved by present satellite platforms. Nevertheless, the experimental peak data set is of potential use for discriminating between a conflagration or accentuated fire and one characterized by smoldering at low temperature. SEM/ED analysis of the combusted leaf, branch, bark and various crown assemblages yields comparable morphological and geochemical signatures although potassium and light elements are slightly concentrated in effluent from the leafy matrix.

Imaginary refractive index and other microphysical properties of volcanic ash, Sarahan dust, and other mineral aerosols

NASA Astrophysics Data System (ADS)

Rocha Lima, A.; Martins, J.; Krotkov, N. A.; Artaxo, P.; Todd, M.; Ben Ami, Y.; Dolgos, G.; Espinosa, R.

2013-12-01

Aerosol properties are essential to support remote sensing measurements, atmospheric circulation and climate models. This research aims to improve the understanding of the optical and microphysical properties of different types of aerosols particles. Samples of volcanic ash, Saharan dust and other mineral aerosols particles were analyzed by different techniques. Ground samples were sieved down to 45um, de-agglomerated and resuspended in the laboratory using a Fluidized Bed Aerosol Generator (FBAG). Particles were collected on Nuclepore filters into PM10, PM2.5, or PM1.0. and analyzed by different techniques, such as Scanning Electron Microscopy (SEM) for determination of size distribution and shape, spectral reflectance for determination of the optical absorption properties as a function of the wavelength, material density, and X-Ray fluorescence for the elemental composition. The spectral imaginary part of refractive index from the UV to the short wave infrared (SWIR) wavelength was derived empirically from the measurements of the spectral mass absorption coefficient, size distribution and density of the material. Some selected samples were also analyzed with the Polarized Imaging Nephelometer (PI-Neph) instrument for the characterization of the aerosol polarized phase function. This work compares results of the spectral refractive index of different materials obtained by our methodology with those available in the literature. In some cases there are significant differences both in magnitude and spectral dependence of the imaginary refractive index. These differences are evaluated and discussed in this work.

A high-order staggered finite-element vertical discretization for non-hydrostatic atmospheric models

DOE PAGES

Guerra, Jorge E.; Ullrich, Paul A.

2016-06-01

Atmospheric modeling systems require economical methods to solve the non-hydrostatic Euler equations. Two major differences between hydrostatic models and a full non-hydrostatic description lies in the vertical velocity tendency and numerical stiffness associated with sound waves. In this work we introduce a new arbitrary-order vertical discretization entitled the staggered nodal finite-element method (SNFEM). Our method uses a generalized discrete derivative that consistently combines the discontinuous Galerkin and spectral element methods on a staggered grid. Our combined method leverages the accurate wave propagation and conservation properties of spectral elements with staggered methods that eliminate stationary (2Δ x) modes. Furthermore, high-order accuracymore » also eliminates the need for a reference state to maintain hydrostatic balance. In this work we demonstrate the use of high vertical order as a means of improving simulation quality at relatively coarse resolution. We choose a test case suite that spans the range of atmospheric flows from predominantly hydrostatic to nonlinear in the large-eddy regime. Lastly, our results show that there is a distinct benefit in using the high-order vertical coordinate at low resolutions with the same robust properties as the low-order alternative.« less

A high-order staggered finite-element vertical discretization for non-hydrostatic atmospheric models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guerra, Jorge E.; Ullrich, Paul A.

Atmospheric modeling systems require economical methods to solve the non-hydrostatic Euler equations. Two major differences between hydrostatic models and a full non-hydrostatic description lies in the vertical velocity tendency and numerical stiffness associated with sound waves. In this work we introduce a new arbitrary-order vertical discretization entitled the staggered nodal finite-element method (SNFEM). Our method uses a generalized discrete derivative that consistently combines the discontinuous Galerkin and spectral element methods on a staggered grid. Our combined method leverages the accurate wave propagation and conservation properties of spectral elements with staggered methods that eliminate stationary (2Δ x) modes. Furthermore, high-order accuracymore » also eliminates the need for a reference state to maintain hydrostatic balance. In this work we demonstrate the use of high vertical order as a means of improving simulation quality at relatively coarse resolution. We choose a test case suite that spans the range of atmospheric flows from predominantly hydrostatic to nonlinear in the large-eddy regime. Lastly, our results show that there is a distinct benefit in using the high-order vertical coordinate at low resolutions with the same robust properties as the low-order alternative.« less

Adjoint tomography and centroid-moment tensor inversion of the Kanto region, Japan

NASA Astrophysics Data System (ADS)

Miyoshi, T.

2017-12-01

A three-dimensional seismic wave speed model in the Kanto region of Japan was developed using adjoint tomography based on large computing. Starting with a model based on previous travel time tomographic results, we inverted the waveforms obtained at seismic broadband stations from 140 local earthquakes in the Kanto region to obtain the P- and S-wave speeds Vp and Vs. The synthetic displacements were calculated using the spectral element method (SEM; e.g. Komatitsch and Tromp 1999; Peter et al. 2011) in which the Kanto region was parameterized using 16 million grid points. The model parameters Vp and Vs were updated iteratively by Newton's method using the misfit and Hessian kernels until the misfit between the observed and synthetic waveforms was minimized. The proposed model reveals several anomalous areas with extremely low Vs values in comparison with those of the initial model. The synthetic waveforms obtained using the newly proposed model for the selected earthquakes show better fit than the initial model to the observed waveforms in different period ranges within 5-30 s. In the present study, all centroid times of the source solutions were determined using time shifts based on cross correlation to prevent high computing resources before the structural inversion. Additionally, parameters of centroid-moment solutions were fully determined using the SEM assuming the 3D structure (e.g. Liu et al. 2004). As a preliminary result, new solutions were basically same as their initial solutions. This may indicate that the 3D structure is not effective for the source estimation. Acknowledgements: This study was supported by JSPS KAKENHI Grant Number 16K21699.

Adjoint tomography of the crust and upper mantle structure beneath the Kanto region using broadband seismograms

NASA Astrophysics Data System (ADS)

Miyoshi, Takayuki; Obayashi, Masayuki; Peter, Daniel; Tono, Yoko; Tsuboi, Seiji

2017-12-01

A three-dimensional seismic wave speed model in the Kanto region of Japan was developed using adjoint tomography for application in the effective reproduction of observed waveforms. Starting with a model based on previous travel time tomographic results, we inverted the waveforms obtained at seismic broadband stations from 140 local earthquakes in the Kanto region to obtain the P- and S-wave speeds V p and V s . Additionally, all centroid times of the source solutions were determined before the structural inversion. The synthetic displacements were calculated using the spectral-element method (SEM) in which the Kanto region was parameterized using 16 million grid points. The model parameters V p and V s were updated iteratively by Newton's method using the misfit and Hessian kernels until the misfit between the observed and synthetic waveforms was minimized. Computations of the forward and adjoint simulations were conducted on the K computer in Japan. The optimized SEM code required a total of 6720 simulations using approximately 62,000 node hours to obtain the final model after 16 iterations. The proposed model reveals several anomalous areas with extremely low- V s values in comparison with those of the initial model. These anomalies were found to correspond to geological features, earthquake sources, and volcanic regions with good data coverage and resolution. The synthetic waveforms obtained using the newly proposed model for the selected earthquakes showed better fit than the initial model to the observed waveforms in different period ranges within 5-30 s. This result indicates that the model can accurately predict actual waveforms. [Figure not available: see fulltext.

Internal iron biomineralization in Imperata cylindrica, a perennial grass: chemical composition, speciation and plant localization.

PubMed

Rodríguez, N; Menéndez, N; Tornero, J; Amils, R; de la Fuente, V

2005-03-01

* The analysis of metal distribution in Imperata cylindrica, a perennial grass isolated from the banks of Tinto River (Iberian Pyritic Belt), an extreme acidic environment with high content in metals, has shown a remarkable accumulation of iron. This property has been used to study iron speciation and its distribution among different tissues and structures of the plant. * Mossbauer (MS) and X-ray diffraction (XRD) were used to determine the iron species, scanning electron microscopy (SEM) to locate iron biominerals among plant tissue structures, and energy-dispersive X-ray microanalysis (EDAX), X-ray fluorescence (TXRF) and inductively coupled plasma emission spectroscopy (ICP-MS) to confirm their elemental composition. * The MS spectral analysis indicated that iron accumulated in this plant mainly as jarosite and ferritin. The presence of jarosite was confirmed by XRD and the distribution of both minerals in structures of different tissues was ascertained by SEM-EDAX analysis. * The convergent results obtained by complementary techniques suggest a complex iron management system in I. cylindrica, probably as a consequence of the environmental conditions of its habitat.

A Spectral Element Ocean Model on the Cray T3D: the interannual variability of the Mediterranean Sea general circulation

NASA Astrophysics Data System (ADS)

Molcard, A. J.; Pinardi, N.; Ansaloni, R.

A new numerical model, SEOM (Spectral Element Ocean Model, (Iskandarani et al, 1994)), has been implemented in the Mediterranean Sea. Spectral element methods combine the geometric flexibility of finite element techniques with the rapid convergence rate of spectral schemes. The current version solves the shallow water equations with a fifth (or sixth) order accuracy spectral scheme and about 50.000 nodes. The domain decomposition philosophy makes it possible to exploit the power of parallel machines. The original MIMD master/slave version of SEOM, written in F90 and PVM, has been ported to the Cray T3D. When critical for performance, Cray specific high-performance one-sided communication routines (SHMEM) have been adopted to fully exploit the Cray T3D interprocessor network. Tests performed with highly unstructured and irregular grid, on up to 128 processors, show an almost linear scalability even with unoptimized domain decomposition techniques. Results from various case studies on the Mediterranean Sea are shown, involving realistic coastline geometry, and monthly mean 1000mb winds from the ECMWF's atmospheric model operational analysis from the period January 1987 to December 1994. The simulation results show that variability in the wind forcing considerably affect the circulation dynamics of the Mediterranean Sea.

Elemental composition study of heavy metal (Ni, Cu, Zn) in riverbank soil by electrokinetic-assisted phytoremediation using XRF and SEM/EDX

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jamari, Suhailly; Embong, Zaidi; Bakar, Ismail

Electrokinetic (EK)-assisted phytoremediation is one of the methods that have a big potential in enhancing the ability of plant uptake in soils remediation process. This research was conducted to investigate the difference in elemental composition concentration of riverbank soil and the change of pH between pre- and post-phytoremediation under the following condition: 1) control or as-receive sample; 2) Dieffenbachia spp plant with EK system (a pair of EK electrodes connected to a direct current (DC) power supply). After the electrodes were connected to a magnitude of 6V/cm{sup −1} electric field for 4 hours/day, the soil and plant samples were analyzedmore » using and X-ray Fluorescence Spectrometer (XRF) and Scanning Electron Microscope / Energy Dispersive X-ray Spectroscopy (SEM/EDX). The SEM/EDX analysis showed that concentration of elemental composition (Ni, Cu and Zn) in post-phytoremediation plant powder samples had increase while elemental concentrations in the post-phytoremediation soil samples were decreased. XRF analysis presented a variation in soil elemental composition concentration from anode to cathode where the concentration near anode region increased while decreased near the cathode region. A significant changes in soil pH were obtained where the soil pH increase in cathode region while decrease in anode region. The results reveal that the assistance of EK in phytoremediation process has increase the efficiency of plant uptake.« less

Development of a Perfectly Matched Layer Technique for a Discontinuous-Galerkin Spectral-Element Method

NASA Technical Reports Server (NTRS)

Garai, Anirban; Diosady, Laslo T.; Murman, Scott M.; Madavan, Nateri K.

2016-01-01

The perfectly matched layer (PML) technique is developed in the context of a high- order spectral-element Discontinuous-Galerkin (DG) method. The technique is applied to a range of test cases and is shown to be superior compared to other approaches, such as those based on using characteristic boundary conditions and sponge layers, for treating the inflow and outflow boundaries of computational domains. In general, the PML technique improves the quality of the numerical results for simulations of practical flow configurations, but it also exhibits some instabilities for large perturbations. A preliminary analysis that attempts to understand the source of these instabilities is discussed.

Novel mixed ligand complexes of bioactive Schiff base (E)-4-(phenyl (phenylimino) methyl) benzene-1,3-diol and 2-aminophenol/2-aminobenzoic acid: synthesis, spectral characterization, antimicrobial and nuclease studies.

PubMed

Subbaraj, P; Ramu, A; Raman, N; Dharmaraja, J

2014-01-03

A novel bidentate Schiff base ligand has been synthesized using 2,4-dihydroxybenzophenone and aniline. Its mixed ligand complexes of MAB type [M=Mn(II), Co(II), Ni(II), Cu(II) and Zn(II); HA=Schiff base and B=2-aminophenol/2-aminobenzoic acid] have been synthesized and characterized on the basis of spectral data UV-Vis, IR, (1)H NMR, FAB-Mass, EPR, SEM and magnetic studies. All the complexes were soluble in DMF and DMSO. Elemental analysis and molar conductance values indicate that the complexes are non-electrolytes. HA binds with M(II) ions through azomethine and deprotonated phenolic group and B binds through the primary amine group and deprotonated phenolic/carboxylic groups. Using FAB-Mass the cleavage pattern of the ligand (HA) has been established. All the complexes adopt octahedral geometry around the metal ions. It has been confirmed with the help of UV-Vis, IR, (1)H NMR and FAB-Mass spectral data. DNA binding activities of the complexes 1d and 2d are studied by UV-Vis spectroscopy and cleavage studies of Schiff base ligand and its complexes 1d and 2d have been by agarose gel electrophoresis method. In vitro biological activities of the free ligand (HA) and their metal complexes (1a-1e and 2a-2e) were screened against few bacteria, Escherichia coli, Staphylococcus saphyphiticus, Staphylococcus aureus, Pseudomonas aeruginosa and fungi Aspergillus niger, Enterobacter species, Candida albicans by well diffusion technique. Copyright © 2013 Elsevier B.V. All rights reserved.

Spectral analysis method for detecting an element

DOEpatents

Blackwood, Larry G [Idaho Falls, ID; Edwards, Andrew J [Idaho Falls, ID; Jewell, James K [Idaho Falls, ID; Reber, Edward L [Idaho Falls, ID; Seabury, Edward H [Idaho Falls, ID

2008-02-12

A method for detecting an element is described and which includes the steps of providing a gamma-ray spectrum which has a region of interest which corresponds with a small amount of an element to be detected; providing nonparametric assumptions about a shape of the gamma-ray spectrum in the region of interest, and which would indicate the presence of the element to be detected; and applying a statistical test to the shape of the gamma-ray spectrum based upon the nonparametric assumptions to detect the small amount of the element to be detected.

Spectral statistics of the uni-modular ensemble

NASA Astrophysics Data System (ADS)

Joyner, Christopher H.; Smilansky, Uzy; Weidenmüller, Hans A.

2017-09-01

We investigate the spectral statistics of Hermitian matrices in which the elements are chosen uniformly from U(1) , called the uni-modular ensemble (UME), in the limit of large matrix size. Using three complimentary methods; a supersymmetric integration method, a combinatorial graph-theoretical analysis and a Brownian motion approach, we are able to derive expressions for 1 / N corrections to the mean spectral moments and also analyse the fluctuations about this mean. By addressing the same ensemble from three different point of view, we can critically compare their relative advantages and derive some new results.

Assessing pollution in a Mediterranean lagoon using acid volatile sulfides and estimations of simultaneously extracted metals.

PubMed

Zaaboub, Noureddine; Helali, Mohamed Amine; Martins, Maria Virgínia Alves; Ennouri, Rym; Béjaoui, Béchir; da Silva, Eduardo Ferreira; El Bour, Monia; Aleya, Lotfi

2016-11-01

Bizerte Lagoon is a southern Mediterranean semi-enclosed lagoon with a maximum depth of 12 m. After assessing sediment quality, the authors report on the physicochemical characteristics of the lagoon's surface sediment using SEM (simultaneously extracted metals) and AVS (acid volatile sulfides) as proxies. Biogeochemical tools are used to investigate the environmental disturbance at the water-sediment interface by means of SEM and AVS to seek conclusions concerning the study area's pollution status. Results confirm accumulation of trace elements in sediment. The use of the SEM-AVS model with organic matter in sediment (ƒOC) confirms possible bioavailability of accumulated trace elements, especially Zn, in the southern part of the lagoon, with organic matter playing an important role in SEM excess correction to affirm a nontoxic total metal sediment state. Individual trace element toxicity is dependent on the bioavailable fraction of SEM Metal on sediment, as is the influence of lagoon inflow from southern water sources on element bioavailability. Appropriate management strategies are highly recommended to mitigate any potential harmful effects on health from this heavy-metal-based pollution.

Is scanning electron microscopy/energy dispersive X-ray spectrometry (SEM/EDS) quantitative?

PubMed

Newbury, Dale E; Ritchie, Nicholas W M

2013-01-01

Scanning electron microscopy/energy dispersive X-ray spectrometry (SEM/EDS) is a widely applied elemental microanalysis method capable of identifying and quantifying all elements in the periodic table except H, He, and Li. By following the "k-ratio" (unknown/standard) measurement protocol development for electron-excited wavelength dispersive spectrometry (WDS), SEM/EDS can achieve accuracy and precision equivalent to WDS and at substantially lower electron dose, even when severe X-ray peak overlaps occur, provided sufficient counts are recorded. Achieving this level of performance is now much more practical with the advent of the high-throughput silicon drift detector energy dispersive X-ray spectrometer (SDD-EDS). However, three measurement issues continue to diminish the impact of SEM/EDS: (1) In the qualitative analysis (i.e., element identification) that must precede quantitative analysis, at least some current and many legacy software systems are vulnerable to occasional misidentification of major constituent peaks, with the frequency of misidentifications rising significantly for minor and trace constituents. (2) The use of standardless analysis, which is subject to much broader systematic errors, leads to quantitative results that, while useful, do not have sufficient accuracy to solve critical problems, e.g. determining the formula of a compound. (3) EDS spectrometers have such a large volume of acceptance that apparently credible spectra can be obtained from specimens with complex topography that introduce uncontrolled geometric factors that modify X-ray generation and propagation, resulting in very large systematic errors, often a factor of ten or more. © Wiley Periodicals, Inc.

Acceleration of low order finite element computation with GPUs (Invited)

NASA Astrophysics Data System (ADS)

Knepley, M. G.

2010-12-01

Considerable effort has been focused on the acceleration using GPUs of high order spectral element methods and discontinuous Galerkin finite element methods. However, these methods are not universally applicable, and much of the existing FEM software base employs low order methods. In this talk, we present a formulation of FEM, using the PETSc framework from ANL, which is amenable to GPU acceleration even at very low order. In addition, using the FEniCS system for FEM, we show that the relevant kernels can be automatically generated and optimized using a symbolic manipulation system.

[Analysis of software for identifying spectral line of laser-induced breakdown spectroscopy based on LabVIEW].

PubMed

Hu, Zhi-yu; Zhang, Lei; Ma, Wei-guang; Yan, Xiao-juan; Li, Zhi-xin; Zhang, Yong-zhi; Wang, Le; Dong, Lei; Yin, Wang-bao; Jia, Suo-tang

2012-03-01

Self-designed identifying software for LIBS spectral line was introduced. Being integrated with LabVIEW, the soft ware can smooth spectral lines and pick peaks. The second difference and threshold methods were employed. Characteristic spectrum of several elements matches the NIST database, and realizes automatic spectral line identification and qualitative analysis of the basic composition of sample. This software can analyze spectrum handily and rapidly. It will be a useful tool for LIBS.

Co-simulation coupling spectral/finite elements for 3D soil/structure interaction problems

NASA Astrophysics Data System (ADS)

Zuchowski, Loïc; Brun, Michael; De Martin, Florent

2018-05-01

The coupling between an implicit finite elements (FE) code and an explicit spectral elements (SE) code has been explored for solving the elastic wave propagation in the case of soil/structure interaction problem. The coupling approach is based on domain decomposition methods in transient dynamics. The spatial coupling at the interface is managed by a standard coupling mortar approach, whereas the time integration is dealt with an hybrid asynchronous time integrator. An external coupling software, handling the interface problem, has been set up in order to couple the FE software Code_Aster with the SE software EFISPEC3D.

[Element distribution analysis of welded fusion zone by laser-induced breakdown spectroscopy].

PubMed

Yang, Chun; Zhang, Yong; Jia, Yun-Hai; Wang, Hai-Zhou

2014-04-01

Over the past decade there has been intense activity in the study and development of laser-induced breakdown spectroscopy (LIBS). As a new tool for surface microanalysis, it caused widespread in materials science because of the advantage of rapid and high sensitivity. In the present paper, the distribution of Ni, Mn, C and Si near weld fusion line was analyzed on two kinds of weld sample. Line scanning mode analysis was carried out by three different kinds of methods, namely laser-induced breakdown spectroscopy (LIBS), scanning electron microscope/energy dispersive spectrometer (SEM/EDS) and electron probe X-ray microanalyser (EPMA). The concentration variation trend of Ni and Mn acquired by LIBS is coincident with SEM/EDS and EPMA. The result shows that the content of Ni and Mn was significantly different between weld seam and base metal on both the samples. The content of Ni and Mn was much higher in weld seam than in base metal, and a sharp concentration gradient was analyzed in the fusion zone. According to the distribution of Ni and Mn, all the three methods got a similar value of welded fusion zone width. The concentration variation trend of C and Si acquired by LIBS is not coincident with SEM/EDS and EPMA. The concentration difference between weld seam and base metal was analyzed by LIBS, but had not by SEM/EDS and EPMA, because of the low concentration and slight difference. The concentration gradient of C and Si in fusion zone was shows clearly by LIBS. For higher sensitivity performance, LIBS is much more adapted to analyze low content element than SEM/EDS and EPMA.

EIT Imaging Regularization Based on Spectral Graph Wavelets.

PubMed

Gong, Bo; Schullcke, Benjamin; Krueger-Ziolek, Sabine; Vauhkonen, Marko; Wolf, Gerhard; Mueller-Lisse, Ullrich; Moeller, Knut

2017-09-01

The objective of electrical impedance tomographic reconstruction is to identify the distribution of tissue conductivity from electrical boundary conditions. This is an ill-posed inverse problem usually solved under the finite-element method framework. In previous studies, standard sparse regularization was used for difference electrical impedance tomography to achieve a sparse solution. However, regarding elementwise sparsity, standard sparse regularization interferes with the smoothness of conductivity distribution between neighboring elements and is sensitive to noise. As an effect, the reconstructed images are spiky and depict a lack of smoothness. Such unexpected artifacts are not realistic and may lead to misinterpretation in clinical applications. To eliminate such artifacts, we present a novel sparse regularization method that uses spectral graph wavelet transforms. Single-scale or multiscale graph wavelet transforms are employed to introduce local smoothness on different scales into the reconstructed images. The proposed approach relies on viewing finite-element meshes as undirected graphs and applying wavelet transforms derived from spectral graph theory. Reconstruction results from simulations, a phantom experiment, and patient data suggest that our algorithm is more robust to noise and produces more reliable images.

Finite element method for calculating spectral and optical characteristics of axially symmetric quantum dots

NASA Astrophysics Data System (ADS)

Gusev, A. A.; Chuluunbaatar, O.; Vinitsky, S. I.; Derbov, V. L.; Hai, L. L.; Kazaryan, E. M.; Sarkisyan, H. A.

2018-04-01

We present new calculation schemes using high-order finite element method implemented on unstructured grids with triangle elements for solving boundary-value problems that describe axially symmetric quantum dots. The efficiency of the algorithms and software is demonstrated by benchmark calculations of the energy spectrum, the envelope eigenfunctions of electron, hole and exciton states, and the direct interband light absorption in conical and spheroidal impenetrable quantum dots.

Finite element analysis in fluids; Proceedings of the Seventh International Conference on Finite Element Methods in Flow Problems, University of Alabama, Huntsville, Apr. 3-7, 1989

NASA Technical Reports Server (NTRS)

Chung, T. J. (Editor); Karr, Gerald R. (Editor)

1989-01-01

Recent advances in computational fluid dynamics are examined in reviews and reports, with an emphasis on finite-element methods. Sections are devoted to adaptive meshes, atmospheric dynamics, combustion, compressible flows, control-volume finite elements, crystal growth, domain decomposition, EM-field problems, FDM/FEM, and fluid-structure interactions. Consideration is given to free-boundary problems with heat transfer, free surface flow, geophysical flow problems, heat and mass transfer, high-speed flow, incompressible flow, inverse design methods, MHD problems, the mathematics of finite elements, and mesh generation. Also discussed are mixed finite elements, multigrid methods, non-Newtonian fluids, numerical dissipation, parallel vector processing, reservoir simulation, seepage, shallow-water problems, spectral methods, supercomputer architectures, three-dimensional problems, and turbulent flows.

A general method for radio spectrum efficiency defining

NASA Astrophysics Data System (ADS)

Ramadanovic, Ljubomir M.

1986-08-01

A general method for radio spectrum efficiency defining is proposed. Although simple it can be applied to various radio services. The concept of spectral elements, as information carriers, is introduced to enable the organization of larger spectral spaces - radio network models - characteristic for a particular radio network. The method is applied to some radio network models, concerning cellular radio telephone systems and digital radio relay systems, to verify its unified approach capability. All discussed radio services operate continuously.

A High-Order Finite Spectral Volume Method for Conservation Laws on Unstructured Grids

NASA Technical Reports Server (NTRS)

Wang, Z. J.; Liu, Yen; Kwak, Dochan (Technical Monitor)

2001-01-01

A time accurate, high-order, conservative, yet efficient method named Finite Spectral Volume (FSV) is developed for conservation laws on unstructured grids. The concept of a 'spectral volume' is introduced to achieve high-order accuracy in an efficient manner similar to spectral element and multi-domain spectral methods. In addition, each spectral volume is further sub-divided into control volumes (CVs), and cell-averaged data from these control volumes is used to reconstruct a high-order approximation in the spectral volume. Riemann solvers are used to compute the fluxes at spectral volume boundaries. Then cell-averaged state variables in the control volumes are updated independently. Furthermore, TVD (Total Variation Diminishing) and TVB (Total Variation Bounded) limiters are introduced in the FSV method to remove/reduce spurious oscillations near discontinuities. A very desirable feature of the FSV method is that the reconstruction is carried out only once, and analytically, and is the same for all cells of the same type, and that the reconstruction stencil is always non-singular, in contrast to the memory and CPU-intensive reconstruction in a high-order finite volume (FV) method. Discussions are made concerning why the FSV method is significantly more efficient than high-order finite volume and the Discontinuous Galerkin (DG) methods. Fundamental properties of the FSV method are studied and high-order accuracy is demonstrated for several model problems with and without discontinuities.

Laser-induced plasma characterization through self-absorption quantification

NASA Astrophysics Data System (ADS)

Hou, JiaJia; Zhang, Lei; Zhao, Yang; Yan, Xingyu; Ma, Weiguang; Dong, Lei; Yin, Wangbao; Xiao, Liantuan; Jia, Suotang

2018-07-01

A self-absorption quantification method is proposed to quantify the self-absorption degree of spectral lines, in which plasma characteristics including electron temperature, elemental concentration ratio, and absolute species number density can be deduced directly. Since there is no spectral intensity involved in the calculation, the analysis results are independent of the self-absorption effects and the additional spectral efficiency calibration is not required. In order to evaluate the practicality, the limitation for application and the precision of this method are also discussed. Experimental results of aluminum-lithium alloy prove that the proposed method is qualified to realize semi-quantitative measurements and fast plasma characteristics diagnostics.

Preparation of highly hydrophobic cotton fabrics by modification with bifunctional silsesquioxanes in the sol-gel process

NASA Astrophysics Data System (ADS)

Przybylak, Marcin; Maciejewski, Hieronim; Dutkiewicz, Agnieszka

2016-11-01

The surface modification of cotton fabrics was carried out using two types of bifunctional fluorinated silsesquioxanes with different ratios of functional groups. The modification was performed either by one- or two-step process. Two methods, the sol-gel and the dip coating method were used in different configurations. The heat treatment and the washing process were applied after modification. The wettability of cotton fabric was evaluated by measuring water contact angles (WCA). Changes in the surface morphology were examined by scanning electron microscopy (SEM, SEM-LFD) and atomic force microscopy (AFM). Moreover, the modified fabrics were subjected to analysis of elemental composition of the applied coatings using SEM-EDS techniques. Highly hydrophobic textiles were obtained in all cases studied and one of the modifications resulted in imparting superhydrophobic properties. Most of impregnated textiles remained hydrophobic even after multiple washing process which shows that the studied modification is durable.

Measuring mass-based hygroscopicity of atmospheric particles through in situ imaging

DOE Office of Scientific and Technical Information (OSTI.GOV)

Piens, Dominique S.; Kelly, Stephen T.; Harder, Tristan H.

Quantifying how atmospheric particles interact with water vapor is critical for understanding the effects of aerosols on climate. We present a novel method to measure the mass-based hygroscopicity of particles while characterizing their elemental and carbon functional group compositions. Since mass-based hygroscopicity is insensitive to particle geometry, it is advantageous for probing the hygroscopic behavior of atmospheric particles, which can have irregular morphologies. Combining scanning electron microscopy with energy dispersive X-ray analysis (SEM/EDX), scanning transmission X-ray microscopy (STXM) analysis, and in situ STXM humidification experiments, this method was validated using laboratory-generated, atmospherically relevant particles. Then, the hygroscopicity and elemental compositionmore » of 15 complex atmospheric particles were analyzed by leveraging quantification of C, N, and O from STXM, and complementary elemental quantification from SEM/EDX. We found three types of hygroscopic responses, and correlated high hygroscopicity with Na and Cl content. The mixing state of 158 other particles from the sample broadly agreed with those of the humidified particles, indicating the potential to infer atmospheric hygroscopic behavior from a selected subset of particles. As a result, these methods offer unique quantitative capabilities to characterize and correlate the hygroscopicity and chemistry of individual submicrometer atmospheric particles.« less

Measuring mass-based hygroscopicity of atmospheric particles through in situ imaging

DOE PAGES

Piens, Dominique S.; Kelly, Stephen T.; Harder, Tristan H.; ...

2016-04-18

Quantifying how atmospheric particles interact with water vapor is critical for understanding the effects of aerosols on climate. We present a novel method to measure the mass-based hygroscopicity of particles while characterizing their elemental and carbon functional group compositions. Since mass-based hygroscopicity is insensitive to particle geometry, it is advantageous for probing the hygroscopic behavior of atmospheric particles, which can have irregular morphologies. Combining scanning electron microscopy with energy dispersive X-ray analysis (SEM/EDX), scanning transmission X-ray microscopy (STXM) analysis, and in situ STXM humidification experiments, this method was validated using laboratory-generated, atmospherically relevant particles. Then, the hygroscopicity and elemental compositionmore » of 15 complex atmospheric particles were analyzed by leveraging quantification of C, N, and O from STXM, and complementary elemental quantification from SEM/EDX. We found three types of hygroscopic responses, and correlated high hygroscopicity with Na and Cl content. The mixing state of 158 other particles from the sample broadly agreed with those of the humidified particles, indicating the potential to infer atmospheric hygroscopic behavior from a selected subset of particles. As a result, these methods offer unique quantitative capabilities to characterize and correlate the hygroscopicity and chemistry of individual submicrometer atmospheric particles.« less

Bearing Fault Diagnosis under Variable Speed Using Convolutional Neural Networks and the Stochastic Diagonal Levenberg-Marquardt Algorithm

PubMed Central

Tra, Viet; Kim, Jaeyoung; Kim, Jong-Myon

2017-01-01

This paper presents a novel method for diagnosing incipient bearing defects under variable operating speeds using convolutional neural networks (CNNs) trained via the stochastic diagonal Levenberg-Marquardt (S-DLM) algorithm. The CNNs utilize the spectral energy maps (SEMs) of the acoustic emission (AE) signals as inputs and automatically learn the optimal features, which yield the best discriminative models for diagnosing incipient bearing defects under variable operating speeds. The SEMs are two-dimensional maps that show the distribution of energy across different bands of the AE spectrum. It is hypothesized that the variation of a bearing’s speed would not alter the overall shape of the AE spectrum rather, it may only scale and translate it. Thus, at different speeds, the same defect would yield SEMs that are scaled and shifted versions of each other. This hypothesis is confirmed by the experimental results, where CNNs trained using the S-DLM algorithm yield significantly better diagnostic performance under variable operating speeds compared to existing methods. In this work, the performance of different training algorithms is also evaluated to select the best training algorithm for the CNNs. The proposed method is used to diagnose both single and compound defects at six different operating speeds. PMID:29211025

Apparatus and method using a holographic optical element for converting a spectral distribution to image points

NASA Technical Reports Server (NTRS)

McGill, Matthew J. (Inventor); Scott, Vibart S. (Inventor); Marzouk, Marzouk (Inventor)

2001-01-01

A holographic optical element transforms a spectral distribution of light to image points. The element comprises areas, each of which acts as a separate lens to image the light incident in its area to an image point. Each area contains the recorded hologram of a point source object. The image points can be made to lie in a line in the same focal plane so as to align with a linear array detector. A version of the element has been developed that has concentric equal areas to match the circular fringe pattern of a Fabry-Perot interferometer. The element has high transmission efficiency, and when coupled with high quantum efficiency solid state detectors, provides an efficient photon-collecting detection system. The element may be used as part of the detection system in a direct detection Doppler lidar system or multiple field of view lidar system.

Large-eddy simulation of a backward facing step flow using a least-squares spectral element method

NASA Technical Reports Server (NTRS)

Chan, Daniel C.; Mittal, Rajat

1996-01-01

We report preliminary results obtained from the large eddy simulation of a backward facing step at a Reynolds number of 5100. The numerical platform is based on a high order Legendre spectral element spatial discretization and a least squares time integration scheme. A non-reflective outflow boundary condition is in place to minimize the effect of downstream influence. Smagorinsky model with Van Driest near wall damping is used for sub-grid scale modeling. Comparisons of mean velocity profiles and wall pressure show good agreement with benchmark data. More studies are needed to evaluate the sensitivity of this method on numerical parameters before it is applied to complex engineering problems.

Constructing a starting 3D shear velocity model with sharp interfaces for SEM-based upper mantle tomography in North America

NASA Astrophysics Data System (ADS)

Calo, M.; Bodin, T.; Yuan, H.; Romanowicz, B. A.; Larmat, C. S.; Maceira, M.

2013-12-01

Seismic tomography is currently evolving towards 3D earth models that satisfy full seismic waveforms at increasingly high frequencies. This evolution is possible thanks to the advent of powerful numerical methods such as the Spectral Element Method (SEM) that allow accurate computation of the seismic wavefield in complex media, and the drastic increase of computational resources. However, the production of such models requires handling complex misfit functions with more than one local minimum. Standard linearized inversion methods (such as gradient methods) have two main drawbacks: 1) they produce solution models highly dependent on the starting model; 2) they do not provide a means of estimating true model uncertainties. However, these issues can be addressed with stochastic methods that can sample the space of possible solutions efficiently. Such methods are prohibitively challenging computationally in 3D, but increasingly accessible in 1D. In previous work (Yuan and Romanowicz, 2010; Yuan et al., 2011) we developed a continental scale anisotropic upper mantle model of north America based on a combination of long period seismic waveforms and SKS splitting measurements, showing the pervasive presence of layering of anisotropy in the cratonic lithosphere with significant variations in depth of the mid-lithospheric boundary. The radial anisotropy part of the model has been recently updated using the spectral element method for forward wavefield computations and waveform data from the latest deployments of USarray (Yuan and Romanowicz, 2013). However, the long period waveforms (periods > 40s) themselves only provide a relatively smooth view of the mantle if the starting model is smooth, and the mantle discontinuities necessary for geodynamical interpretation are not imaged. Increasing the frequency of the computations to constrain smaller scale features is possible, but challenging computationally, and at the risk of falling in local minima of the misfit function. In this work we propose instead to directly tackle the non-linearity of the inverse problem by using stochastic methods to construct a 3D starting model with a good estimate of the depths of the main layering interfaces. We present preliminary results of the construction of such a starting 3D model based on: (1) Regionalizing the study area to define provinces within which lateral variations are smooth; (2) Applying trans-dimensional stochastic inversion (Bodin et al., 2012) to obtain accurate 1D models in each province as well as the corresponding error distribution, constrained by receiver function and surface wave dispersion data as well as the previously constructed 3D model (name), and (3) connecting these models laterally using data-driven smoothing operators to obtain a starting 3D model with errors. References Bodin, T.,et al. 2012, Transdimensional inversion of receiver functions and surface wave dispersion, J. Geophys. Res., 117, B02301, doi:10.1029/2011JB008560. Yuan and Romanowicz, 2013, in revison. Yuan, H., et al. 2011, 3-D shear wave radially and azimuthally anisotropic velocity model of the North American upper mantle. Geophysical Journal International, 184: 1237-1260. doi: 10.1111/j.1365-246X.2010.04901.x Yuan, H. & Romanowicz, B., 2010. Lithospheric layering in the North American Craton, Nature, 466, 1063-1068.

Morphology selection for cupric oxide thin films by electrodeposition.

PubMed

Dhanasekaran, V; Mahalingam, T; Chandramohan, R

2011-10-01

Polycrystalline cupric oxide thin films were deposited using alkaline solution bath employing cathodic electrodeposition method. The thin films were electrodeposited at various solution pH. The surface morphology and elemental analyzes of the films were studied using scanning electron microscopy (SEM) and energy dispersive X-ray analysis, respectively. SEM studies revealed that the surface morphology could be tailored suitably by adjusting the pH value during deposition. Mesh average on multiple lattice mode atomic force microscopy image was obtained and reported. Copyright © 2011 Wiley-Liss, Inc.

Nonlinear Legendre Spectral Finite Elements for Wind Turbine Blade Dynamics: Preprint

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Q.; Sprague, M. A.; Jonkman, J.

2014-01-01

This paper presents a numerical implementation and examination of new wind turbine blade finite element model based on Geometrically Exact Beam Theory (GEBT) and a high-order spectral finite element method. The displacement-based GEBT is presented, which includes the coupling effects that exist in composite structures and geometric nonlinearity. Legendre spectral finite elements (LSFEs) are high-order finite elements with nodes located at the Gauss-Legendre-Lobatto points. LSFEs can be an order of magnitude more efficient that low-order finite elements for a given accuracy level. Interpolation of the three-dimensional rotation, a major technical barrier in large-deformation simulation, is discussed in the context ofmore » LSFEs. It is shown, by numerical example, that the high-order LSFEs, where weak forms are evaluated with nodal quadrature, do not suffer from a drawback that exists in low-order finite elements where the tangent-stiffness matrix is calculated at the Gauss points. Finally, the new LSFE code is implemented in the new FAST Modularization Framework for dynamic simulation of highly flexible composite-material wind turbine blades. The framework allows for fully interactive simulations of turbine blades in operating conditions. Numerical examples showing validation and LSFE performance will be provided in the final paper.« less

Performance analysis of FET microwave devices by use of extended spectral-element time-domain method

NASA Astrophysics Data System (ADS)

Sheng, Yijun; Xu, Kan; Wang, Daoxiang; Chen, Rushan

2013-05-01

The extended spectral-element time-domain (SETD) method is employed to analyse field effect transistor (FET) microwave devices. In order to impose the contribution of the FET microwave devices into the electromagnetic simulation, the SETD method is extended by introducing a lumped current term into the vector Helmholtz equation. The change of currents on each lumped component can be expressed by the change of voltage via corresponding models of equivalent circuit. The electric fields around the lumped component must be influenced by the change of voltage on each lumped component, and vice versa. So a global coupling about the EM-circuit can be built directly. The fully explicit solving scheme is maintained in this extended SETD method and the CPU time can be saved spontaneously. Three practical FET microwave devices are analysed in this article. The numerical results demonstrate the ability and accuracy of this method.

Temperature effects on cathodoluminescence of enstatite

NASA Astrophysics Data System (ADS)

Ohgo, S.; Nishido, H.

2017-12-01

Cathodoluminescence (CL) of enstatite has been extensively investigated for planetary science applications. The CL features are affected by many factors of impurities such as transition metal elements, structural defects and sample temperature. However, the temperature effects on enstatite CL have not been clarified so far. In this study, we have quantitatively evaluated temperature effects on enstatite CL. Three samples of luminescent enstatite were employed for CL spectral measurements. Color CL imaging was carried out using a cold-cathode type Luminoscope with a cooled-CCD camera. CL spectroscopy was made by a SEM-CL system, which is comprised of SEM (JEOL: JSM-5410LV) combined with a grating monochromator (OXFORD: Mono CL2). The CL emitted from the sample was collected in the range of 300-800 nm with a photomultiplier tube by a photon counting method at various temperatures from -193-50 degree C. All CL spectra were corrected for total instrumental response. Color CL imaging reveals various CL emissions with red, reddish-purple and bluish-purple in the terrestrial and extraterrestrial enstatite. All of them have two broad emission bands at around 400 nm in a blue region and at around 670 nm in a red region at room and liquid nitrogen temperatures. The spectral peak in a red region is sharpened and enhanced at lower temperature due to reduction of thermal lattice vibration and an increase in luminescent efficiency. CL intensity at around 670 nm of enstatite decreases with an increase in sample temperature up to -110 degree C from -193 degree C, and increases with an increase in sample temperature between -110 and 50 degree C. This behavior is not able to be explained by a temperature quenching theory based on an increase in the probability of non-radiative transition with the rise of temperature. A least-square fitting of the Arrhenius plot by assuming a Mott-Seitz model provides an activation energy of less than 0.01 eV in temperature quenching process from -193 to -110 degree C. According to an analytical method proposed by Barnett and Bailiff (1996), an activation energy of 0.03-0.16 eV can be estimated as a sensitizing effect on the CL from -110 up to 50 degree C. The unusual sensitizing effect has not been reported so far in the pyroxene minerals.

A spectral mimetic least-squares method for the Stokes equations with no-slip boundary condition

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gerritsma, Marc; Bochev, Pavel

Formulation of locally conservative least-squares finite element methods (LSFEMs) for the Stokes equations with the no-slip boundary condition has been a long standing problem. Existing LSFEMs that yield exactly divergence free velocities require non-standard boundary conditions (Bochev and Gunzburger, 2009 [3]), while methods that admit the no-slip condition satisfy the incompressibility equation only approximately (Bochev and Gunzburger, 2009 [4, Chapter 7]). Here we address this problem by proving a new non-standard stability bound for the velocity–vorticity–pressure Stokes system augmented with a no-slip boundary condition. This bound gives rise to a norm-equivalent least-squares functional in which the velocity can be approximatedmore » by div-conforming finite element spaces, thereby enabling a locally-conservative approximations of this variable. Here, we also provide a practical realization of the new LSFEM using high-order spectral mimetic finite element spaces (Kreeft et al., 2011) and report several numerical tests, which confirm its mimetic properties.« less

A spectral mimetic least-squares method for the Stokes equations with no-slip boundary condition

DOE PAGES

Gerritsma, Marc; Bochev, Pavel

2016-03-22

Formulation of locally conservative least-squares finite element methods (LSFEMs) for the Stokes equations with the no-slip boundary condition has been a long standing problem. Existing LSFEMs that yield exactly divergence free velocities require non-standard boundary conditions (Bochev and Gunzburger, 2009 [3]), while methods that admit the no-slip condition satisfy the incompressibility equation only approximately (Bochev and Gunzburger, 2009 [4, Chapter 7]). Here we address this problem by proving a new non-standard stability bound for the velocity–vorticity–pressure Stokes system augmented with a no-slip boundary condition. This bound gives rise to a norm-equivalent least-squares functional in which the velocity can be approximatedmore » by div-conforming finite element spaces, thereby enabling a locally-conservative approximations of this variable. Here, we also provide a practical realization of the new LSFEM using high-order spectral mimetic finite element spaces (Kreeft et al., 2011) and report several numerical tests, which confirm its mimetic properties.« less

Depth-section imaging of swine kidney by spectrally encoded microscopy

NASA Astrophysics Data System (ADS)

Liao, Jiuling; Gao, Wanrong

2016-10-01

The kidneys are essential regulatory organs whose main function is to regulate the balance of electrolytes in the blood, along with maintaining pH homeostasis. The study of the microscopic structure of the kidney will help identify kidney diseases associated with specific renal histology change. Spectrally encoded microscopy (SEM) is a new reflectance microscopic imaging technique in which a grating is used to illuminate different positions along a line on the sample with different wavelengths, reducing the size of system and imaging time. In this paper, a SEM device is described which is based on a super luminescent diode source and a home-built spectrometer. The lateral resolution was measured by imaging the USAF resolution target. The axial response curve was obtained as a reflect mirror was scanned through the focal plane axially. In order to test the feasibility of using SEM for depth-section imaging of an excised swine kidney tissue, the images of the samples were acquired by scanning the sample at 10 μm per step along the depth direction. Architectural features of the kidney tissue could be clearly visualized in the SEM images, including glomeruli and blood vessels. Results from this study suggest that SEM may be useful for locating regions with probabilities of kidney disease or cancer.

Early Fault Diagnosis of Bearings Using an Improved Spectral Kurtosis by Maximum Correlated Kurtosis Deconvolution

PubMed Central

Jia, Feng; Lei, Yaguo; Shan, Hongkai; Lin, Jing

2015-01-01

The early fault characteristics of rolling element bearings carried by vibration signals are quite weak because the signals are generally masked by heavy background noise. To extract the weak fault characteristics of bearings from the signals, an improved spectral kurtosis (SK) method is proposed based on maximum correlated kurtosis deconvolution (MCKD). The proposed method combines the ability of MCKD in indicating the periodic fault transients and the ability of SK in locating these transients in the frequency domain. A simulation signal overwhelmed by heavy noise is used to demonstrate the effectiveness of the proposed method. The results show that MCKD is beneficial to clarify the periodic impulse components of the bearing signals, and the method is able to detect the resonant frequency band of the signal and extract its fault characteristic frequency. Through analyzing actual vibration signals collected from wind turbines and hot strip rolling mills, we confirm that by using the proposed method, it is possible to extract fault characteristics and diagnose early faults of rolling element bearings. Based on the comparisons with the SK method, it is verified that the proposed method is more suitable to diagnose early faults of rolling element bearings. PMID:26610501

Simulation of Reacting Flow with a Discontinuous Spectral Element Method

NASA Astrophysics Data System (ADS)

Ghiasi, Zia; Mashayek, Farzad; Komperda, Jonathan

2013-11-01

While using high order methods is desirable in order to accurately capture the small scale mixing effects in reacting flows, the challenge is to develop and implement such methods for complex geometries. In this work, a high-order Discontinuous Spectral Element Method (DSEM) code, which solves for the Navier-Stokes equations, has been modified by adding the appropriate components to solve for scalar transport equations in order to simulate the chemical reaction. Dealing with discontinuous solution at element interfaces is a challenge that is met by patching the fluxes at mortars thus making them continuous on interfaces. The patching is performed using the Lax-Fredrichs numerical flux for scalars, whereas a generalized Riemann solver is used for the Navier-Stokes equations. Direct numerical simulation is conducted in a temporally developing mixing layer to validate the method for a single step reaction (F + rO --> [ 1 + r ] P). Next, the method is implemented to simulate a subsonic reacting flow in a slanted cavity combustor with gaseous fuel injectors to demonstrate the capability of the method to handle complex geometries. The results will be used for physical understanding of mixing and reaction in this type of combustors.

Toward real-time regional earthquake simulation of Taiwan earthquakes

NASA Astrophysics Data System (ADS)

Lee, S.; Liu, Q.; Tromp, J.; Komatitsch, D.; Liang, W.; Huang, B.

2013-12-01

We developed a Real-time Online earthquake Simulation system (ROS) to simulate regional earthquakes in Taiwan. The ROS uses a centroid moment tensor solution of seismic events from a Real-time Moment Tensor monitoring system (RMT), which provides all the point source parameters including the event origin time, hypocentral location, moment magnitude and focal mechanism within 2 minutes after the occurrence of an earthquake. Then, all of the source parameters are automatically forwarded to the ROS to perform an earthquake simulation, which is based on a spectral-element method (SEM). We have improved SEM mesh quality by introducing a thin high-resolution mesh layer near the surface to accommodate steep and rapidly varying topography. The mesh for the shallow sedimentary basin is adjusted to reflect its complex geometry and sharp lateral velocity contrasts. The grid resolution at the surface is about 545 m, which is sufficient to resolve topography and tomography data for simulations accurate up to 1.0 Hz. The ROS is also an infrastructural service, making online earthquake simulation feasible. Users can conduct their own earthquake simulation by providing a set of source parameters through the ROS webpage. For visualization, a ShakeMovie and ShakeMap are produced during the simulation. The time needed for one event is roughly 3 minutes for a 70 sec ground motion simulation. The ROS is operated online at the Institute of Earth Sciences, Academia Sinica (http://ros.earth.sinica.edu.tw/). Our long-term goal for the ROS system is to contribute to public earth science outreach and to realize seismic ground motion prediction in real-time.

Simulations of Seismic Wave Propagation on Mars

DOE PAGES

Bozdağ, Ebru; Ruan, Youyi; Metthez, Nathan; ...

2017-03-23

In this paper, we present global and regional synthetic seismograms computed for 1D and 3D Mars models based on the spectral-element method. For global simulations, we implemented a radially-symmetric Mars model with a 110 km thick crust. For this 1D model, we successfully benchmarked the 3D seismic wave propagation solver SPECFEM3D_GLOBE against the 2D axisymmetric wave propagation solver AxiSEM at periods down to 10 s. We also present higher-resolution body-wave simulations with AxiSEM down to 1 s in a model with a more complex 1D crust, revealing wave propagation effects that would have been difficult to interpret based on raymore » theory. For 3D global simulations based on SPECFEM3D_GLOBE, we superimposed 3D crustal thickness variations capturing the distinct crustal dichotomy between Mars’ northern and southern hemispheres, as well as topography, ellipticity, gravity, and rotation. The global simulations clearly indicate that the 3D crust speeds up body waves compared to the reference 1D model, whereas it significantly changes surface waveforms and their dispersive character depending on its thickness. We also perform regional simulations with the solver SES3D based on 3D crustal models derived from surface composition, thereby addressing the effects of various distinct crustal features down to 2 s. The regional simulations confirm the strong effects of crustal variations on waveforms. Finally, we conclude that the numerical tools are ready for examining more scenarios, including various other seismic models and sources.« less

Simulations of Seismic Wave Propagation on Mars

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bozdağ, Ebru; Ruan, Youyi; Metthez, Nathan

In this paper, we present global and regional synthetic seismograms computed for 1D and 3D Mars models based on the spectral-element method. For global simulations, we implemented a radially-symmetric Mars model with a 110 km thick crust. For this 1D model, we successfully benchmarked the 3D seismic wave propagation solver SPECFEM3D_GLOBE against the 2D axisymmetric wave propagation solver AxiSEM at periods down to 10 s. We also present higher-resolution body-wave simulations with AxiSEM down to 1 s in a model with a more complex 1D crust, revealing wave propagation effects that would have been difficult to interpret based on raymore » theory. For 3D global simulations based on SPECFEM3D_GLOBE, we superimposed 3D crustal thickness variations capturing the distinct crustal dichotomy between Mars’ northern and southern hemispheres, as well as topography, ellipticity, gravity, and rotation. The global simulations clearly indicate that the 3D crust speeds up body waves compared to the reference 1D model, whereas it significantly changes surface waveforms and their dispersive character depending on its thickness. We also perform regional simulations with the solver SES3D based on 3D crustal models derived from surface composition, thereby addressing the effects of various distinct crustal features down to 2 s. The regional simulations confirm the strong effects of crustal variations on waveforms. Finally, we conclude that the numerical tools are ready for examining more scenarios, including various other seismic models and sources.« less

A comparative study of qualitative and quantitative methods for the assessment of adhesive remnant after bracket debonding.

PubMed

Cehreli, S Burcak; Polat-Ozsoy, Omur; Sar, Cagla; Cubukcu, H Evren; Cehreli, Zafer C

2012-04-01

The amount of the residual adhesive after bracket debonding is frequently assessed in a qualitative manner, utilizing the adhesive remnant index (ARI). This study aimed to investigate whether quantitative assessment of the adhesive remnant yields more precise results compared to qualitative methods utilizing the 4- and 5-point ARI scales. Twenty debonded brackets were selected. Evaluation and scoring of the adhesive remnant on bracket bases were made consecutively using: 1. qualitative assessment (visual scoring) and 2. quantitative measurement (image analysis) on digital photographs. Image analysis was made on scanning electron micrographs (SEM) and high-precision elemental maps of the adhesive remnant as determined by energy dispersed X-ray spectrometry. Evaluations were made in accordance with the original 4-point and the modified 5-point ARI scales. Intra-class correlation coefficients (ICCs) were calculated, and the data were evaluated using Friedman test followed by Wilcoxon signed ranks test with Bonferroni correction. ICC statistics indicated high levels of agreement for qualitative visual scoring among examiners. The 4-point ARI scale was compliant with the SEM assessments but indicated significantly less adhesive remnant compared to the results of quantitative elemental mapping. When the 5-point scale was used, both quantitative techniques yielded similar results with those obtained qualitatively. These results indicate that qualitative visual scoring using the ARI is capable of generating similar results with those assessed by quantitative image analysis techniques. In particular, visual scoring with the 5-point ARI scale can yield similar results with both the SEM analysis and elemental mapping.

Dissipation-preserving spectral element method for damped seismic wave equations

NASA Astrophysics Data System (ADS)

Cai, Wenjun; Zhang, Huai; Wang, Yushun

2017-12-01

This article describes the extension of the conformal symplectic method to solve the damped acoustic wave equation and the elastic wave equations in the framework of the spectral element method. The conformal symplectic method is a variation of conventional symplectic methods to treat non-conservative time evolution problems, which has superior behaviors in long-time stability and dissipation preservation. To reveal the intrinsic dissipative properties of the model equations, we first reformulate the original systems in their equivalent conformal multi-symplectic structures and derive the corresponding conformal symplectic conservation laws. We thereafter separate each system into a conservative Hamiltonian system and a purely dissipative ordinary differential equation system. Based on the splitting methodology, we solve the two subsystems respectively. The dissipative one is cheaply solved by its analytic solution. While for the conservative system, we combine a fourth-order symplectic Nyström method in time and the spectral element method in space to cover the circumstances in realistic geological structures involving complex free-surface topography. The Strang composition method is adopted thereby to concatenate the corresponding two parts of solutions and generate the completed conformal symplectic method. A relative larger Courant number than that of the traditional Newmark scheme is found in the numerical experiments in conjunction with a spatial sampling of approximately 5 points per wavelength. A benchmark test for the damped acoustic wave equation validates the effectiveness of our proposed method in precisely capturing dissipation rate. The classical Lamb problem is used to demonstrate the ability of modeling Rayleigh wave in elastic wave propagation. More comprehensive numerical experiments are presented to investigate the long-time simulation, low dispersion and energy conservation properties of the conformal symplectic methods in both the attenuating homogeneous and heterogeneous media.

Effect of Sn on the oxide subscale structure formed on a 3% Si steel

NASA Astrophysics Data System (ADS)

Cesar, Maria das G. M. M.; Silveira, Carolina C.; Paolinelli, Sebastião C.; Cicale, Stefano

2018-04-01

Addition of tin in 3% Si steel is a method to improve magnetic properties since tin in steel is known as an element that segregates at grain boundaries, inhibits grain growth and has a dragging effect on grain boundary movement. However, tin is generally known as an element that has a harmful effect on surface coating properties. The oxide subscale formed on the decarburization annealing of a 3% Si steel containing tin was investigated by SEM, EDS, GDS and FTIR. The forsterite film was evaluated by SEM, EDS and GDS. The higher tin content decreased thickness, oxygen and fayalite/silica ratio in the subscale and resulted into a discontinuous forsterite film with poor oxidation resistance. After secondary coating the samples presented a reddish color due to the formation of iron oxide and poor dielectric property.

Characterization of toners and inkjets by laser ablation spectrochemical methods and Scanning Electron Microscopy-Energy Dispersive X-ray Spectroscopy

NASA Astrophysics Data System (ADS)

Trejos, Tatiana; Corzo, Ruthmara; Subedi, Kiran; Almirall, José

2014-02-01

Detection and sourcing of counterfeit currency, examination of counterfeit security documents and determination of authenticity of medical records are examples of common forensic document investigations. In these cases, the physical and chemical composition of the ink entries can provide important information for the assessment of the authenticity of the document or for making inferences about common source. Previous results reported by our group have demonstrated that elemental analysis, using either Laser Ablation-Inductively Coupled Plasma-Mass Spectrometry (LA-ICP-MS) or Laser Ablation Induced Breakdown Spectroscopy (LIBS), provides an effective, practical and robust technique for the discrimination of document substrates and writing inks with minimal damage to the document. In this study, laser-based methods and Scanning Electron Microscopy-Energy Dispersive X-Ray Spectroscopy (SEM-EDS) methods were developed, optimized and validated for the forensic analysis of more complex inks such as toners and inkjets, to determine if their elemental composition can differentiate documents printed from different sources and to associate documents that originated from the same printing source. Comparison of the performance of each of these methods is presented, including the analytical figures of merit, discrimination capability and error rates. Different calibration strategies resulting in semi-quantitative and qualitative analysis, comparison methods (match criteria) and data analysis and interpretation tools were also developed. A total of 27 black laser toners originating from different manufacturing sources and/or batches were examined to evaluate the discrimination capability of each method. The results suggest that SEM-EDS offers relatively poor discrimination capability for this set (~ 70.7% discrimination of all the possible comparison pairs or a 29.3% type II error rate). Nonetheless, SEM-EDS can still be used as a complementary method of analysis since it has the advantage of being non-destructive to the sample in addition to providing imaging capabilities to further characterize toner samples by their particle morphology. Laser sampling methods resulted in an improvement of the discrimination between different sources with LIBS producing 89% discrimination and LA-ICP-MS resulting in 100% discrimination. In addition, a set of 21 black inkjet samples was examined by each method. The results show that SEM-EDS is not appropriate for inkjet examinations since their elemental composition is typically below the detection capabilities with only sulfur detected in this set, providing only 47.4% discrimination between possible comparison pairs. Laser sampling methods were shown to provide discrimination greater than 94% for this same inkjet set with false exclusion and false inclusion rates lower than 4.1% and 5.7%, for LA-ICP-MS and LIBS respectively. Overall these results confirmed the utility of the examination of printed documents by laser-based micro-spectrochemical methods. SEM-EDS analysis of toners produced a limited utility for discrimination within sources but was not an effective tool for inkjet ink discrimination. Both LA-ICP-MS and LIBS can be used in forensic laboratories to chemically characterize inks on documents and to complement the information obtained by conventional methods and enhance their evidential value.

Using Finite Element and Eigenmode Expansion Methods to Investigate the Periodic and Spectral Characteristic of Superstructure Fiber Bragg Gratings

PubMed Central

He, Yue-Jing; Hung, Wei-Chih; Lai, Zhe-Ping

2016-01-01

In this study, a numerical simulation method was employed to investigate and analyze superstructure fiber Bragg gratings (SFBGs) with five duty cycles (50%, 33.33%, 14.28%, 12.5%, and 10%). This study focuses on demonstrating the relevance between design period and spectral characteristics of SFBGs (in the form of graphics) for SFBGs of all duty cycles. Compared with complicated and hard-to-learn conventional coupled-mode theory, the result of the present study may assist beginner and expert designers in understanding the basic application aspects, optical characteristics, and design techniques of SFBGs, thereby indirectly lowering the physical concepts and mathematical skills required for entering the design field. To effectively improve the accuracy of overall computational performance and numerical calculations and to shorten the gap between simulation results and actual production, this study integrated a perfectly matched layer (PML), perfectly reflecting boundary (PRB), object meshing method (OMM), and boundary meshing method (BMM) into the finite element method (FEM) and eigenmode expansion method (EEM). The integrated method enables designers to easily and flexibly design optical fiber communication systems that conform to the specific spectral characteristic by using the simulation data in this paper, which includes bandwidth, number of channels, and band gap size. PMID:26861322

The method of space-time and conservation element and solution element: A new approach for solving the Navier-Stokes and Euler equations

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung

1995-01-01

A new numerical framework for solving conservation laws is being developed. This new framework differs substantially in both concept and methodology from the well-established methods, i.e., finite difference, finite volume, finite element, and spectral methods. It is conceptually simple and designed to overcome several key limitations of the above traditional methods. A two-level scheme for solving the convection-diffusion equation is constructed and used to illuminate the major differences between the present method and those previously mentioned. This explicit scheme, referred to as the a-mu scheme, has two independent marching variables.

Accurate quantitative CF-LIBS analysis of both major and minor elements in alloys via iterative correction of plasma temperature and spectral intensity

NASA Astrophysics Data System (ADS)

Shuxia, ZHAO; Lei, ZHANG; Jiajia, HOU; Yang, ZHAO; Wangbao, YIN; Weiguang, MA; Lei, DONG; Liantuan, XIAO; Suotang, JIA

2018-03-01

The chemical composition of alloys directly determines their mechanical behaviors and application fields. Accurate and rapid analysis of both major and minor elements in alloys plays a key role in metallurgy quality control and material classification processes. A quantitative calibration-free laser-induced breakdown spectroscopy (CF-LIBS) analysis method, which carries out combined correction of plasma temperature and spectral intensity by using a second-order iterative algorithm and two boundary standard samples, is proposed to realize accurate composition measurements. Experimental results show that, compared to conventional CF-LIBS analysis, the relative errors for major elements Cu and Zn and minor element Pb in the copper-lead alloys has been reduced from 12%, 26% and 32% to 1.8%, 2.7% and 13.4%, respectively. The measurement accuracy for all elements has been improved substantially.

A spectral dynamic stiffness method for free vibration analysis of plane elastodynamic problems

NASA Astrophysics Data System (ADS)

Liu, X.; Banerjee, J. R.

2017-03-01

A highly efficient and accurate analytical spectral dynamic stiffness (SDS) method for modal analysis of plane elastodynamic problems based on both plane stress and plane strain assumptions is presented in this paper. First, the general solution satisfying the governing differential equation exactly is derived by applying two types of one-dimensional modified Fourier series. Then the SDS matrix for an element is formulated symbolically using the general solution. The SDS matrices are assembled directly in a similar way to that of the finite element method, demonstrating the method's capability to model complex structures. Any arbitrary boundary conditions are represented accurately in the form of the modified Fourier series. The Wittrick-Williams algorithm is then used as the solution technique where the mode count problem (J0) of a fully-clamped element is resolved. The proposed method gives highly accurate solutions with remarkable computational efficiency, covering low, medium and high frequency ranges. The method is applied to both plane stress and plane strain problems with simple as well as complex geometries. All results from the theory in this paper are accurate up to the last figures quoted to serve as benchmarks.

A fluid model simulation of a simplified plasma limiter based on spectral-element time-domain method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qian, Cheng; Ding, Dazhi, E-mail: dzding@njust.edu.cn; Fan, Zhenhong

2015-03-15

A simplified plasma limiter prototype is proposed and the fluid model coupled with Maxwell's equations is established to describe the operating mechanism of plasma limiter. A three-dimensional (3-D) simplified sandwich structure plasma limiter model is analyzed with the spectral-element time-domain (SETD) method. The field breakdown threshold of air and argon at different frequency is predicted and compared with the experimental data and there is a good agreement between them for gas microwave breakdown discharge problems. Numerical results demonstrate that the two-layer plasma limiter (plasma-slab-plasma) has better protective characteristics than a one-layer plasma limiter (slab-plasma-slab) with the same length of gasmore » chamber.« less

Determination of hazardous ingredients in personal care products using laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Abrar, M.; Iqbal, T.; Fahad, M.; Andleeb, M.; Farooq, Z.; Afsheen, S.

2018-05-01

In the present work, the laser-induced breakdown spectroscopy technique is applied to explore the concentration of toxic elements present in cosmetic materials. The elemental analysis of chromium (Cr), magnesium (Mg), cadmium (Cd) and lead (Pb) are selected as major elements and manganese (Mn), sodium (Na), potassium (P), sulfur (S), silicon (Si) and titanium (Ti) as minor elements in cosmetic products. In this technique, a plasma plume is generated by using an Nd:YAG Laser of 532 nm wavelength and spectral lines for the respective samples are observed. Four different samples of cosmetic products are selected, i.e. two samples for lipstick and two for eyeshadow. The observed spectral lines of all major and minor elements are used to calculate their concentration in all samples through the intensity ratio method. Among selected lipstick and eyeshadow samples, one sample is branded, and one is collected from the local market. It is observed that chromium, magnesium and lead have strong spectral lines and consequently show high concentration. The calculated concentrations are then compared to permissible limits set by the Food and Drug Administration with regard to the cosmetics industry. The concentration of these toxic elements in selected local cosmetic samples exceeds the safe permissible limit for human use and could lead to serious health problems.

An adaptable parallel algorithm for the direct numerical simulation of incompressible turbulent flows using a Fourier spectral/hp element method and MPI virtual topologies

NASA Astrophysics Data System (ADS)

Bolis, A.; Cantwell, C. D.; Moxey, D.; Serson, D.; Sherwin, S. J.

2016-09-01

A hybrid parallelisation technique for distributed memory systems is investigated for a coupled Fourier-spectral/hp element discretisation of domains characterised by geometric homogeneity in one or more directions. The performance of the approach is mathematically modelled in terms of operation count and communication costs for identifying the most efficient parameter choices. The model is calibrated to target a specific hardware platform after which it is shown to accurately predict the performance in the hybrid regime. The method is applied to modelling turbulent flow using the incompressible Navier-Stokes equations in an axisymmetric pipe and square channel. The hybrid method extends the practical limitations of the discretisation, allowing greater parallelism and reduced wall times. Performance is shown to continue to scale when both parallelisation strategies are used.

DNS of Flow in a Low-Pressure Turbine Cascade Using a Discontinuous-Galerkin Spectral-Element Method

NASA Technical Reports Server (NTRS)

Garai, Anirban; Diosady, Laslo Tibor; Murman, Scott; Madavan, Nateri

2015-01-01

A new computational capability under development for accurate and efficient high-fidelity direct numerical simulation (DNS) and large eddy simulation (LES) of turbomachinery is described. This capability is based on an entropy-stable Discontinuous-Galerkin spectral-element approach that extends to arbitrarily high orders of spatial and temporal accuracy and is implemented in a computationally efficient manner on a modern high performance computer architecture. A validation study using this method to perform DNS of flow in a low-pressure turbine airfoil cascade are presented. Preliminary results indicate that the method captures the main features of the flow. Discrepancies between the predicted results and the experiments are likely due to the effects of freestream turbulence not being included in the simulation and will be addressed in the final paper.

Spectrally formulated user-defined element in conventional finite element environment for wave motion analysis in 2-D composite structures

NASA Astrophysics Data System (ADS)

Khalili, Ashkan; Jha, Ratneshwar; Samaratunga, Dulip

2016-11-01

Wave propagation analysis in 2-D composite structures is performed efficiently and accurately through the formulation of a User-Defined Element (UEL) based on the wavelet spectral finite element (WSFE) method. The WSFE method is based on the first-order shear deformation theory which yields accurate results for wave motion at high frequencies. The 2-D WSFE model is highly efficient computationally and provides a direct relationship between system input and output in the frequency domain. The UEL is formulated and implemented in Abaqus (commercial finite element software) for wave propagation analysis in 2-D composite structures with complexities. Frequency domain formulation of WSFE leads to complex valued parameters, which are decoupled into real and imaginary parts and presented to Abaqus as real values. The final solution is obtained by forming a complex value using the real number solutions given by Abaqus. Five numerical examples are presented in this article, namely undamaged plate, impacted plate, plate with ply drop, folded plate and plate with stiffener. Wave motions predicted by the developed UEL correlate very well with Abaqus simulations. The results also show that the UEL largely retains computational efficiency of the WSFE method and extends its ability to model complex features.

Determination of 18 kinds of trace impurities in the vanadium battery grade vanadyl sulfate by ICP-OES

NASA Astrophysics Data System (ADS)

Yong, Cheng

2018-03-01

The method that direct determination of 18 kinds of trace impurities in the vanadium battery grade vanadyl sulfate by inductively coupled plasma atomic emission spectrometry (ICP-OES) was established, and the detection range includes 0.001% ∼ 0.100% of Fe, Cr, Ni, Cu, Mn, Mo, Pb, As, Co, P, Ti, Zn and 0.005% ∼ 0.100% of K, Na, Ca, Mg, Si, Al. That the influence of the matrix effects, spectral interferences and background continuum superposition in the high concentrations of vanadium ions and sulfate coexistence system had been studied, and then the following conclusions were obtained: the sulfate at this concentration had no effect on the determination, but the matrix effects or continuous background superposition which were generated by high concentration of vanadium ions had negative interference on the determination of potassium and sodium, and it produced a positive interference on the determination of the iron and other impurity elements, so that the impacts of high vanadium matrix were eliminated by the matrix matching and combining synchronous background correction measures. Through the spectral interference test, the paper classification summarized the spectral interferences of vanadium matrix and between the impurity elements, and the analytical lines, the background correction regions and working parameters of the spectrometer were all optimized. The technical performance index of the analysis method is that the background equivalent concentration -0.0003%(Na)~0.0004%(Cu), the detection limit of the element is 0.0001%∼ 0.0003%, RSD<10% when the element content is in the range from 0.001% to 0.007%, RSD< 20% even if the element content is in the range from 0.0001% to 0.001% that is beyond the scope of the method of detection, recoveries is 91.0% ∼ 110.0%.

Development of seismic fragility curves for low-rise masonry infilled reinforced concrete buildings by a coefficient-based method

NASA Astrophysics Data System (ADS)

Su, Ray Kai Leung; Lee, Chien-Liang

2013-06-01

This study presents a seismic fragility analysis and ultimate spectral displacement assessment of regular low-rise masonry infilled (MI) reinforced concrete (RC) buildings using a coefficient-based method. The coefficient-based method does not require a complicated finite element analysis; instead, it is a simplified procedure for assessing the spectral acceleration and displacement of buildings subjected to earthquakes. A regression analysis was first performed to obtain the best-fitting equations for the inter-story drift ratio (IDR) and period shift factor of low-rise MI RC buildings in response to the peak ground acceleration of earthquakes using published results obtained from shaking table tests. Both spectral acceleration- and spectral displacement-based fragility curves under various damage states (in terms of IDR) were then constructed using the coefficient-based method. Finally, the spectral displacements of low-rise MI RC buildings at the ultimate (or nearcollapse) state obtained from this paper and the literature were compared. The simulation results indicate that the fragility curves obtained from this study and other previous work correspond well. Furthermore, most of the spectral displacements of low-rise MI RC buildings at the ultimate state from the literature fall within the bounded spectral displacements predicted by the coefficient-based method.

Upscaling of Mixed Finite Element Discretization Problems by the Spectral AMGe Method

DOE PAGES

Kalchev, Delyan Z.; Lee, C. S.; Villa, U.; ...

2016-09-22

Here, we propose two multilevel spectral techniques for constructing coarse discretization spaces for saddle-point problems corresponding to PDEs involving a divergence constraint, with a focus on mixed finite element discretizations of scalar self-adjoint second order elliptic equations on general unstructured grids. We use element agglomeration algebraic multigrid (AMGe), which employs coarse elements that can have nonstandard shape since they are agglomerates of fine-grid elements. The coarse basis associated with each agglomerated coarse element is constructed by solving local eigenvalue problems and local mixed finite element problems. This construction leads to stable upscaled coarse spaces and guarantees the inf-sup compatibility ofmore » the upscaled discretization. Also, the approximation properties of these upscaled spaces improve by adding more local eigenfunctions to the coarse spaces. The higher accuracy comes at the cost of additional computational effort, as the sparsity of the resulting upscaled coarse discretization (referred to as operator complexity) deteriorates when we introduce additional functions in the coarse space. We also provide an efficient solver for the coarse (upscaled) saddle-point system by employing hybridization, which leads to a symmetric positive definite (s.p.d.) reduced system for the Lagrange multipliers, and to solve the latter s.p.d. system, we use our previously developed spectral AMGe solver. Numerical experiments, in both two and three dimensions, are provided to illustrate the efficiency of the proposed upscaling technique.« less

Upscaling of Mixed Finite Element Discretization Problems by the Spectral AMGe Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalchev, Delyan Z.; Lee, C. S.; Villa, U.

Here, we propose two multilevel spectral techniques for constructing coarse discretization spaces for saddle-point problems corresponding to PDEs involving a divergence constraint, with a focus on mixed finite element discretizations of scalar self-adjoint second order elliptic equations on general unstructured grids. We use element agglomeration algebraic multigrid (AMGe), which employs coarse elements that can have nonstandard shape since they are agglomerates of fine-grid elements. The coarse basis associated with each agglomerated coarse element is constructed by solving local eigenvalue problems and local mixed finite element problems. This construction leads to stable upscaled coarse spaces and guarantees the inf-sup compatibility ofmore » the upscaled discretization. Also, the approximation properties of these upscaled spaces improve by adding more local eigenfunctions to the coarse spaces. The higher accuracy comes at the cost of additional computational effort, as the sparsity of the resulting upscaled coarse discretization (referred to as operator complexity) deteriorates when we introduce additional functions in the coarse space. We also provide an efficient solver for the coarse (upscaled) saddle-point system by employing hybridization, which leads to a symmetric positive definite (s.p.d.) reduced system for the Lagrange multipliers, and to solve the latter s.p.d. system, we use our previously developed spectral AMGe solver. Numerical experiments, in both two and three dimensions, are provided to illustrate the efficiency of the proposed upscaling technique.« less

Deterministic control of broadband light through a multiply scattering medium via the multispectral transmission matrix

PubMed Central

Andreoli, Daria; Volpe, Giorgio; Popoff, Sébastien; Katz, Ori; Grésillon, Samuel; Gigan, Sylvain

2015-01-01

We present a method to measure the spectrally-resolved transmission matrix of a multiply scattering medium, thus allowing for the deterministic spatiospectral control of a broadband light source by means of wavefront shaping. As a demonstration, we show how the medium can be used to selectively focus one or many spectral components of a femtosecond pulse, and how it can be turned into a controllable dispersive optical element to spatially separate different spectral components to arbitrary positions. PMID:25965944

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

NASA Astrophysics Data System (ADS)

Regnier, D.; Dubray, N.; Verrière, M.; Schunck, N.

2018-04-01

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this paper, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different types of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank-Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. We emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).

Spectral and quantum chemical studies on 1,3-bis(N(1)-4-amino-6-methoxypyrimidinebenzenesulfonamide-2,2,4,4-ethane-1,2-dithiol)-2,4-dichlorocyclodiphosph(V)azane and its erbium complex.

PubMed

Al-Mogren, Muneerah M; Alaghaz, Abdel-Nasser M A; El-Gogary, Tarek M

2014-01-24

Novel 1,3-bis(N(1)-4-amino-6-methoxypyrimidine-benzenesulfonamide-2,2,4,4-ethane-1,2-dithiol)-2,4-dichlorocyclodiphosph(V)azane (L), was prepared and their coordinating behavior towards the lanthanide ion Er(III) was studied. The structures of the isolated products are proposed based on elemental analyses, IR, UV-VIS., (1)H NMR, (13)C NMR, (31)P NMR, SEM, XRD, mass spectra, effective magnetic susceptibility measurements and thermogravimetric analysis (TGA). Computational studies have been carried out at the DFT-B3LYP/6-31G(d) level of theory on the structural and spectroscopic properties of L and its binuclear Er(III) complex. Different tautomers of the ligand were optimized at the ab initio DFT level. Keto-form structure is about 17.7 kcal/mol more stable than the enol form (taking zpe correction into account). Simulated IR frequencies were scaled and compared with that experimentally measured. TD-DFT method was used to compute the UV-VIS spectra which compared by the measured electronic spectra. Copyright © 2013 Elsevier B.V. All rights reserved.

On the use of finite difference matrix-vector products in Newton-Krylov solvers for implicit climate dynamics with spectral elements

DOE PAGES

Woodward, Carol S.; Gardner, David J.; Evans, Katherine J.

2015-01-01

Efficient solutions of global climate models require effectively handling disparate length and time scales. Implicit solution approaches allow time integration of the physical system with a step size governed by accuracy of the processes of interest rather than by stability of the fastest time scales present. Implicit approaches, however, require the solution of nonlinear systems within each time step. Usually, a Newton's method is applied to solve these systems. Each iteration of the Newton's method, in turn, requires the solution of a linear model of the nonlinear system. This model employs the Jacobian of the problem-defining nonlinear residual, but thismore » Jacobian can be costly to form. If a Krylov linear solver is used for the solution of the linear system, the action of the Jacobian matrix on a given vector is required. In the case of spectral element methods, the Jacobian is not calculated but only implemented through matrix-vector products. The matrix-vector multiply can also be approximated by a finite difference approximation which may introduce inaccuracy in the overall nonlinear solver. In this paper, we review the advantages and disadvantages of finite difference approximations of these matrix-vector products for climate dynamics within the spectral element shallow water dynamical core of the Community Atmosphere Model.« less

A multimodal microcharacterisation of trace-element zonation and crystallographic orientation in natural cassiterite by combining cathodoluminescence, EBSD, EPMA and contribution of confocal Raman-in-SEM imaging.

PubMed

Wille, G; Lerouge, C; Schmidt, U

2018-01-16

In cassiterite, tin is associated with metals (titanium, niobium, tantalum, indium, tungsten, iron, manganese, mercury). Knowledge of mineral chemistry and trace-element distribution is essential for: the understanding of ore formation, the exploration phase, the feasibility of ore treatment, and disposal/treatment of tailings after the exploitation phase. However, the availability of analytical methods make these characterisations difficult. We present a multitechnical approach to chemical and structural data that includes scanning electron microscopy (SEM)-based imaging and microanalysis techniques such as: secondary and backscattered electrons, cathodoluminescence (CL), electron probe microanalyser (EPMA), electron backscattered diffraction (EBSD) and confocal Raman-imaging integrated in a SEM (RISE). The presented results show the complementarity of the used analytical techniques. SEM, CL, EBSD, EPMA provide information from the interaction of an electron beam with minerals, leading to atomistic information about their composition, whereas RISE, Raman spectroscopy and imaging completes the studies with information about molecular vibrations, which are sensitive to structural modifications of the minerals. The correlation of Raman bands with the presence/absence of Nb, Ta, Fe (heterovalent substitution) and Ti (homovalent substitution) is established at a submicrometric scale. Combination of the different techniques makes it possible to establish a direct link between chemical and crystallographic data of cassiterite. © 2018 The Authors Journal of Microscopy © 2018 Royal Microscopical Society.

A miniaturized capacitively coupled plasma microtorch optical emission spectrometer and a Rh coiled-filament as small-sized electrothermal vaporization device for simultaneous determination of volatile elements from liquid microsamples: spectral and analytical characterization.

PubMed

Frentiu, Tiberiu; Darvasi, Eugen; Butaciu, Sinziana; Ponta, Michaela; Petreus, Dorin; Mihaltan, Alin I; Frentiu, Maria

2014-11-01

A low power and low argon consumption (13.56 MHz, 15 W, 150 ml min(-1)) capacitively coupled plasma microtorch interfaced with a low-resolution microspectrometer and a small-sized electrothermal vaporization Rh coiled-filament as liquid microsample introduction device into the plasma was investigated for the simultaneous determination of several volatile elements of interest for environment. Constructive details, spectral and analytical characteristics, and optimum operating conditions of the laboratory equipment for the simultaneous determination of Ag, Cd, Cu, Pb and Zn requiring low vaporization power are provided. The method involves drying of 10 μl sample at 100°C, vaporization at 1500°C and emission measurement by capture of 20 successive spectral episodes each at an integration time of 500 ms. Experiments showed that emission of elements and plasma background were disturbed by the presence of complex matrix and hot Ar flow transporting the microsample into plasma. The emission spectrum of elements is simple, dominated by the resonance lines. The analytical system provided detection limits in the ng ml(-1) range: 0.5(Ag); 1.5(Cd); 5.6(Cu); 20(Pb) and 3(Zn) and absolute detection limits of the order of pg: 5(Ag); 15(Cd); 56(Cu); 200(Pb) and 30(Zn). It was demonstrated the utility and capability of the miniaturized analytical system in the simultaneous determination of elements in soil and water sediment using the standard addition method to compensate for the non-spectral effects of alkali and earth alkaline elements. The analysis of eight certified reference materials exhibited reliable results with recovery in the range of 95-108% and precision of 0.5-9.0% for the five examined elements. The proposed miniaturized analytical system is attractive due to the simple construction of the electrothermal vaporization device and microtorch, low costs associated to plasma generation, high analytical sensitivity and easy-to-run for simultaneous multielemental analysis of liquid microsamples. Copyright © 2014. Published by Elsevier B.V.

Stabilized high-order Galerkin methods based on a parameter-free dynamic SGS model for LES

NASA Astrophysics Data System (ADS)

Marras, Simone; Nazarov, Murtazo; Giraldo, Francis X.

2015-11-01

The high order spectral element approximation of the Euler equations is stabilized via a dynamic sub-grid scale model (Dyn-SGS). This model was originally designed for linear finite elements to solve compressible flows at large Mach numbers. We extend its application to high-order spectral elements to solve the Euler equations of low Mach number stratified flows. The major justification of this work is twofold: stabilization and large eddy simulation are achieved via one scheme only. Because the diffusion coefficients of the regularization stresses obtained via Dyn-SGS are residual-based, the effect of the artificial diffusion is minimal in the regions where the solution is smooth. The direct consequence is that the nominal convergence rate of the high-order solution of smooth problems is not degraded. To our knowledge, this is the first application in atmospheric modeling of a spectral element model stabilized by an eddy viscosity scheme that, by construction, may fulfill stabilization requirements, can model turbulence via LES, and is completely free of a user-tunable parameter. From its derivation, it will be immediately clear that Dyn-SGS is independent of the numerical method; it could be implemented in a discontinuous Galerkin, finite volume, or other environments alike. Preliminary discontinuous Galerkin results are reported as well. The straightforward extension to non-linear scalar problems is also described. A suite of 1D, 2D, and 3D test cases is used to assess the method, with some comparison against the results obtained with the most known Lilly-Smagorinsky SGS model.

Spectral response of fiber-coupled Fabry-Perot etalons.

PubMed

Ionov, Pavel

2014-03-01

In many remote sensing applications one or multiple Fabry-Perot etalons are used as high-spectral-resolution filter elements. These etalons are often coupled to a receiving telescope with a multimode fiber, leading to subtle effects of the fiber mode order on the overall spectral response of the system. A theoretical model is developed to treat the spectral response of the combined system: fiber, collimator, and etalon. The method is based on a closed-form expression of the diffracted mode in terms of a Hankel transform. In this representation, it is shown how the spectral effect of the fiber and collimator can be separated from the details of the etalon and can be viewed as a mode-dependent spectral broadening and shift.

Influence of Lanthanum Doping on the Structural and Optical Properties of Hematite Nanopowders

NASA Astrophysics Data System (ADS)

Justus, J. Sharmila; Dharma Roy, S. Dawn; Raj, A. Moses Ezhil

2016-10-01

Rare-earth elements are an attractive class of dopant elements, as they give easily trivalent cations that possibly altering the structure and other properties of the parent nanoparticles and creating multifunctional materials because of their f-electronic configurations. Herein, experimental evidence has been given for a better understanding of the factors that dictate the interactions of La doping on the structure and optical properties of iron oxide nanoparticles. For that, lanthanum doped hematite (α-Fe2O3) nanoparticles were prepared by a facile solution method using iron (III) chloride (FeCl3) as starting precursor and sodium hydroxide (NaOH) as reducing agent without templates at low temperature. As-prepared powders were subsequently calcined in air for 3 hr at 800 °C. Xray diffraction (XRD) technique was used to study the nanocrystal formation of α-Fe2O3 and Fourier Transform Raman (FT-Raman) spectral information identified the chemical bond structure of the nanoparticles. Morphology study of the nanoparticles was identified using Scanning Electron Microscope (SEM) and the incorporated La content was recognized from the Energy Dispersive X-ray Spectroscopy (EDS) analysis. The optical absorption spectrum was recorded in the wavelength range of 200-2000 nm and the optical parameters such as absorption coefficient and optical band gap energy of pure and doped Fe2O3 nanoparticles were determined. Obtained results are interpreted by considering the impregnation of trivalent La cations that replaced Fe cations of the host structure.

Application of Standards-Based Quantitative SEM-EDS Analysis to Oxide Minerals

NASA Astrophysics Data System (ADS)

Mengason, M. J.; Ritchie, N. W.; Newbury, D. E.

2016-12-01

SEM and EPMA analysis are powerful tools for documenting and evaluating the relationships between minerals in thin sections and for determining chemical compositions in-situ. The time and costs associated with determining major, minor, and some trace element concentrations in geologic materials can be reduced due to advances in EDS spectrometer performance and the availability of software tools such as NIST DTSA II to perform multiple linear least squares (MLLS) fitting of energy spectra from standards to the spectra from samples recorded under the same analytical conditions. MLLS fitting is able to overcome spectral peak overlaps among the transition-metal elements that commonly occur in oxide minerals, which had previously been seen as too difficult for EDS analysis, allowing for rapid and accurate determination of concentrations. The quantitative use of EDS is demonstrated in the chemical analysis of magnetite (NMNH 114887) and ilmenite (NMNH 96189) from the Smithsonian Natural History Museum Microbeam Standards Collection. Average concentrations from nine total spots over three grains are given in mass % listed as (recommended; measured concentration ± one standard deviation). Spectra were collected for sixty seconds live time at 15 kV and 10 nA over a 12 micrometer wide scan area. Analysis of magnetite yielded Magnesium (0.03; 0.04 ± 0.01), Aluminum (none given; 0.040 ± 0.006), Titanium (0.10; 0.11 ± 0.02), Vanadium (none given; 0.16 ± 0.01), Chromium (0.17; 0.14 ± 0.02), and Iron (70.71, 71.4 ± 0.2). Analysis of ilmenite yielded Magnesium (0.19; 0.183 ± 0.008), Aluminum (none given; 0.04 ± 0.02), Titanium (27.4, 28.1 ± 0.1), Chromium (none given; 0.04 ± 0.01), Manganese (3.69; 3.73 ± 0.03), Iron (36.18; 35.8 ± 0.1), and Niobium (0.64; 0.68 ± 0.03). The analysis of geologic materials by standards-based quantitative EDS can be further illustrated with chemical analyses of oxides from ocean island basalts representing several locations globally to illustrate the suitability of the method to the goal of evaluating trends in major and minor element concentrations and variability among locations. The shorter collection times of EDS, compared to WDS, allow greater sampling of the populations of oxides present as fine-grained quench products in addition to sampling larger inclusions hosted by silicate minerals.

Theoretical and numerical studies of chaotic mixing

NASA Astrophysics Data System (ADS)

Kim, Ho Jun

Theoretical and numerical studies of chaotic mixing are performed to circumvent the difficulties of efficient mixing, which come from the lack of turbulence in microfluidic devices. In order to carry out efficient and accurate parametric studies and to identify a fully chaotic state, a spectral element algorithm for solution of the incompressible Navier-Stokes and species transport equations is developed. Using Taylor series expansions in time marching, the new algorithm employs an algebraic factorization scheme on multi-dimensional staggered spectral element grids, and extends classical conforming Galerkin formulations to nonconforming spectral elements. Lagrangian particle tracking methods are utilized to study particle dispersion in the mixing device using spectral element and fourth order Runge-Kutta discretizations in space and time, respectively. Comparative studies of five different techniques commonly employed to identify the chaotic strength and mixing efficiency in microfluidic systems are presented to demonstrate the competitive advantages and shortcomings of each method. These are the stirring index based on the box counting method, Poincare sections, finite time Lyapunov exponents, the probability density function of the stretching field, and mixing index inverse, based on the standard deviation of scalar species distribution. Series of numerical simulations are performed by varying the Peclet number (Pe) at fixed kinematic conditions. The mixing length (lm) is characterized as function of the Pe number, and lm ∝ ln(Pe) scaling is demonstrated for fully chaotic cases. Employing the aforementioned techniques, optimum kinematic conditions and the actuation frequency of the stirrer that result in the highest mixing/stirring efficiency are identified in a zeta potential patterned straight micro channel, where a continuous flow is generated by superposition of a steady pressure driven flow and time periodic electroosmotic flow induced by a stream-wise AC electric field. Finally, it is shown that the invariant manifold of hyperbolic periodic point determines the geometry of fast mixing zones in oscillatory flows in two-dimensional cavity.

Determination of alloy content from plume spectral measurements

NASA Technical Reports Server (NTRS)

Madzsar, George C.

1991-01-01

The mathematical derivation for a method to determine the identities and amounts of alloys present in a flame where numerous alloys may be present is described. This method is applicable if the total number of elemental species from all alloys that may be in the flame is greater than or equal to the total number of alloys. Arranging the atomic spectral line emission equations for the elemental species as a series of simultaneous equations enables solution for identity and amount of the alloy present in the flame. This technique is intended for identification and quantification of alloy content in the plume of a rocket engine. Spectroscopic measurements reveal the atomic species entrained in the plume. Identification of eroding alloys may lead to the identification of the eroding component.

Numerical solution of the unsteady diffusion-convection-reaction equation based on improved spectral Galerkin method

NASA Astrophysics Data System (ADS)

Zhong, Jiaqi; Zeng, Cheng; Yuan, Yupeng; Zhang, Yuzhe; Zhang, Ye

2018-04-01

The aim of this paper is to present an explicit numerical algorithm based on improved spectral Galerkin method for solving the unsteady diffusion-convection-reaction equation. The principal characteristics of this approach give the explicit eigenvalues and eigenvectors based on the time-space separation method and boundary condition analysis. With the help of Fourier series and Galerkin truncation, we can obtain the finite-dimensional ordinary differential equations which facilitate the system analysis and controller design. By comparing with the finite element method, the numerical solutions are demonstrated via two examples. It is shown that the proposed method is effective.

Spectral element simulation of precession driven flows in the outer cores of spheroidal planets

NASA Astrophysics Data System (ADS)

Vormann, Jan; Hansen, Ulrich

2015-04-01

A common feature of the planets in the solar system is the precession of the rotation axes, driven by the gravitational influence of another body (e.g. the Earth's moon). In a precessing body, the rotation axis itself is rotating around another axis, describing a cone during one precession period. Similar to the coriolis and centrifugal force appearing from the transformation to a rotating system, the addition of precession adds another term to the Navier-Stokes equation, the so called Poincaré force. The main geophysical motivation in studying precession driven flows comes from their ability to act as magnetohydrodynamic dynamos in planets and moons. Precession may either act as the only driving force or operate together with other forces such as thermochemical convection. One of the challenges in direct numerical simulations of such flows lies in the spheroidal shape of the fluid volume, which should not be neglected since it contributes an additional forcing trough pressure torques. Codes developed for the simulation of flows in spheres mostly use efficient global spectral algorithms that converge fast, but lack geometric flexibility, while local methods are usable in more complex shapes, but often lack high accuracy. We therefore adapted the spectral element code Nek5000, developed at Argonne National Laboratory, to the problem. The spectral element method is capable of solving for the flow in arbitrary geometries while still offering spectral convergence. We present first results for the simulation of a purely hydrodynamic, precession-driven flow in a spheroid with no-slip boundaries and an inner core. The driving by the Poincaré force is in a range where theoretical work predicts multiple solutions for a laminar flow. Our simulations indicate a transition to turbulent flows for Ekman numbers of 10-6 and lower.

Mineral content analysis of root canal dentin using laser-induced breakdown spectroscopy

PubMed Central

2018-01-01

Objectives This study aimed to introduce the use of laser-induced breakdown spectroscopy (LIBS) for evaluation of the mineral content of root canal dentin, and to assess whether a correlation exists between LIBS and scanning electron microscopy/energy dispersive spectroscopy (SEM/EDS) methods by comparing the effects of irrigation solutions on the mineral content change of root canal dentin. Materials and Methods Forty teeth with a single root canal were decoronated and longitudinally sectioned to expose the canals. The root halves were divided into 4 groups (n = 10) according to the solution applied: group NaOCl, 5.25% sodium hypochlorite (NaOCl) for 1 hour; group EDTA, 17% ethylenediaminetetraacetic acid (EDTA) for 2 minutes; group NaOCl+EDTA, 5.25% NaOCl for 1 hour and 17% EDTA for 2 minutes; a control group. Each root half belonging to the same root was evaluated for mineral content with either LIBS or SEM/EDS methods. The data were analyzed statistically. Results In groups NaOCl and NaOCl+EDTA, the calcium (Ca)/phosphorus (P) ratio decreased while the sodium (Na) level increased compared with the other groups (p < 0.05). The magnesium (Mg) level changes were not significant among the groups. A significant positive correlation was found between the results of LIBS and SEM/EDS analyses (r = 0.84, p < 0.001). Conclusions Treatment with NaOCl for 1 hour altered the mineral content of dentin, while EDTA application for 2 minutes had no effect on the elemental composition. The LIBS method proved to be reliable while providing data for the elemental composition of root canal dentin. PMID:29487841

Long-time stability effects of quadrature and artificial viscosity on nodal discontinuous Galerkin methods for gas dynamics

NASA Astrophysics Data System (ADS)

Durant, Bradford; Hackl, Jason; Balachandar, Sivaramakrishnan

2017-11-01

Nodal discontinuous Galerkin schemes present an attractive approach to robust high-order solution of the equations of fluid mechanics, but remain accompanied by subtle challenges in their consistent stabilization. The effect of quadrature choices (full mass matrix vs spectral elements), over-integration to manage aliasing errors, and explicit artificial viscosity on the numerical solution of a steady homentropic vortex are assessed over a wide range of resolutions and polynomial orders using quadrilateral elements. In both stagnant and advected vortices in periodic and non-periodic domains the need arises for explicit stabilization beyond the numerical surface fluxes of discontinuous Galerkin spectral elements. Artificial viscosity via the entropy viscosity method is assessed as a stabilizing mechanism. It is shown that the regularity of the artificial viscosity field is essential to its use for long-time stabilization of small-scale features in nodal discontinuous Galerkin solutions of the Euler equations of gas dynamics. Supported by the Department of Energy Predictive Science Academic Alliance Program Contract DE-NA0002378.

A numerical spectral approach to solve the dislocation density transport equation

NASA Astrophysics Data System (ADS)

Djaka, K. S.; Taupin, V.; Berbenni, S.; Fressengeas, C.

2015-09-01

A numerical spectral approach is developed to solve in a fast, stable and accurate fashion, the quasi-linear hyperbolic transport equation governing the spatio-temporal evolution of the dislocation density tensor in the mechanics of dislocation fields. The approach relies on using the Fast Fourier Transform algorithm. Low-pass spectral filters are employed to control both the high frequency Gibbs oscillations inherent to the Fourier method and the fast-growing numerical instabilities resulting from the hyperbolic nature of the transport equation. The numerical scheme is validated by comparison with an exact solution in the 1D case corresponding to dislocation dipole annihilation. The expansion and annihilation of dislocation loops in 2D and 3D settings are also produced and compared with finite element approximations. The spectral solutions are shown to be stable, more accurate for low Courant numbers and much less computation time-consuming than the finite element technique based on an explicit Galerkin-least squares scheme.

Assessment of dental plaque by optoelectronic methods

NASA Astrophysics Data System (ADS)

Negrutiu, Meda-Lavinia; Sinescu, Cosmin; Bortun, Cristina Maria; Levai, Mihaela-Codrina; Topala, Florin Ionel; Crǎciunescu, Emanuela Lidia; Cojocariu, Andreea Codruta; Duma, Virgil Florin; Podoleanu, Adrian Gh.

2016-03-01

The formation of dental biofilm follows specific mechanisms of initial colonization on the surface, microcolony formation, development of organized three dimensional community structures, and detachment from the surface. The structure of the plaque biofilm might restrict the penetration of antimicrobial agents, while bacteria on a surface grow slowly and display a novel phenotype; the consequence of the latter is a reduced sensitivity to inhibitors. The aim of this study was to evaluate with different optoelectronic methods the morphological characteristics of the dental biofilm. The study was performed on samples from 25 patients aged between 18 and 35 years. The methods used in this study were Spectral Domain Optical Coherence Tomography (SD-OCT) working at 870 nm for in vivo evaluations and Scanning Electron Microscopy (SEM) for validations. For each patient a sample of dental biofilm was obtained directly from the vestibular surface of the teeth's. SD-OCT produced C- and B-scans that were used to generate three dimensional (3D) reconstructions of the sample. The results were compared with SEM evaluations. The biofilm network was dramatically destroyed after the professional dental cleaning. OCT noninvasive methods can act as a valuable tool for the 3D characterization of dental biofilms.

Coupling Hydrodynamic and Wave Propagation Codes for Modeling of Seismic Waves recorded at the SPE Test.

NASA Astrophysics Data System (ADS)

Larmat, C. S.; Rougier, E.; Delorey, A.; Steedman, D. W.; Bradley, C. R.

2016-12-01

The goal of the Source Physics Experiment (SPE) is to bring empirical and theoretical advances to the problem of detection and identification of underground nuclear explosions. For this, the SPE program includes a strong modeling effort based on first principles calculations with the challenge to capture both the source and near-source processes and those taking place later in time as seismic waves propagate within complex 3D geologic environments. In this paper, we report on results of modeling that uses hydrodynamic simulation codes (Abaqus and CASH) coupled with a 3D full waveform propagation code, SPECFEM3D. For modeling the near source region, we employ a fully-coupled Euler-Lagrange (CEL) modeling capability with a new continuum-based visco-plastic fracture model for simulation of damage processes, called AZ_Frac. These capabilities produce high-fidelity models of various factors believed to be key in the generation of seismic waves: the explosion dynamics, a weak grout-filled borehole, the surrounding jointed rock, and damage creation and deformations happening around the source and the free surface. SPECFEM3D, based on the Spectral Element Method (SEM) is a direct numerical method for full wave modeling with mathematical accuracy. The coupling interface consists of a series of grid points of the SEM mesh situated inside of the hydrodynamic code's domain. Displacement time series at these points are computed using output data from CASH or Abaqus (by interpolation if needed) and fed into the time marching scheme of SPECFEM3D. We will present validation tests with the Sharpe's model and comparisons of waveforms modeled with Rg waves (2-8Hz) that were recorded up to 2 km for SPE. We especially show effects of the local topography, velocity structure and spallation. Our models predict smaller amplitudes of Rg waves for the first five SPE shots compared to pure elastic models such as Denny &Johnson (1991).

Advances in the U.S. Navy Non-hydrostatic Unified Model of the Atmosphere (NUMA): LES as a Stabilization Methodology for High-Order Spectral Elements in the Simulation of Deep Convection

NASA Astrophysics Data System (ADS)

Marras, Simone; Giraldo, Frank

2015-04-01

The prediction of extreme weather sufficiently ahead of its occurrence impacts society as a whole and coastal communities specifically (e.g. Hurricane Sandy that impacted the eastern seaboard of the U.S. in the fall of 2012). With the final goal of solving hurricanes at very high resolution and numerical accuracy, we have been developing the Non-hydrostatic Unified Model of the Atmosphere (NUMA) to solve the Euler and Navier-Stokes equations by arbitrary high-order element-based Galerkin methods on massively parallel computers. NUMA is a unified model with respect to the following criteria: (a) it is based on unified numerics in that element-based Galerkin methods allow the user to choose between continuous (spectral elements, CG) or discontinuous Galerkin (DG) methods and from a large spectrum of time integrators, (b) it is unified across scales in that it can solve flow in limited-area mode (flow in a box) or in global mode (flow on the sphere). NUMA is the dynamical core that powers the U.S. Naval Research Laboratory's next-generation global weather prediction system NEPTUNE (Navy's Environmental Prediction sysTem Utilizing the NUMA corE). Because the solution of the Euler equations by high order methods is prone to instabilities that must be damped in some way, we approach the problem of stabilization via an adaptive Large Eddy Simulation (LES) scheme meant to treat such instabilities by modeling the sub-grid scale features of the flow. The novelty of our effort lies in the extension to high order spectral elements for low Mach number stratified flows of a method that was originally designed for low order, adaptive finite elements in the high Mach number regime [1]. The Euler equations are regularized by means of a dynamically adaptive stress tensor that is proportional to the residual of the unperturbed equations. Its effect is close to none where the solution is sufficiently smooth, whereas it increases elsewhere, with a direct contribution to the stabilization of the otherwise oscillatory solution. As a first step toward the Large Eddy Simulation of a hurricane, we verify the model via a high-order and high resolution idealized simulation of deep convection on the sphere. References [1] M. Nazarov and J. Hoffman (2013) Residual-based artificial viscosity for simulation of turbulent compressible flow using adaptive finite element methods Int. J. Numer. Methods Fluids, 71:339-357

New solar irradiances for use in space research

NASA Astrophysics Data System (ADS)

Tobiska, W.; Bouwer, D.; Jones, A.

Space environment research applications require solar irradiances in a variety of time scales and spectral formats We describe the development of research grade modeled solar irradiances using four models and systems that are also used for space weather operations The four models systems include SOLAR2000 S2K SOLARFLARE SFLR APEX and IDAR which are used by Space Environment Technologies SET to provide solar irradiances from the soft X-rays through the visible spectrum SFLR uses the GOES 0 1--0 8 nm X-rays in combination with a Mewe model subroutine to provide 0 1--30 0 nm irradiances at 0 1 nm spectral resolution at 1 minute time resolution and in a 6-hour XUV--EUV spectral solar flare evolution forecast with a 7 minute latency and a 2 minute cadence These irradiances have been calibrated with the SORCE XPS observations and we report on the inclusion of these irradiances in the S2K model There are additional developments with S2K that we discuss particularly the method by which S2K is emerging as a hybrid model empirical plus physics-based and real-time data integration platform Numerous new solar indices have been recently developed for the operations community and we describe their inclusion in S2K The APEX system is a real-time data retrieval system developed under contract to the University of Southern California Space Sciences Center SSC to provide SOHO SEM data processing and distribution SSC provides the updated SEM data to the research community and SET provides the operational data to the space operations community We

A spectral element method with adaptive segmentation for accurately simulating extracellular electrical stimulation of neurons.

PubMed

Eiber, Calvin D; Dokos, Socrates; Lovell, Nigel H; Suaning, Gregg J

2017-05-01

The capacity to quickly and accurately simulate extracellular stimulation of neurons is essential to the design of next-generation neural prostheses. Existing platforms for simulating neurons are largely based on finite-difference techniques; due to the complex geometries involved, the more powerful spectral or differential quadrature techniques cannot be applied directly. This paper presents a mathematical basis for the application of a spectral element method to the problem of simulating the extracellular stimulation of retinal neurons, which is readily extensible to neural fibers of any kind. The activating function formalism is extended to arbitrary neuron geometries, and a segmentation method to guarantee an appropriate choice of collocation points is presented. Differential quadrature may then be applied to efficiently solve the resulting cable equations. The capacity for this model to simulate action potentials propagating through branching structures and to predict minimum extracellular stimulation thresholds for individual neurons is demonstrated. The presented model is validated against published values for extracellular stimulation threshold and conduction velocity for realistic physiological parameter values. This model suggests that convoluted axon geometries are more readily activated by extracellular stimulation than linear axon geometries, which may have ramifications for the design of neural prostheses.

Rotor damage detection by using piezoelectric impedance

NASA Astrophysics Data System (ADS)

Qin, Y.; Tao, Y.; Mao, Y. F.

2016-04-01

Rotor is a core component of rotary machinery. Once the rotor has the damage, it may lead to a major accident. Thus the quantitative rotor damage detection method based on piezoelectric impedance is studied in this paper. With the governing equation of piezoelectric transducer (PZT) in a cylindrical coordinate, the displacement along the radius direction is derived. The charge of PZT is calculated by the electric displacement. Then, by the use of the obtained displacement and charge, an analytic piezoelectric impedance model of the rotor is built. Given the circular boundary condition of a rotor, annular elements are used as the analyzed objects and spectral element method is used to set up the damage detection model. The Electro-Mechanical (E/M) coupled impedance expression of an undamaged rotor is deduced with the application of a low-cost impedance test circuit. A Taylor expansion method is used to obtain the approximate E/M coupled impedance expression for the damaged rotor. After obtaining the difference between the undamaged and damaged rotor impedance, a rotor damage detection method is proposed. This method can directly calculate the change of bending stiffness of the structural elements, it follows that the rotor damage can be effectively detected. Finally, a preset damage configuration is used for the numerical simulation. The result shows that the quantitative damage detection algorithm based on spectral element method and piezoelectric impedance proposed in this paper can identify the location and the severity of the damaged rotor accurately.

Characterisation methods for the hyperspectral sensor HySpex at DLR's calibration home base

NASA Astrophysics Data System (ADS)

Baumgartner, Andreas; Gege, Peter; Köhler, Claas; Lenhard, Karim; Schwarzmaier, Thomas

2012-09-01

The German Aerospace Center's (DLR) Remote Sensing Technology Institute (IMF) operates a laboratory for the characterisation of imaging spectrometers. Originally designed as Calibration Home Base (CHB) for the imaging spectrometer APEX, the laboratory can be used to characterise nearly every airborne hyperspectral system. Characterisation methods will be demonstrated exemplarily with HySpex, an airborne imaging spectrometer system from Norsk Elektro Optikks A/S (NEO). Consisting of two separate devices (VNIR-1600 and SWIR-320me) the setup covers the spectral range from 400 nm to 2500 nm. Both airborne sensors have been characterised at NEO. This includes measurement of spectral and spatial resolution and misregistration, polarisation sensitivity, signal to noise ratios and the radiometric response. The same parameters have been examined at the CHB and were used to validate the NEO measurements. Additionally, the line spread functions (LSF) in across and along track direction and the spectral response functions (SRF) for certain detector pixels were measured. The high degree of lab automation allows the determination of the SRFs and LSFs for a large amount of sampling points. Despite this, the measurement of these functions for every detector element would be too time-consuming as typical detectors have 105 elements. But with enough sampling points it is possible to interpolate the attributes of the remaining pixels. The knowledge of these properties for every detector element allows the quantification of spectral and spatial misregistration (smile and keystone) and a better calibration of airborne data. Further laboratory measurements are used to validate the models for the spectral and spatial properties of the imaging spectrometers. Compared to the future German spaceborne hyperspectral Imager EnMAP, the HySpex sensors have the same or higher spectral and spatial resolution. Therefore, airborne data will be used to prepare for and validate the spaceborne system's data.

DNA Binding, Cleavage and Antibacterial Activity of Mononuclear Cu(II), Ni(II) and Co(II) Complexes Derived from Novel Benzothiazole Schiff Bases.

PubMed

Vamsikrishna, Narendrula; Kumar, Marri Pradeep; Tejaswi, Somapangu; Rambabu, Aveli; Shivaraj

2016-07-01

A series of novel bivalent metal complexes M(L1)2 and M(L2)2 where M = Cu(II), Ni(II), Co(II) and L1 = 2-((benzo [d] thiazol-6-ylimino)methyl)-4-bromophenol [BTEMBP], L2 = 1-((benzo [d] thiazol-6-ylimino)methyl) naphthalen-2-ol [BTEMNAPP] were synthesized. All the compounds have been characterized by elemental analysis, SEM, Mass, (1)H NMR, (13)C NMR, UV-Vis, IR, ESR, spectral data and magnetic susceptibility measurements. Based on the analytical and spectral data four-coordinated square planar geometry is assigned to all the complexes. DNA binding properties of these complexes have been investigated by electronic absorption spectroscopy, fluorescence and viscosity measurements. It is observed that these binary complexes strongly bind to calf thymus DNA by an intercalation mode. DNA cleavage efficacy of these complexes was tested in presence of H2O2 and UV light by gel electrophoresis and found that all the complexes showed better nuclease activity. Finally the compounds were screened for antibacterial activity against few pathogens and found that the complexes have potent biocidal activity than their free ligands.

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Regnier, D.; Dubray, N.; Verriere, M.

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this study, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different typesmore » of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank–Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. Finally, we emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).« less

FELIX-2.0: New version of the finite element solver for the time dependent generator coordinate method with the Gaussian overlap approximation

DOE PAGES

Regnier, D.; Dubray, N.; Verriere, M.; ...

2017-12-20

The time-dependent generator coordinate method (TDGCM) is a powerful method to study the large amplitude collective motion of quantum many-body systems such as atomic nuclei. Under the Gaussian Overlap Approximation (GOA), the TDGCM leads to a local, time-dependent Schrödinger equation in a multi-dimensional collective space. In this study, we present the version 2.0 of the code FELIX that solves the collective Schrödinger equation in a finite element basis. This new version features: (i) the ability to solve a generalized TDGCM+GOA equation with a metric term in the collective Hamiltonian, (ii) support for new kinds of finite elements and different typesmore » of quadrature to compute the discretized Hamiltonian and overlap matrices, (iii) the possibility to leverage the spectral element scheme, (iv) an explicit Krylov approximation of the time propagator for time integration instead of the implicit Crank–Nicolson method implemented in the first version, (v) an entirely redesigned workflow. We benchmark this release on an analytic problem as well as on realistic two-dimensional calculations of the low-energy fission of 240Pu and 256Fm. Low to moderate numerical precision calculations are most efficiently performed with simplex elements with a degree 2 polynomial basis. Higher precision calculations should instead use the spectral element method with a degree 4 polynomial basis. Finally, we emphasize that in a realistic calculation of fission mass distributions of 240Pu, FELIX-2.0 is about 20 times faster than its previous release (within a numerical precision of a few percents).« less

Computation of Engine Noise Propagation and Scattering Off an Aircraft

NASA Technical Reports Server (NTRS)

Xu, J.; Stanescu, D.; Hussaini, M. Y.; Farassat, F.

2003-01-01

The paper presents a comparison of experimental noise data measured in flight on a two-engine business jet aircraft with Kulite microphones placed on the suction surface of the wing with computational results. Both a time-domain discontinuous Galerkin spectral method and a frequency-domain spectral element method are used to simulate the radiation of the dominant spinning mode from the engine and its reflection and scattering by the fuselage and the wing. Both methods are implemented in computer codes that use the distributed memory model to make use of large parallel architectures. The results show that trends of the noise field are well predicted by both methods.

Structure-preserving spectral element method in attenuating seismic wave modeling

NASA Astrophysics Data System (ADS)

Cai, Wenjun; Zhang, Huai

2016-04-01

This work describes the extension of the conformal symplectic method to solve the damped acoustic wave equation and the elastic wave equations in the framework of the spectral element method. The conformal symplectic method is a variation of conventional symplectic methods to treat non-conservative time evolution problems which has superior behaviors in long-time stability and dissipation preservation. To construct the conformal symplectic method, we first reformulate the damped acoustic wave equation and the elastic wave equations in their equivalent conformal multi-symplectic structures, which naturally reveal the intrinsic properties of the original systems, especially, the dissipation laws. We thereafter separate each structures into a conservative Hamiltonian system and a purely dissipative ordinary differential equation system. Based on the splitting methodology, we solve the two subsystems respectively. The dissipative one is cheaply solved by its analytic solution. While for the conservative system, we combine a fourth-order symplectic Nyström method in time and the spectral element method in space to cover the circumstances in realistic geological structures involving complex free-surface topography. The Strang composition method is adopted thereby to concatenate the corresponding two parts of solutions and generate the completed numerical scheme, which is conformal symplectic and can therefore guarantee the numerical stability and dissipation preservation after a large time modeling. Additionally, a relative larger Courant number than that of the traditional Newmark scheme is found in the numerical experiments in conjunction with a spatial sampling of approximately 5 points per wavelength. A benchmark test for the damped acoustic wave equation validates the effectiveness of our proposed method in precisely capturing dissipation rate. The classical Lamb problem is used to demonstrate the ability of modeling Rayleigh-wave propagation. More comprehensive numerical experiments are presented to investigate the long-time simulation, low dispersion and energy conservation properties of the conformal symplectic method in both the attenuating homogeneous and heterogeneous mediums.

[Bioinorganic chemical composition of the lens and methods of its investigation].

PubMed

Avetisov, S E; Novikov, I A; Pakhomova, N A; Motalov, V G

2018-01-01

Bioinorganic chemical composition of the lens of human and experimental animals (cows, dogs, rats, rabbits) have been analyzed in various studies. In most cases, the studies employed different methods to determine the gross (total) composition of chemical elements and their concentrations in the examined samples. Less frequently, they included an assessment of the distribution of chemical elements in the lens and correlation of their concentration with its morphological changes. Chemical elements from all groups (series) of the periodic classification system were discovered in the lens substance. Despite similar investigation methods, different authors obtained contradicting results on the chemical composition of the lens. This article presents data suggesting possible correlation between inorganic chemical elements in the lens substance with the development and formation of lenticular opacities. All currently employed methods are known to only analyze limited number of select chemical elements in the tissues and do not consider the whole range of elements that can be analyzed with existing technology; furthermore, the majority of studies are conducted on the animal model lens. Therefore, it is feasible to continue the development of the chemical microanalysis method by increasing the sensitivity of Scanning Electron Microscopy with Energy Dispersive Spectroscopy (SEM/EDS) with the purpose of assessing the gross chemical composition and distribution of the elements in the lens substance, as well as revealing possible correlation between element concentration and morphological changes in the lens.

A practical method to fabricate gold substrates for surface-enhanced Raman spectroscopy.

PubMed

Tantra, Ratna; Brown, Richard J C; Milton, Martin J T; Gohil, Dipak

2008-09-01

We describe a practical method of fabricating surface-enhanced Raman spectroscopy (SERS) substrates based on dip-coating poly-L-lysine derivatized microscope slides in a gold colloidal suspension. The use of only commercially available starting materials in this preparation is particularly advantageous, aimed at both reducing time and the inconsistency associated with surface modification of substrates. The success of colloid deposition has been demonstrated by scanning electron microscopy (SEM) and the corresponding SERS response (giving performance comparable to the corresponding traditional colloidal SERS substrates). Reproducibility was evaluated by conducting replicate measurements across six different locations on the substrate and assessing the extent of the variability (standard deviation values of spectral parameters: peak width and height), in response to either Rhodamine 6G or Isoniazid. Of particular interest is the observation of how some peaks in a given spectrum are more susceptible to data variability than others. For example, in a Rhodamine 6G SERS spectrum, spectral parameters of the peak at 775 cm(-1) were shown to have a relative standard deviation (RSD) % of <10%, while the peak at 1573 cm(-1) has a RSD of >or=10%. This observation is best explained by taking into account spectral variations that arise from the effect of a chemisorption process and the local nature of chemical enhancement mechanisms, which affects the enhancement of some spectral peaks but not others (analogous to resonant Raman phenomenon).

Lithospheric layering in the North American craton revealed by including Short Period Constraints in Full Waveform Tomography

NASA Astrophysics Data System (ADS)

Roy, C.; Calo, M.; Bodin, T.; Romanowicz, B. A.

2017-12-01

Recent receiver function studies of the North American craton suggest the presence of significant layering within the cratonic lithosphere, with significant lateral variations in the depth of the velocity discontinuities. These structural boundaries have been confirmed recently using a transdimensional Markov Chain Monte Carlo approach (TMCMC), inverting surface wave dispersion data and converted phases simultaneously (Calò et al., 2016; Roy and Romanowicz 2017). The lateral resolution of upper mantle structure can be improved with a high density of broadband seismic stations, or with a sparse network using full waveform inversion based on numerical wavefield computation methods such as the Spectral Element Method (SEM). However, inverting for discontinuities with strong topography such as MLDS's or LAB, presents challenges in an inversion framework, both computationally, due to the short periods required, and from the point of view of stability of the inversion. To overcome these limitations, and to improve resolution of layering in the upper mantle, we are developing a methodology that combines full waveform inversion tomography and information provided by short period seismic observables. We have extended the 30 1D radially anisotropic shear velocity profiles of Calò et al. 2016 to several other stations, for which we used a recent shear velocity model (Clouzet et al., 2017) as constraint in the modeling. These 1D profiles, including both isotropic and anisotropic discontinuities in the upper mantle (above 300 km depth) are then used to build a 3D starting model for the full waveform tomographic inversion. This model is built after 1) homogenization of the layered 1D models and 2) interpolation between the 1D smooth profiles and the model of Clouzet et al. 2017, resulting in a smooth 3D starting model. Waveforms used in the inversion are filtered at periods longer than 30s. We use the SEM code "RegSEM" for forward computations and a quasi-Newton inversion approach in which kernels are computed using normal mode perturbation theory. The resulting volumetric velocity perturbations around the homogenized starting model are then added to the discontinuous 3D starting model by dehomogenizing the model. We present here the first results of such an approach for refining structure in the North American continent.

Actuator line simulations of a Joukowsky and Tjæreborg rotor using spectral element and finite volume methods

NASA Astrophysics Data System (ADS)

Kleusberg, E.; Sarmast, S.; Schlatter, P.; Ivanell, S.; Henningson, D. S.

2016-09-01

The wake structure behind a wind turbine, generated by the spectral element code Nek5000, is compared with that from the finite volume code EllipSys3D. The wind turbine blades are modeled using the actuator line method. We conduct the comparison on two different setups. One is based on an idealized rotor approximation with constant circulation imposed along the blades corresponding to Glauert's optimal operating condition, and the other is the Tjffireborg wind turbine. The focus lies on analyzing the differences in the wake structures entailed by the different codes and corresponding setups. The comparisons show good agreement for the defining parameters of the wake such as the wake expansion, helix pitch and circulation of the helical vortices. Differences can be related to the lower numerical dissipation in Nek5000 and to the domain differences at the rotor center. At comparable resolution Nek5000 yields more accurate results. It is observed that in the spectral element method the helical vortices, both at the tip and root of the actuator lines, retain their initial swirl velocity distribution for a longer distance in the near wake. This results in a lower vortex core growth and larger maximum vorticity along the wake. Additionally, it is observed that the break down process of the spiral tip vortices is significantly different between the two methods, with vortex merging occurring immediately after the onset of instability in the finite volume code, while Nek5000 simulations exhibit a 2-3 radii period of vortex pairing before merging.

Synthesis, characterization and physicochemical studies of new chelating resin 1, 8-(3, 6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes

NASA Astrophysics Data System (ADS)

Khalil, Tarek E.; Elbadawy, Hemmat A.; El-Dissouky, Ali

2018-02-01

A new chelating resin, 1,8-(3,6-dithiaoctyl)-4-polyvinylbenzenesulphonate (dpvbs) has been synthesized by coupling Amberlite XAD-16 with (2,2‧-ethylenedithio) diethanol using pyridine/CH2Cl2 mixture as a solvent. The chelating resin and its metallopolymer Cu(II), Ni(II), Co(II) and Fe(III) complexes have been synthesized and characterized by EDS, SEM, XPS, elemental analysis, spectral (IR, UV/Vis, EPR). The thermal analysis of the resin and its metallopolymer complexes indicated an endothermic spontaneous sorption mechanism with the liberation of water of hydration of the metal ions and that adsorbed by the free resin. At the solid liquid interface, the degrees of freedom increased during the sorption of the metal ions onto the resin. The surface area of polymer support and its metallopolymer complexes are estimated by (BJH) method. The batch equilibrium method was used for studying the metal sorption and selectivity at different pH values and different contact times at room temperature. ICP-AES was used to estimate the metal capacity of the resin for sorption of Cu(II), Ni(II), Co(II) and Fe(III) from aqueous solutions utilizing the batch equilibrium method. The sorption tendency of the metal ions by the resin was found to be: Cu(II) > Fe(III) > Co(II) > Ni(II). Adsorption kinetics was found to be fit the pseudo-second order model.

The effect of immersion time to low carbon steel hardness and microstructure with hot dip galvanizing coating method

NASA Astrophysics Data System (ADS)

Hakim, A. A.; Rajagukguk, T. O.; Sumardi, S.

2018-01-01

Along with developing necessities of metal materials, these rise demands of quality improvements and material protections especially the mechanical properties of the material. This research used hot dip galvanizing coating method. The objectives of this research were to find out Rockwell hardness (HRb), layer thickness, micro structure and observation with Scanning Electron Microscope (SEM) from result of coating by using Hot Dip Galvanizing coating method with immersion time of 3, 6, 9, and 12 minutes at 460°C. The result shows that Highest Rockwell hardness test (HRb) was at 3 minutes immersion time with 76.012 HRb. Highest thickness result was 217.3 μm at 12 minutes immersion. Microstructure test result showed that coating was formed at eta, zeta, delta and gamma phases, while Scanning Electron Microscope (SEM) showed Fe, Zn, Mn, Si and S elements at the specimens after coating.

Apparatus and method for the spectrochemical analysis of liquids using the laser spark

DOEpatents

Cremers, David A.; Radziemski, Leon J.; Loree, Thomas R.

1990-01-01

A method and apparatus for the qualitative and quantitative spectroscopic investigation of elements present in a liquid sample using the laser spark. A series of temporally closely spaced spark pairs is induced in the liquid sample utilizing pulsed electromagnetic radiation from a pair of lasers. The light pulses are not significantly absorbed by the sample so that the sparks occur inside of the liquid. The emitted light from the breakdown events is spectrally and temporally resolved, and the time period between the two laser pulses in each spark pair is adjusted to maximize the signal-to-noise ratio of the emitted signals. In comparison with the single pulse technique, a substantial reduction in the limits of detectability for many elements has been demonstrated. Narrowing of spectral features results in improved discrimination against interfering species.

Apparatus and method for the spectrochemical analysis of liquids using the laser spark

DOEpatents

Cremers, D.A.; Radziemski, L.J.; Loree, T.R.

1984-05-01

A method and apparatus are disclosed for the qualitative and quantitative spectroscopic investigation of elements present in a liquid sample using the laser spark. A series of temporally closely spaced spark pairs is induced in the liquid sample utilizing pulsed electromagnetic radiation from a pair of lasers. The light pulses are not significantly absorbed by the sample so that the sparks occur inside of the liquid. The emitted light from the breakdown events is spectrally and temporally resolved, and the time period between the two laser pulses in each spark pair is adjusted to maximize the signal-to-noise ratio of the emitted signals. In comparison with the single pulse technique, a substantial reduction in the limits of detectability for many elements has been demonstrated. Narrowing of spectral features results in improved discrimination against interfering species.

Parallel Semi-Implicit Spectral Element Atmospheric Model

NASA Astrophysics Data System (ADS)

Fournier, A.; Thomas, S.; Loft, R.

2001-05-01

The shallow-water equations (SWE) have long been used to test atmospheric-modeling numerical methods. The SWE contain essential wave-propagation and nonlinear effects of more complete models. We present a semi-implicit (SI) improvement of the Spectral Element Atmospheric Model to solve the SWE (SEAM, Taylor et al. 1997, Fournier et al. 2000, Thomas & Loft 2000). SE methods are h-p finite element methods combining the geometric flexibility of size-h finite elements with the accuracy of degree-p spectral methods. Our work suggests that exceptional parallel-computation performance is achievable by a General-Circulation-Model (GCM) dynamical core, even at modest climate-simulation resolutions (>1o). The code derivation involves weak variational formulation of the SWE, Gauss(-Lobatto) quadrature over the collocation points, and Legendre cardinal interpolators. Appropriate weak variation yields a symmetric positive-definite Helmholtz operator. To meet the Ladyzhenskaya-Babuska-Brezzi inf-sup condition and avoid spurious modes, we use a staggered grid. The SI scheme combines leapfrog and Crank-Nicholson schemes for the nonlinear and linear terms respectively. The localization of operations to elements ideally fits the method to cache-based microprocessor computer architectures --derivatives are computed as collections of small (8x8), naturally cache-blocked matrix-vector products. SEAM also has desirable boundary-exchange communication, like finite-difference models. Timings on on the IBM SP and Compaq ES40 supercomputers indicate that the SI code (20-min timestep) requires 1/3 the CPU time of the explicit code (2-min timestep) for T42 resolutions. Both codes scale nearly linearly out to 400 processors. We achieved single-processor performance up to 30% of peak for both codes on the 375-MHz IBM Power-3 processors. Fast computation and linear scaling lead to a useful climate-simulation dycore only if enough model time is computed per unit wall-clock time. An efficient SI solver is essential to substantially increase this rate. Parallel preconditioning for an iterative conjugate-gradient elliptic solver is described. We are building a GCM dycore capable of 200 GF% lOPS sustained performance on clustered RISC/cache architectures using hybrid MPI/OpenMP programming.

Spectral characteristics of tramadol in different solvents and β-cyclodextrin

NASA Astrophysics Data System (ADS)

Anton Smith, A.; Manavalan, R.; Kannan, K.; Rajendiran, N.

2009-10-01

Effect of solvents and β-cyclodextrin on the absorption and fluorescence spectra of tramadol drug has been investigated and compared with anisole. The solid inclusion complex of tramadol with β-CD is investigated by FT-IR, 1H NMR, scanning electron microscope (SEM), DSC and semiempirical methods. The thermodynamic parameter (Δ G) of inclusion process is determined. A solvent study shows (i) the spectral behaviour of both tramadol and anisole molecules is similar to each other and (ii) the cyclohexanol group in tramadol is not effectively conjugated with anisole group. However, in β-CD, due to space restriction of the CD cavity, a weak interaction is present between the above groups in tramadol. β-Cyclodextrin studies show that tramadol forms 1:2 inclusion complex with β-CD. A mechanism is proposed for the inclusion process.

Application of distance correction to ChemCam laser-induced breakdown spectroscopy measurements

DOE PAGES

Mezzacappa, A.; Melikechi, N.; Cousin, A.; ...

2016-04-04

Laser-induced breakdown spectroscopy (LIBS) provides chemical information from atomic, ionic, and molecular emissions from which geochemical composition can be deciphered. Analysis of LIBS spectra in cases where targets are observed at different distances, as is the case for the ChemCam instrument on the Mars rover Curiosity, which performs analyses at distances between 2 and 7.4 m is not a simple task. Previously, we showed that spectral distance correction based on a proxy spectroscopic standard created from first-shot dust observations on Mars targets ameliorates the distance bias in multivariate-based elemental-composition predictions of laboratory data. In this work, we correct an expandedmore » set of neutral and ionic spectral emissions for distance bias in the ChemCam data set. By using and testing different selection criteria to generate multiple proxy standards, we find a correction that minimizes the difference in spectral intensity measured at two different distances and increases spectral reproducibility. When the quantitative performance of distance correction is assessed, there is improvement for SiO 2, Al 2O 3, CaO, FeOT, Na 2O, K 2O, that is, for most of the major rock forming elements, and for the total major-element weight percent predicted. But, for MgO the method does not provide improvements while for TiO 2, it yields inconsistent results. Additionally, we observed that many emission lines do not behave consistently with distance, evidenced from laboratory analogue measurements and ChemCam data. This limits the effectiveness of the method.« less

[Study on physical deviation factors on laser induced breakdown spectroscopy measurement].

PubMed

Wan, Xiong; Wang, Peng; Wang, Qi; Zhang, Qing; Zhang, Zhi-Min; Zhang, Hua-Ming

2013-10-01

In order to eliminate the deviation between the measured LIBS spectral line and the standard LIBS spectral line, and improve the accuracy of elements measurement, a research of physical deviation factors in laser induced breakdown spectroscopy technology was proposed. Under the same experimental conditions, the relationship of ablated hole effect and spectral wavelength was tested, the Stark broadening data of Mg plasma laser induced breakdown spectroscopy with sampling time-delay from 1.00 to 3.00 micros was also studied, thus the physical deviation influences such as ablated hole effect and Stark broadening could be obtained while collecting the spectrum. The results and the method of the research and analysis can also be applied to other laser induced breakdown spectroscopy experiment system, which is of great significance to improve the accuracy of LIBS elements measuring and is also important to the research on the optimum sampling time-delay of LIBS.

Synthesis, characterization and cytotoxicity of rare earth metal ion complexes of N,N‧-bis-(2-thiophenecarboxaldimine)-3,3‧-diaminobenzidene, Schiff base ligand

NASA Astrophysics Data System (ADS)

Shakir, Mohammad; Abbasi, Ambreen; Faraz, Mohammad; Sherwani, Asif

2015-12-01

Lanthanide complexes of La3+, Pr3+, Nd3+, Gd3+, Er3+ of general formula [Ln2 L(H2O)4(NO3)4](NO3)2·2H2O have been synthesized from Schiff base, N,N‧-bis-(2-thiophenecarboxaldimine)-3,3‧-diaminobenzidene. The complexes were characterized by elemental analysis, molar conductance, UV-Vis, fluorescence, FT-IR,1H NMR, mass spectroscopy, EDX, SEM and thermal analysis. FT-IR spectral data suggested that ligand coordinate with metal ions through azomethine nitrogen and uncondensed amino group. Molar conductance data revealed 1:2 electrolytic nature of complexes. From the analytical data, the stoichiometry of the complexes was found to be 1:2 (ligand:metal). Thephysico-chemical data suggested eight coordination number for Ln(III)Schiffbase complexes. SEM analysis shows morphological changes in the surfaces of complexes as compared to free ligand. Thermal decomposition profiles were consistent with proposed formulations. The anticancer activity of the complexes and theSchiffbase ligand has been studied towards human cervical cancer celllines (HeLa) and human breast cancer cell lines (MCF-7) and it was found that complexes exhibited greater activity than theSchiffbase.

Center for Efficient Exascale Discretizations Software Suite

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kolev, Tzanio; Dobrev, Veselin; Tomov, Vladimir

The CEED Software suite is a collection of generally applicable software tools focusing on the following computational motives: PDE discretizations on unstructured meshes, high-order finite element and spectral element methods and unstructured adaptive mesh refinement. All of this software is being developed as part of CEED, a co-design Center for Efficient Exascale Discretizations, within DOE's Exascale Computing Project (ECP) program.

Simulation of time-dispersion spectral device with sample spectra accumulation

NASA Astrophysics Data System (ADS)

Zhdanov, Arseny; Khansuvarov, Ruslan; Korol, Georgy

2014-09-01

This research is conducted in order to design a spectral device for light sources power spectrum analysis. The spectral device should process radiation from sources, direct contact with radiation of which is either impossible or undesirable. Such sources include jet blast of an aircraft, optical radiation in metallurgy and textile industry. In proposed spectral device optical radiation is guided out of unfavorable environment via a piece of optical fiber with high dispersion. It is necessary for analysis to make samples of analyzed radiation as short pulses. Dispersion properties of such optical fiber cause spectral decomposition of input optical pulses. The faster time of group delay vary the stronger the spectral decomposition effect. This effect allows using optical fiber with high dispersion as a major element of proposed spectral device. Duration of sample must be much shorter than group delay time difference of a dispersive system. In the given frequency range this characteristic has to be linear. The frequency range is 400 … 500 THz for typical optical fiber. Using photonic-crystal fiber (PCF) gives much wider spectral range for analysis. In this paper we propose simulation of single pulse transmission through dispersive system with linear dispersion characteristic and quadratic-detected output responses accumulation. During simulation we propose studying influence of optical fiber dispersion characteristic angle on spectral measurement results. We also consider pulse duration and group delay time difference impact on output pulse shape and duration. Results show the most suitable dispersion characteristic that allow choosing the structure of PCF - major element of time-dispersion spectral analysis method and required number of samples for reliable assessment of measured spectrum.

A Spectral Finite Element Approach to Modeling Soft Solids Excited with High-Frequency Harmonic Loads

PubMed Central

Brigham, John C.; Aquino, Wilkins; Aguilo, Miguel A.; Diamessis, Peter J.

2010-01-01

An approach for efficient and accurate finite element analysis of harmonically excited soft solids using high-order spectral finite elements is presented and evaluated. The Helmholtz-type equations used to model such systems suffer from additional numerical error known as pollution when excitation frequency becomes high relative to stiffness (i.e. high wave number), which is the case, for example, for soft tissues subject to ultrasound excitations. The use of high-order polynomial elements allows for a reduction in this pollution error, but requires additional consideration to counteract Runge's phenomenon and/or poor linear system conditioning, which has led to the use of spectral element approaches. This work examines in detail the computational benefits and practical applicability of high-order spectral elements for such problems. The spectral elements examined are tensor product elements (i.e. quad or brick elements) of high-order Lagrangian polynomials with non-uniformly distributed Gauss-Lobatto-Legendre nodal points. A shear plane wave example is presented to show the dependence of the accuracy and computational expense of high-order elements on wave number. Then, a convergence study for a viscoelastic acoustic-structure interaction finite element model of an actual ultrasound driven vibroacoustic experiment is shown. The number of degrees of freedom required for a given accuracy level was found to consistently decrease with increasing element order. However, the computationally optimal element order was found to strongly depend on the wave number. PMID:21461402

Optimizing a spectral element for modeling PZT-induced Lamb wave propagation in thin plates

NASA Astrophysics Data System (ADS)

Ha, Sungwon; Chang, Fu-Kuo

2010-01-01

Use of surface-mounted piezoelectric actuators to generate acoustic ultrasound has been demonstrated to be a key component of built-in nondestructive detection evaluation (NDE) techniques, which can automatically inspect and interrogate damage in hard-to-access areas in real time without disassembly of the structural parts. However, piezoelectric actuators create complex waves, which propagate through the structure. Having the capability to model piezoelectric actuator-induced wave propagation and understanding its physics are essential to developing advanced algorithms for the built-in NDE techniques. Therefore, the objective of this investigation was to develop an efficient hybrid spectral element for modeling piezoelectric actuator-induced high-frequency wave propagation in thin plates. With the hybrid element we take advantage of both a high-order spectral element in the in-plane direction and a linear finite element in the thickness direction in order to efficiently analyze Lamb wave propagation in thin plates. The hybrid spectral element out-performs other elements in terms of leading to significantly faster computation and smaller memory requirements. Use of the hybrid spectral element is proven to be an efficient technique for modeling PZT-induced (PZT: lead zirconate titanate) wave propagation in thin plates. The element enables fundamental understanding of PZT-induced wave propagation.

Characterization of Fine Airborne Particulate Collected in Tokyo and Major Atmospheric Emission Sources by Using Single Particle Measurement of SEM-EDX

NASA Astrophysics Data System (ADS)

Sato, K.; Iijima, A.; Furuta, N.

2008-12-01

In our long-term monitoring of size-classified Airborne Particulate Matter (APM) in Tokyo since 1995, it had been demonstrated that toxic elements such as As, Se, Cd, Sb and Pb were extremely enriched in fine APM (PM2.5). However, in that study, total sampled APM on a filter was digested with acids, and thus only averaged elemental composition in fine APM could be obtained. One of the effective methods to determine the origin of APM is single particle measurement by using SEM-EDX. By using characteristic shapes observed by SEM and marker elements contained in APM measured by EDX, detailed information for source identification can be obtained. In this study, fine APM (PM2.5) was collected at various locations such as roadside, diesel vehicle exhaust, a heavy oil combustion plant and a waste incineration plant as well as ambient atmosphere in Tokyo, and characteristics of fine particles that will be utilized for identification of emission sources are elucidated. Fine particles can be classified into 3 main characteristic shape groups; edge-shaped, cotton-like and spherical. Shape of particles collected in a heavy oil combustion plant and a waste incineration plant was mostly spherical, and these particles may be associated with thermal process. Diesel exhaust particles were predominantly cotton-like which may consist of coagulated nano-sized particles. Most of brake abrasion dusts were edge-shaped, which may be associated with mechanical abrasion of brake pads. In the elemental analysis of fine particles, high concentrations of Sb, Cu, Ti and Ba were detected in brake abrasion dusts. Since these elements are major constituents of brake pads, these can be used for marker elements of brake abrasion dusts. High concentration of C was detected in diesel exhaust particles and oil combustion particles, and thus C can be used for marker elements of their origin. Furthermore, high concentrations of C, Ca and K were detected in fly ash from a waste incineration plant, which may be associated with emission from biomass combustion.

A priori error estimates for an hp-version of the discontinuous Galerkin method for hyperbolic conservation laws

NASA Technical Reports Server (NTRS)

Bey, Kim S.; Oden, J. Tinsley

1993-01-01

A priori error estimates are derived for hp-versions of the finite element method for discontinuous Galerkin approximations of a model class of linear, scalar, first-order hyperbolic conservation laws. These estimates are derived in a mesh dependent norm in which the coefficients depend upon both the local mesh size h(sub K) and a number p(sub k) which can be identified with the spectral order of the local approximations over each element.

Toward regional-scale adjoint tomography in the deep earth

NASA Astrophysics Data System (ADS)

Masson, Y.; Romanowicz, B. A.

2013-12-01

Thanks to the development of efficient numerical computation methods, such as the Spectral Element Method (SEM) and to the increasing power of computer clusters, it is now possible to obtain regional-scale images of the Earth's interior using adjoint-tomography (e.g. Tape, C., et al., 2009). As for now, these tomographic models are limited to the upper layers of the earth, i.e., they provide us with high-resolution images of the crust and the upper part of the mantle. Given the gigantic amount of calculation it represents, obtaing similar models at the global scale (i.e. images of the entire Earth) seems out of reach at the moment. Furthermore, it's likely that the first generation of such global adjoint tomographic models will have a resolution significantly smaller than the current regional models. In order to image regions of interests in the deep Earth, such as plumes, slabs or large low shear velocity provinces (LLSVPs), while keeping the computation tractable, we are developing new tools that will allow us to perform regional-scale adjoint-tomography at arbitrary depths. In a recent study (Masson et al., 2013), we showed that a numerical equivalent of the time reversal mirrors used in experimental acoustics permits to confine the wave propagation computations (i.e. using SEM simulations) inside the region to be imaged. With this ability to limit wave propagation modeling inside a region of interest, obtaining the adjoint sensitivity kernels needed for tomographic imaging is only two steps further. First, the local wavefield modeling needs to be coupled with field extrapolation techniques in order to obtain synthetic seismograms at the surface of the earth. These seismograms will account for the 3D structure inside the region of interest in a quasi-exact manner. We will present preliminary results where the field-extrapolation is performed using Green's function computed in a 1D Earth model thanks to the Direct Solution Method (DSM). Once synthetic seismograms can be obtained, it is possible to evaluate the misfit between observed and computed seismograms. The second step will then be to extrapolate the misfit function back into the SEM region in order to compute local adjoint sensitivity kernels. When available, these kernels will allow us to perform regional-scale adjoint tomography at arbitrary locations inside the earth. Masson Y., Cupillard P., Capdeville Y., & Romanowicz B., 2013. On the numerical implementation of time-reversal mirrors for tomographic imaging, Journal of Geophysical Research (under review). Tape, C., et al. (2009). "Adjoint tomography of the southern California crust." Science 325(5943): 988-992.

Spectral-element simulation of two-dimensional elastic wave propagation in fully heterogeneous media on a GPU cluster

NASA Astrophysics Data System (ADS)

Rudianto, Indra; Sudarmaji

2018-04-01

We present an implementation of the spectral-element method for simulation of two-dimensional elastic wave propagation in fully heterogeneous media. We have incorporated most of realistic geological features in the model, including surface topography, curved layer interfaces, and 2-D wave-speed heterogeneity. To accommodate such complexity, we use an unstructured quadrilateral meshing technique. Simulation was performed on a GPU cluster, which consists of 24 core processors Intel Xeon CPU and 4 NVIDIA Quadro graphics cards using CUDA and MPI implementation. We speed up the computation by a factor of about 5 compared to MPI only, and by a factor of about 40 compared to Serial implementation.

Achromatic registration of quadrature components of the optical spectrum in spectral domain optical coherence tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shilyagin, P A; Gelikonov, G V; Gelikonov, V M

2014-07-31

We have thoroughly investigated the method of simultaneous reception of spectral components with the achromatised quadrature phase shift between two portions of a reference wave, designed for the effective suppression of the 'mirror' artefact in the resulting image obtained by means of spectral domain optical coherence tomography (SD OCT). We have developed and experimentally tested a phase-shifting element consisting of a beam divider, which splits the reference optical beam into the two beams, and of delay lines being individual for each beam, which create a mutual phase difference of π/2 in the double pass of the reference beam. The phasemore » shift achromatism over a wide spectral range is achieved by using in the delay lines the individual elements with different dispersion characteristics. The ranges of admissible adjustment parameters of the achromatised delay line are estimated for exact and inexact conformity of the geometric characteristics of its components to those calculated. A possibility of simultaneous recording of the close-to-quadrature spectral components with a single linear photodetector element is experimentally confirmed. The suppression of the artefact mirror peak in the OCT-signal by an additional 9 dB relative to the level of its suppression is experimentally achieved when the air delay line is used. Two-dimensional images of the surface positioned at an angle to the axis of the probe beam are obtained with the correction of the 'mirror' artefact while maintaining the dynamic range of the image. (laser biophotonics)« less

Achieving the resolution of the spectrograph of the 6m large Azimuthal telescope

NASA Astrophysics Data System (ADS)

Sazonenko, Dmitrii; Kukushkin, Dmitrii; Bakholdin, Alexey; Valyavin, Gennady

2016-08-01

Special Astrophysical Observatory of Russian Academy of Sciences (SAO RAS) creates a spectrograph with high spectral resolution for the 6-meter telescope. The spectrograph consists of a mobile unit located at the focus of the telescope's main mirror, a stationary part located under the telescope and optical fibers which transmit light from the mobile part to the stationary one. The spectral resolution of the stationary part should be R=100000. To achieve such a value, the scheme has two spectral elements, with cross-dispersion. The main spectral element is an echelle grating. The second spectral element is a prism with a diffraction grating on one facet.

Bessel smoothing filter for spectral-element mesh

NASA Astrophysics Data System (ADS)

Trinh, P. T.; Brossier, R.; Métivier, L.; Virieux, J.; Wellington, P.

2017-06-01

Smoothing filters are extremely important tools in seismic imaging and inversion, such as for traveltime tomography, migration and waveform inversion. For efficiency, and as they can be used a number of times during inversion, it is important that these filters can easily incorporate prior information on the geological structure of the investigated medium, through variable coherent lengths and orientation. In this study, we promote the use of the Bessel filter to achieve these purposes. Instead of considering the direct application of the filter, we demonstrate that we can rely on the equation associated with its inverse filter, which amounts to the solution of an elliptic partial differential equation. This enhances the efficiency of the filter application, and also its flexibility. We apply this strategy within a spectral-element-based elastic full waveform inversion framework. Taking advantage of this formulation, we apply the Bessel filter by solving the associated partial differential equation directly on the spectral-element mesh through the standard weak formulation. This avoids cumbersome projection operators between the spectral-element mesh and a regular Cartesian grid, or expensive explicit windowed convolution on the finite-element mesh, which is often used for applying smoothing operators. The associated linear system is solved efficiently through a parallel conjugate gradient algorithm, in which the matrix vector product is factorized and highly optimized with vectorized computation. Significant scaling behaviour is obtained when comparing this strategy with the explicit convolution method. The theoretical numerical complexity of this approach increases linearly with the coherent length, whereas a sublinear relationship is observed practically. Numerical illustrations are provided here for schematic examples, and for a more realistic elastic full waveform inversion gradient smoothing on the SEAM II benchmark model. These examples illustrate well the efficiency and flexibility of the approach proposed.

The original method for imaging of biological tissues in optical coherence tomography with usage of hyperchromatic lens

NASA Astrophysics Data System (ADS)

Egorov, D. I.

2017-06-01

Our study focuses on an analysis of the original method of investigation biological tissues in the spectral OCT (optical coherence tomography) with usage hyperchromatic lenses. Using hyperchromatic lens, i.e. the lens with uncorrected longitudinal color allows scanning in the depth of the object by changing the wavelength of the emitter. In this case, the depth of the scan will be determined not by the microlens depth of field, but the value of axial color. In our study, we demonstrated the advantages of this method of research on biological tissues existing. Spectral OCT schemes with the hyperchromatic lens could increase the depth of spectral scanning, eliminate the use of multi-channel systems with a set of microscope objectives, reduce the time of measurement. In our paper, we show the developed method of calculation of hyperchromatic lenses and hybrid hyperchromatic lens consisting of a diffractive and refractive component in spectral OCT systems. We also demonstrate the results of aberration calculation designed microscope lenses. We show examples of developed hyperchromatic lenses with the diffractive element and without it.

The fundamental parameter method applied to X-ray fluorescence analysis with synchrotron radiation

NASA Astrophysics Data System (ADS)

Pantenburg, F. J.; Beier, T.; Hennrich, F.; Mommsen, H.

1992-05-01

Quantitative X-ray fluorescence analysis applying the fundamental parameter method is usually restricted to monochromatic excitation sources. It is shown here, that such analyses can be performed as well with a white synchrotron radiation spectrum. To determine absolute elemental concentration values it is necessary to know the spectral distribution of this spectrum. A newly designed and tested experimental setup, which uses the synchrotron radiation emitted from electrons in a bending magnet of ELSA (electron stretcher accelerator of the university of Bonn) is presented. The determination of the exciting spectrum, described by the given electron beam parameters, is limited due to uncertainties in the vertical electron beam size and divergence. We describe a method which allows us to determine the relative and absolute spectral distributions needed for accurate analysis. First test measurements of different alloys and standards of known composition demonstrate that it is possible to determine exact concentration values in bulk and trace element analysis.

Library Optimization in EDXRF Spectral Deconvolution for Multi-element Analysis of Ambient Aerosols

EPA Science Inventory

In multi-element analysis of atmospheric aerosols, attempts are made to fit overlapping elemental spectral lines for many elements that may be undetectable in samples due to low concentrations. Fitting with many library reference spectra has the unwanted effect of raising the an...

Ligational behavior of clioquinol antifungal drug towards Ag(I), Hg(II), Cr(III) and Fe(III) metal ions: Synthesis, spectroscopic, thermal, morphological and antimicrobial studies

NASA Astrophysics Data System (ADS)

El-Megharbel, Samy M.; Refat, Moamen S.

2015-04-01

This article presents a synthesis, characterization, theoretical and biological (anti-bacterial, and anti-fugal) evaluation studies of Ag(I), Hg(II), Cr(III) and Fe(III) complexes of clioquinol (CQ) drug ligand. Structures of the titled complexes cited herein were discussed using elemental analyses and spectral measurements e.g., IR, 1H NMR, and electronic studies. The results confirmed the formation of the clioquinol complexes by three molar ratios (1:1) for Ag(I), (1:2) for Hg(II) and (1:3) for both Cr(III) and Fe(III) metal ions. The clioquinol reacts as a bidentate chelate bound to all respected metal ions through the oxygen and nitrogen of quinoline-8-ol. The metal(II) ions coordinated to clioquinol ligand through deprotonation of sbnd OH terminal group. Infrared and 1H NMR spectral data confirm that coordination is via the oxygen of phenolic group and nitrogen atom of quinoline moiety. The molar conductance measurements of the CQ complexes in DMSO correspond to be non-electrolyte nature. Thus, these complexes may be formulated as [Ag(CQ)(H2O)2] H2O, [Hg(CQ)2]ṡ2H2O, [Cr(CQ)3] and [Fe(CQ)3]H2O. The Coats-Redfern method, the kinetic thermodynamic parameters like activation energies (E∗), entropies (ΔS∗), enthalpies (ΔH∗), and Gibbs free energies (ΔG∗) of the thermal decomposition reactions have been deduced from thermogravimetric curves (TG) with helpful of differential thermo gravimetric (DTG) curves. The narrow size distribution in nano-scale range for the clioquinol complexes have been discussed using X-ray powder diffraction (XRD), scanning electron microscope (SEM), and X-ray energy dispersive spectrometer (EDX) analyzer.

Determination of Pb in Biological Samples by Graphite Furnace Atomic Absorption Spectrophotometry: An Exercise in Common Interferences and Fundamental Practices in Trace Element Determination

ERIC Educational Resources Information Center

Spudich, Thomas M.; Herrmann, Jennifer K.; Fietkau, Ronald; Edwards, Grant A.

2004-01-01

An experiment is conducted to ascertain trace-level Pb in samples of bovine liver or muscle by applying graphite furnace atomic absorption spectrophotometry (GFAAS). The primary objective is to display the effects of physical and spectral intrusions in determining trace elements, and project the usual methods employed to minimize accuracy errors…

Simulation of multi-element multispectral UV radiation source for optical-electronic system of minerals luminescence analysis

NASA Astrophysics Data System (ADS)

Peretyagin, Vladimir S.; Korolev, Timofey K.; Chertov, Aleksandr N.

2017-02-01

The problems of dressability the solid minerals are attracted attention of specialists, where the extraction of mineral raw materials is a significant sector of the economy. There are a significant amount of mineral ore dressability methods. At the moment the radiometric dressability methods are considered the most promising. One of radiometric methods is method photoluminescence. This method is based on the spectral analysis, amplitude and kinetic parameters luminescence of minerals (under UV radiation), as well as color parameters of radiation. The absence of developed scientific and methodological approaches of analysis irradiation area to UV radiation as well as absence the relevant radiation sources are the factors which hinder development and use of photoluminescence method. The present work is devoted to the development of multi-element UV radiation source designed for the solution problem of analysis and sorting minerals by their selective luminescence. This article is presented a method of theoretical modeling of the radiation devices based on UV LEDs. The models consider such factors as spectral component, the spatial and energy parameters of the LEDs. Also, this article is presented the results of experimental studies of the some samples minerals.

Unstructured Adaptive Meshes: Bad for Your Memory?

NASA Technical Reports Server (NTRS)

Biswas, Rupak; Feng, Hui-Yu; VanderWijngaart, Rob

2003-01-01

This viewgraph presentation explores the need for a NASA Advanced Supercomputing (NAS) parallel benchmark for problems with irregular dynamical memory access. This benchmark is important and necessary because: 1) Problems with localized error source benefit from adaptive nonuniform meshes; 2) Certain machines perform poorly on such problems; 3) Parallel implementation may provide further performance improvement but is difficult. Some examples of problems which use irregular dynamical memory access include: 1) Heat transfer problem; 2) Heat source term; 3) Spectral element method; 4) Base functions; 5) Elemental discrete equations; 6) Global discrete equations. Nonconforming Mesh and Mortar Element Method are covered in greater detail in this presentation.

The New Maia Detector System: Methods For High Definition Trace Element Imaging Of Natural Material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryan, C. G.; School of Physics, University of Melbourne, Parkville VIC; CODES Centre of Excellence, University of Tasmania, Hobart TAS

2010-04-06

Motivated by the need for megapixel high definition trace element imaging to capture intricate detail in natural material, together with faster acquisition and improved counting statistics in elemental imaging, a large energy-dispersive detector array called Maia has been developed by CSIRO and BNL for SXRF imaging on the XFM beamline at the Australian Synchrotron. A 96 detector prototype demonstrated the capacity of the system for real-time deconvolution of complex spectral data using an embedded implementation of the Dynamic Analysis method and acquiring highly detailed images up to 77 M pixels spanning large areas of complex mineral sample sections.

The New Maia Detector System: Methods For High Definition Trace Element Imaging Of Natural Material

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ryan, C.G.; Siddons, D.P.; Kirkham, R.

2010-05-25

Motivated by the need for megapixel high definition trace element imaging to capture intricate detail in natural material, together with faster acquisition and improved counting statistics in elemental imaging, a large energy-dispersive detector array called Maia has been developed by CSIRO and BNL for SXRF imaging on the XFM beamline at the Australian Synchrotron. A 96 detector prototype demonstrated the capacity of the system for real-time deconvolution of complex spectral data using an embedded implementation of the Dynamic Analysis method and acquiring highly detailed images up to 77 M pixels spanning large areas of complex mineral sample sections.

Development of carboxymethyl cellulose-based hydrogel and nanosilver composite as antimicrobial agents for UTI pathogens.

PubMed

Alshehri, Saad M; Aldalbahi, Ali; Al-Hajji, Abdullah Baker; Chaudhary, Anis Ahmad; Panhuis, Marc In Het; Alhokbany, Norah; Ahamad, Tansir

2016-03-15

Silver nanoparticles (AgNPs) containing hydrogel composite were first synthesized by preparing a new hydrogel from carboxymethyl cellulose (CMC), polyvinyl alcohol (PVA), and the cross-linker ethylene glycol diglycidyl ether (EGDE), followed by the incorporation of AgNPs by microwave radiation. The resulting neat hydrogels and AgNPs-hydrogel composites were characterized using spectral, thermal, microscopic analysis and X-ray diffraction (XRD) analyses. The SEM and TEM results demonstrated that the synthesized AgNPs were spherical with diameters ranging from 8 to 14nm. In addition, the XRD analysis confirmed the nanocrystalline phase of silver with face-centered cubic (FCC) crystal structure. Energy dispersive spectroscopy (EDS) analysis of the AgNPs confirmed the presence of an elemental silver signal, and no peaks of any other impurities were detected. Additionally, the antibacterial activities of the neat hydrogel and AgNPs-hydrogel composites were measured by Kirby-Bauer method against urinary tract infection (UTI) pathogens. The rheology measurement revealed that the values of storage modulus (G') were higher than that of loss modulus (G″). The AgNPs-hydrogel composites exhibited higher antibacterial activity against Escherichia coli, Klebsiella pneumoniae, Pseudomonas aeruginosa, Proteus vulgaris, Staphylococcus aureus and Proteus mirabilis compared to the corresponding neat hydrogel. Copyright © 2015 Elsevier Ltd. All rights reserved.

Advanced Characterization of Rare Earth Elements in Coal Utilization Byproducts

NASA Astrophysics Data System (ADS)

Verba, C.; Scott, M.; Dieterich, M.; Poston, J.; Collins, K.

2016-12-01

Rare earth elements (REE) in various forms (e.g., crystalline mineral phases; adsorbed/absorbed state on and into organic macerals, neoformed glass from flyash or bottom ash) from domestic feedstocks such as coal deposits to coal utilization byproducts (CUB) have the potential to reduce foreign REE dependence and increase domestic resource security. Characterization is critical for understanding environmental risks related to their fate and transport as well as determining the most practical and economical techniques for concentrating the REE and converting them into chemical stocks for manufacturing. Several complementary electron microscopy (SEM-EDS, EPMA-WDS, FIB-SEM, cathodoluminescence, and XRD) and post image processing techniques were used to understand REE transition from coal to CUB. Sites of interest were identified and imaged and respective elemental x-ray maps acquired and montaged. Pixel classification of SEM imagers was completed using image analysis techniques to quantify the distribution of REE associated features. Quantitative elemental analysis of phases were completed using EMPA-WDS followed by FIB-SEM. The FIB-SEM results were reconstructed into 3D volumes and features of interest (e.g. monazite) were analyzed to determine the structure and volumetric estimation of REEs and thus predict detrital REE phases to ICP-MS results. Trace minerals were identified as pyrite, zircon, REE-phosphates' (monazite, xenotime), and barite within the coal tailings. In CUB, amorphous aluminosilicates, iron oxide cenospheres, and calcium oxides were present; monazite appear to be unaltered and unaffected by the combustion process in these samples. Thermal decomposition may have occurred due to presence of detrital zircon and xenotime and subsequent thin Ca-oxide coating enriched in trace REEs.

Morphological, spectral and chromatography analysis and forensic comparison of PET fibers.

PubMed

Farah, Shady; Tsach, Tsadok; Bentolila, Alfonso; Domb, Abraham J

2014-06-01

Poly(ethylene terephthalate) (PET) fiber analysis and comparison by spectral and polymer molecular weight determination was investigated. Plain fibers of PET, a common textile fiber and plastic material was chosen for this study. The fibers were analyzed for morphological (SEM and AFM), spectral (IR and NMR), thermal (DSC) and molecular weight (MS and GPC) differences. Molecular analysis of PET fibers by Gel Permeation Chromatography (GPC) allowed the comparison of fibers that could not be otherwise distinguished with high confidence. Plain PET fibers were dissolved in hexafluoroisopropanol (HFIP) and analyzed by GPC using hexafluoroisopropanol:chloroform 2:98 v/v as eluent. 14 PET fiber samples, collected from various commercial producers, were analyzed for polymer molecular weight by GPC. Distinct differences in the molecular weight of the different fiber samples were found which may have potential use in forensic fiber comparison. PET fibers with average molecular weights between about 20,000 and 70,000 g mol(-1) were determined using fiber concentrations in HFIP as low as 1 μg mL(-1). This GPC analytical method can be applied for exclusively distinguish between PET fibers using 1 μg of fiber. This method can be extended to forensic comparison of other synthetic fibers such as polyamides and acrylics. Copyright © 2014 Elsevier B.V. All rights reserved.

Standard Reference Line Combined with One-Point Calibration-Free Laser-Induced Breakdown Spectroscopy (CF-LIBS) to Quantitatively Analyze Stainless and Heat Resistant Steel.

PubMed

Fu, Hongbo; Wang, Huadong; Jia, Junwei; Ni, Zhibo; Dong, Fengzhong

2018-01-01

Due to the influence of major elements' self-absorption, scarce observable spectral lines of trace elements, and relative efficiency correction of experimental system, accurate quantitative analysis with calibration-free laser-induced breakdown spectroscopy (CF-LIBS) is in fact not easy. In order to overcome these difficulties, standard reference line (SRL) combined with one-point calibration (OPC) is used to analyze six elements in three stainless-steel and five heat-resistant steel samples. The Stark broadening and Saha - Boltzmann plot of Fe are used to calculate the electron density and the plasma temperature, respectively. In the present work, we tested the original SRL method, the SRL with the OPC method, and intercept with the OPC method. The final calculation results show that the latter two methods can effectively improve the overall accuracy of quantitative analysis and the detection limits of trace elements.

Computational Performance of a Parallelized Three-Dimensional High-Order Spectral Element Toolbox

NASA Astrophysics Data System (ADS)

Bosshard, Christoph; Bouffanais, Roland; Clémençon, Christian; Deville, Michel O.; Fiétier, Nicolas; Gruber, Ralf; Kehtari, Sohrab; Keller, Vincent; Latt, Jonas

In this paper, a comprehensive performance review of an MPI-based high-order three-dimensional spectral element method C++ toolbox is presented. The focus is put on the performance evaluation of several aspects with a particular emphasis on the parallel efficiency. The performance evaluation is analyzed with help of a time prediction model based on a parameterization of the application and the hardware resources. A tailor-made CFD computation benchmark case is introduced and used to carry out this review, stressing the particular interest for clusters with up to 8192 cores. Some problems in the parallel implementation have been detected and corrected. The theoretical complexities with respect to the number of elements, to the polynomial degree, and to communication needs are correctly reproduced. It is concluded that this type of code has a nearly perfect speed up on machines with thousands of cores, and is ready to make the step to next-generation petaflop machines.

Infrared retina

DOEpatents

Krishna, Sanjay [Albuquerque, NM; Hayat, Majeed M [Albuquerque, NM; Tyo, J Scott [Tucson, AZ; Jang, Woo-Yong [Albuquerque, NM

2011-12-06

Exemplary embodiments provide an infrared (IR) retinal system and method for making and using the IR retinal system. The IR retinal system can include adaptive sensor elements, whose properties including, e.g., spectral response, signal-to-noise ratio, polarization, or amplitude can be tailored at pixel level by changing the applied bias voltage across the detector. "Color" imagery can be obtained from the IR retinal system by using a single focal plane array. The IR sensor elements can be spectrally, spatially and temporally adaptive using quantum-confined transitions in nanoscale quantum dots. The IR sensor elements can be used as building blocks of an infrared retina, similar to cones of human retina, and can be designed to work in the long-wave infrared portion of the electromagnetic spectrum ranging from about 8 .mu.m to about 12 .mu.m as well as the mid-wave portion ranging from about 3 .mu.m to about 5 .mu.m.

A spectral boundary integral equation method for the 2-D Helmholtz equation

NASA Technical Reports Server (NTRS)

Hu, Fang Q.

1994-01-01

In this paper, we present a new numerical formulation of solving the boundary integral equations reformulated from the Helmholtz equation. The boundaries of the problems are assumed to be smooth closed contours. The solution on the boundary is treated as a periodic function, which is in turn approximated by a truncated Fourier series. A Fourier collocation method is followed in which the boundary integral equation is transformed into a system of algebraic equations. It is shown that in order to achieve spectral accuracy for the numerical formulation, the nonsmoothness of the integral kernels, associated with the Helmholtz equation, must be carefully removed. The emphasis of the paper is on investigating the essential elements of removing the nonsmoothness of the integral kernels in the spectral implementation. The present method is robust for a general boundary contour. Aspects of efficient implementation of the method using FFT are also discussed. A numerical example of wave scattering is given in which the exponential accuracy of the present numerical method is demonstrated.

LANDSCAPE CHARACTERIZATION AND CHANGE DETECTION METHODS DEVELOPMENT RESEARCH (2005-2007)

EPA Science Inventory

The characterization of land-cover (LC) type, extent, and distribution represent important landscape characterization element required for monitoring ecosystem conditions and for primary data input to biogenic emission and atmospheric deposition models. Current spectral-based ch...

Information-efficient spectral imaging sensor

DOEpatents

Sweatt, William C.; Gentry, Stephen M.; Boye, Clinton A.; Grotbeck, Carter L.; Stallard, Brian R.; Descour, Michael R.

2003-01-01

A programmable optical filter for use in multispectral and hyperspectral imaging. The filter splits the light collected by an optical telescope into two channels for each of the pixels in a row in a scanned image, one channel to handle the positive elements of a spectral basis filter and one for the negative elements of the spectral basis filter. Each channel for each pixel disperses its light into n spectral bins, with the light in each bin being attenuated in accordance with the value of the associated positive or negative element of the spectral basis vector. The spectral basis vector is constructed so that its positive elements emphasize the presence of a target and its negative elements emphasize the presence of the constituents of the background of the imaged scene. The attenuated light in the channels is re-imaged onto separate detectors for each pixel and then the signals from the detectors are combined to give an indication of the presence or not of the target in each pixel of the scanned scene. This system provides for a very efficient optical determination of the presence of the target, as opposed to the very data intensive data manipulations that are required in conventional hyperspectral imaging systems.

Noninvasive Evaluation of Special Alloys for Prostheses Using Complementary Methods

NASA Astrophysics Data System (ADS)

Savin, A.; Vizureanu, P.; Prevorovsky, Z.; Chlada, M.; Krofta, J.; Baltatu, M. S.; Istrate, B.; Steigmann, R.

2018-06-01

Ti-Mo-Si alloys have gained the attention of biomedical industry due to specific strength and corrosion resistance and the best biocompatibility among metallic materials used in medical prostheses. In order to characterize the material, the experimental determination of elastic matrix, mechanical wear and the probability of appearance and propagation of thin cracks are imposed. Thus, resonant ultrasound spectroscopy and acoustic emission as non-invasive methods and complementary methods as SEM, EDX are involved, to choose the best concentration of elements with the aim of mechanical properties improvement.

Dakota Uncertainty Quantification Methods Applied to the CFD code Nek5000

DOE Office of Scientific and Technical Information (OSTI.GOV)

Delchini, Marc-Olivier; Popov, Emilian L.; Pointer, William David

This report presents the state of advancement of a Nuclear Energy Advanced Modeling and Simulation (NEAMS) project to characterize the uncertainty of the computational fluid dynamics (CFD) code Nek5000 using the Dakota package for flows encountered in the nuclear engineering industry. Nek5000 is a high-order spectral element CFD code developed at Argonne National Laboratory for high-resolution spectral-filtered large eddy simulations (LESs) and unsteady Reynolds-averaged Navier-Stokes (URANS) simulations.

Clean focus, dose and CD metrology for CD uniformity improvement

NASA Astrophysics Data System (ADS)

Lee, Honggoo; Han, Sangjun; Hong, Minhyung; Kim, Seungyoung; Lee, Jieun; Lee, DongYoung; Oh, Eungryong; Choi, Ahlin; Kim, Nakyoon; Robinson, John C.; Mengel, Markus; Pablo, Rovira; Yoo, Sungchul; Getin, Raphael; Choi, Dongsub; Jeon, Sanghuck

2018-03-01

Lithography process control solutions require more exacting capabilities as the semiconductor industry goes forward to the 1x nm node DRAM device manufacturing. In order to continue scaling down the device feature sizes, critical dimension (CD) uniformity requires continuous improvement to meet the required CD error budget. In this study we investigate using optical measurement technology to improve over CD-SEM methods in focus, dose, and CD. One of the key challenges is measuring scanner focus of device patterns. There are focus measurement methods based on specially designed marks on scribe-line, however, one issue of this approach is that it will report focus of scribe line which is potentially different from that of the real device pattern. In addition, scribe-line marks require additional design and troubleshooting steps that add complexity. In this study, we investigated focus measurement directly on the device pattern. Dose control is typically based on using the linear correlation behavior between dose and CD. The noise of CD measurement, based on CD-SEM for example, will not only impact the accuracy, but also will make it difficult to monitor dose signature on product wafers. In this study we will report the direct dose metrology result using an optical metrology system which especially enhances the DUV spectral coverage to improve the signal to noise ratio. CD-SEM is often used to measure CD after the lithography step. This measurement approach has the advantage of easy recipe setup as well as the flexibility to measure critical feature dimensions, however, we observe that CD-SEM metrology has limitations. In this study, we demonstrate within-field CD uniformity improvement through the extraction of clean scanner slit and scan CD behavior by using optical metrology.

High Resolution Chemical Study of ALH84001

NASA Technical Reports Server (NTRS)

Conrad, Pamela G.; Douglas, Susanne; Kuhlman, Kimberly R.

2001-01-01

We have studied the chemistry of a sample of the SNC meteorite ALH84001 using an environmental scanning electron microscope (ESEM) with an energy dispersive chemical analytical detector and a focused ion beam secondary ion mass spectrometer (FIB-SIMS). Here we present the chemical data, both spectra and images, from two techniques that do not require sample preparation with a conductive coating, thus eliminating the possibility of preparation-induced textural artifacts. The FIB-SIMS instrument includes a column optimized for SEM with a quadrupole type mass spectrometer. Its spatial and spectral resolution are 20 nm and 0.4 AMU, respectively. The spatial resolution of the ESEM for chemical analysis is about 100 nm. Limits of detection for both instruments are mass dependent. Both the ESEM and the FIB-SIMS instrument revealed contrasting surficial features; crumbled, weathered appearance of the matrix in some regions as well as a rather ubiquitous presence of euhedral halite crystals, often associated with cracks or holes in the surface of the rock. Other halogen elements present in the vicinity of the NaCl crystals include K and Br. In this report, elemental inventories are shown as mass spectra and as X-ray maps.

Using Gamma ray and Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES) to Evaluate Elemental Sequences in Cap-carbonates and Cap-like Carbonates of the Death Valley Region

NASA Astrophysics Data System (ADS)

Holter, S. A.; Theissen, K. M.; Hickson, T. A.; Bostick, B.

2004-12-01

The Snowball Earth theory of Hoffman et al. (1998) proposes dramatic post-glacial chemical weathering as large concentrations of carbon were removed from the atmosphere. This would result in a large input of terrigenous material into the oceans; hence, we might expect that carbonates formed under these conditions would demonstrate elevated K, U, Th levels in comparison to carbonates formed under more typical conditions. In January of 2004 we collected spectral gamma data (K, U, Th) and hand samples from cap carbonates (Noonday Dolomite) and cap-like carbonates (Beck Spring Dolomite) of the Death Valley region in order to explore elemental changes in post-snowball Earth oceans. Based on our spectral gamma results, Th/U ratio trends suggested variations in the oxidation state of the Precambrian ocean. We pursued further investigations of trace elements to ascertain the reliability of these results by using ICP-OES. A suite of 25 trace elements was measured, most notably including U and Th. The ICP-OES data not only allow us to compare elemental changes between cap-carbonates and cap-like carbonates, but they also allow for a comparison of optical emission spectrometry and hand held gamma spectrometry methods. Both methods show similar trends in U and Th values for both the cap-carbonates and cap-like carbonates.

Determining nucleosynthesis yields in supernovae with spectral modelling

NASA Astrophysics Data System (ADS)

Jerkstrand, Anders

2018-04-01

The methodology to estimate element masses in supernova ejecta from nebular spectroscopy is discussed. Results using the SUMO spectral synthesis code are reviewed with regard to two key elements; oxygen (a hydrostatic burning ash) and nickel (an explosive burning ash). The typical oxygen mass in both Type IIP and IIb supernovae is found to be ˜0.5 M⊙, and points to progenitor stars in the 8 - 17 M⊙ range. For nickel, a new diagnostic method has been developed that shows Ni/Fe production close to solar in most cases, but sometimes larger by a factor of a few. It is shown that the larger values require the burning of silicon shell layers in the progenitor, a unique constraint on explosion theory.

Stabilization of numerical interchange in spectral-element magnetohydrodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sovinec, C. R.

In this study, auxiliary numerical projections of the divergence of flow velocity and vorticity parallel to magnetic field are developed and tested for the purpose of suppressing unphysical interchange instability in magnetohydrodynamic simulations. The numerical instability arises with equal-order C 0 finite- and spectral-element expansions of the flow velocity, magnetic field, and pressure and is sensitive to behavior at the limit of resolution. The auxiliary projections are motivated by physical field-line bending, and coercive responses to the projections are added to the flow-velocity equation. Their incomplete expansions are limited to the highest-order orthogonal polynomial in at least one coordinate ofmore » the spectral elements. Cylindrical eigenmode computations show that the projections induce convergence from the stable side with first-order ideal-MHD equations during h-refinement and p-refinement. Hyperbolic and parabolic projections and responses are compared, together with different methods for avoiding magnetic divergence error. Lastly, the projections are also shown to be effective in linear and nonlinear time-dependent computations with the NIMROD code [C. R. Sovinec, et al., J. Comput. Phys. 195 (2004) 355-386], provided that the projections introduce numerical dissipation.« less

Stabilization of numerical interchange in spectral-element magnetohydrodynamics

DOE PAGES

Sovinec, C. R.

2016-05-10

In this study, auxiliary numerical projections of the divergence of flow velocity and vorticity parallel to magnetic field are developed and tested for the purpose of suppressing unphysical interchange instability in magnetohydrodynamic simulations. The numerical instability arises with equal-order C 0 finite- and spectral-element expansions of the flow velocity, magnetic field, and pressure and is sensitive to behavior at the limit of resolution. The auxiliary projections are motivated by physical field-line bending, and coercive responses to the projections are added to the flow-velocity equation. Their incomplete expansions are limited to the highest-order orthogonal polynomial in at least one coordinate ofmore » the spectral elements. Cylindrical eigenmode computations show that the projections induce convergence from the stable side with first-order ideal-MHD equations during h-refinement and p-refinement. Hyperbolic and parabolic projections and responses are compared, together with different methods for avoiding magnetic divergence error. Lastly, the projections are also shown to be effective in linear and nonlinear time-dependent computations with the NIMROD code [C. R. Sovinec, et al., J. Comput. Phys. 195 (2004) 355-386], provided that the projections introduce numerical dissipation.« less

Scanning Electron Microscopy-Energy-Dispersive X-Ray (SEM/EDX): A Rapid Diagnostic Tool to Aid the Identification of Burnt Bone and Contested Cremains.

PubMed

Ellingham, Sarah T D; Thompson, Tim J U; Islam, Meez

2018-03-01

This study investigates the use of Scanning electron microscopy-energy-dispersive X-ray (SEM-EDX) as a diagnostic tool for the determination of the osseous origin of samples subjected to different temperatures. Sheep (Ovis aries) ribs of two experimental groups (fleshed and defleshed) were burned at temperatures of between 100°C and 1100°C in 100°C increments and subsequently analyzed with the SEM-EDX to determine the atomic percentage of present elements. Three-factor ANOVA analysis showed that neither the exposure temperature, nor whether the burning occurred with or without soft tissue present had any significant influence on the bone's overall elemental makeup (p > 0.05). The Ca/P ratio remained in the osseous typical range of between 1.6 and 2.58 in all analyzed samples. This demonstrates that even faced with high temperatures, the overall gross elemental content and atomic percentage of elements in bone remain stable, creating a unique "fingerprint" for osseous material, even after exposure to extreme conditions. © 2017 American Academy of Forensic Sciences.

Quantitative Electron-Excited X-Ray Microanalysis of Borides, Carbides, Nitrides, Oxides, and Fluorides with Scanning Electron Microscopy/Silicon Drift Detector Energy-Dispersive Spectrometry (SEM/SDD-EDS) and NIST DTSA-II.

PubMed

Newbury, Dale E; Ritchie, Nicholas W M

2015-10-01

A scanning electron microscope with a silicon drift detector energy-dispersive X-ray spectrometer (SEM/SDD-EDS) was used to analyze materials containing the low atomic number elements B, C, N, O, and F achieving a high degree of accuracy. Nearly all results fell well within an uncertainty envelope of ±5% relative (where relative uncertainty (%)=[(measured-ideal)/ideal]×100%). Quantification was performed with the standards-based "k-ratio" method with matrix corrections calculated based on the Pouchou and Pichoir expression for the ionization depth distribution function, as implemented in the NIST DTSA-II EDS software platform. The analytical strategy that was followed involved collection of high count (>2.5 million counts from 100 eV to the incident beam energy) spectra measured with a conservative input count rate that restricted the deadtime to ~10% to minimize coincidence effects. Standards employed included pure elements and simple compounds. A 10 keV beam was employed to excite the K- and L-shell X-rays of intermediate and high atomic number elements with excitation energies above 3 keV, e.g., the Fe K-family, while a 5 keV beam was used for analyses of elements with excitation energies below 3 keV, e.g., the Mo L-family.

Determination of trace amounts of rare-earth elements in highly pure neodymium oxide by sector field inductively coupled plasma mass spectrometry (ICP-SFMS) and high-performance liquid chromatography (HPLC) techniques

NASA Astrophysics Data System (ADS)

Pedreira, W. R.; Sarkis, J. E. S.; da Silva Queiroz, C. A.; Rodrigues, C.; Tomiyoshi, I. A.; Abrão, A.

2003-02-01

Recently rare-earth elements (REE) have received much attention in fields of geochemistry and industry. Rapid and accurate determinations of them are increasingly required as industrial demands expand. Sector field inductively coupled plasma mass spectrometry (ICP-SFMS) with high-performance liquid chromatography (HPLC) has been applied to the determination of REE. HR ICP-MS was used as an element-selective detector for HPLC in highly pure materials. The separation of REE with HPLC helped to avoid erroneous analytical results due to spectral interferences. Sixteen elements (Sc, Y and 14 lanthanides) were determined selectively with the HPLC/ICP-SFMS system using a concentration gradient methods. The detection limits with the HPLC/ICP-SFMS system were about 0.5-10 pg mL-1. The percentage recovery ranged from 90% to 100% for different REE. The %RSD of the methods varying between 2.5% and 4.5% for a set of five (n=5) replicates was found for the IPEN's material and for the certificate reference sample. Determination of trace REEs in two highly pure neodymium oxides samples (IPEN and Johnson Matthey Company) were performed. In short, the IPEN's materials which are highly pure (>99.9%) were successfully analyzed without spectral interferences.

Joint Biological Standoff Detection System increment II: Field Demonstration - SINBAHD Performances

DTIC Science & Technology

2007-12-01

of a dispersive element and a range-gated ICCD that limits the spectral information within the selected volume. This technique has showed an...bioaerosols. This LIF signal is spectrally collected by the combination of a dispersive element and a range-gated ICCD that records spectral...2001 in order to underline the robustness of the spectral signature of a particular biomaterial but of different origin, preparation and dispersion

Electron probe X-ray microanalysis of cultured myogenic C2C12 cells with scanning and scanning transmission electron microscopy.

PubMed

Tylko, G; Karasiński, J; Wróblewski, R; Roomans, G M; Kilarski, W M

2000-01-01

Heterogeneity of the elemental content of myogenic C2C12 cultured cells was studied by electron probe X-ray microanalysis (EPXMA) with scanning (SEM EPXMA) and scanning transmission electron microscopy (STEM EPXMA). The best plastic substrate for growing cells was Thermanox. For STEM EPXMA, a Formvar film coated with carbon was found to be suitable substrate. The cells examined by scanning transmission electron microscopy showed great heterogeneity in their elemental content in comparison with the cells examined in the scanning electron microscope despite of an almost identical preparation procedure for EPXMA. Nevertheless the K/Na ratios obtained from both methods of EPXMA were very close (4.1 and 4.3). We conclude that the observed discrepancy in the elemental content obtained by the two methods may be due to differences in instrumentation and this must be taken into account when planning a comparative study.

Advances in spectroscopic methods for quantifying soil carbon

USGS Publications Warehouse

Reeves, James B.; McCarty, Gregory W.; Calderon, Francisco; Hively, W. Dean

2012-01-01

The current gold standard for soil carbon (C) determination is elemental C analysis using dry combustion. However, this method requires expensive consumables, is limited by the number of samples that can be processed (~100/d), and is restricted to the determination of total carbon. With increased interest in soil C sequestration, faster methods of analysis are needed, and there is growing interest in methods based on diffuse reflectance spectroscopy in the visible, near-infrared or mid-infrared spectral ranges. These spectral methods can decrease analytical requirements and speed sample processing, be applied to large landscape areas using remote sensing imagery, and be used to predict multiple analytes simultaneously. However, the methods require localized calibrations to establish the relationship between spectral data and reference analytical data, and also have additional, specific problems. For example, remote sensing is capable of scanning entire watersheds for soil carbon content but is limited to the surface layer of tilled soils and may require difficult and extensive field sampling to obtain proper localized calibration reference values. The objective of this chapter is to discuss the present state of spectroscopic methods for determination of soil carbon.

Research advances in reflectance spectra of plant leafs

NASA Astrophysics Data System (ADS)

Zhu, Taotao; Yang, Ting; Guo, Yanxin; Xu, Jingqi; Chang, Wandong; Fang, Siyi; Zhu, Kangkang; Xu, Tingyan

2018-02-01

Leaves are an important factor when we study plants because their water content, pigment content and nutrient content of leaves can reflect the current growth status of the whole plant. The methods of spectral diagnosis technology or image technology mainly are the pre-detection technique which can be used to invert the color, texture and spectral reflectance of the leaves. From this we can obtain the changes of the internal components and the external morphological characteristics of the plant leaves in different states changes. In this paper, the reflection spectral response mechanism of plant water content, pigment and nutrient elements at domestic and overseas are reviewed and compared.

Terahertz imaging devices and systems, and related methods, for detection of materials

DOEpatents

Kotter, Dale K.

2016-11-15

Terahertz imaging devices may comprise a focal plane array including a substrate and a plurality of resonance elements. The plurality of resonance elements may comprise a conductive material coupled to the substrate. Each resonance element of the plurality of resonance elements may be configured to resonate and produce an output signal responsive to incident radiation having a frequency between about a 0.1 THz and 4 THz range. A method of detecting a hazardous material may comprise receiving incident radiation by a focal plane array having a plurality of discrete pixels including a resonance element configured to absorb the incident radiation at a resonant frequency in the THz, generating an output signal from each of the discrete pixels, and determining a presence of a hazardous material by interpreting spectral information from the output signal.

Adjoint Tomography of the Southern California Crust (Invited) (Invited)

NASA Astrophysics Data System (ADS)

Tape, C.; Liu, Q.; Maggi, A.; Tromp, J.

2009-12-01

We iteratively improve a three-dimensional tomographic model of the southern California crust using numerical simulations of seismic wave propagation based on a spectral-element method (SEM) in combination with an adjoint method. The initial 3D model is provided by the Southern California Earthquake Center. The dataset comprises three-component seismic waveforms (i.e. both body and surface waves), filtered over the period range 2-30 s, from 143 local earthquakes recorded by a network of 203 stations. Time windows for measurements are automatically selected by the FLEXWIN algorithm. The misfit function in the tomographic inversion is based on frequency-dependent multitaper traveltime differences. The gradient of the misfit function and related finite-frequency sensitivity kernels for each earthquake are computed using an adjoint technique. The kernels are combined using a source subspace projection method to compute a model update at each iteration of a gradient-based minimization algorithm. The inversion involved 16 iterations, which required 6800 wavefield simulations and a total of 0.8 million CPU hours. The new crustal model, m16, is described in terms of independent shear (Vs) and bulk-sound (Vb) wavespeed variations. It exhibits strong heterogeneity, including local changes of ±30% with respect to the initial 3D model. The model reveals several features that relate to geologic observations, such as sedimentary basins, exhumed batholiths, and contrasting lithologies across faults. The quality of the new model is validated by quantifying waveform misfits of full-length seismograms from 91 earthquakes that were not used in the tomographic inversion. The new model provides more accurate synthetic seismograms that will benefit seismic hazard assessment.

Structure and photoluminescence studies of CeO2·CuAlO2 mixed metal oxide fabricated by co-precipitation method.

PubMed

Subhan, Md Abdus; Ahmed, Tanzir; Awal, M R; Kim, B Moon

2015-01-25

A novel mixed metal oxide, CeO2·CuAlO2 was fabricated by co-precipitation method in aqueous medium. CeO2·CuAlO2 was characterized by XRD, SEM, EDS, TEM, FTIR and PL spectra. The optical properties of the nanoparticles were studied by photoluminescence (PL) spectra. PL spectra at different excitations were recorded. The composite showed emission in UV, visible and NIR region depending on the excitation wavelength. The special spectral feature observed for this composite is that it showed six emission bands at 364, 409, 434, 448, 465 and 481 nm when excited at 298 nm. The green and red emissions observed at 512 and 669 nm are originated from cubic CeO2 phase when excited at 450 nm. The PL spectra were found to be dependent on excitation wavelength violating Kasha's rule. The X-ray diffraction reveals a cubic CeO2 phase and hexagonal CuAlO2 phase. EDS spectra revealed the presence of cerium (Ce), copper (Cu), aluminum (Al) and oxygen (O) elements. The particle size of the CeO2·CuAlO2 mixed oxide was estimated using Scherrer's formula, which was found to be in the range of 17.2-34.2 nm. The TEM image showed particles are almost uniform size of approximately 15-50 nm with spherical morphology. Copyright © 2014 Elsevier B.V. All rights reserved.

Structure and photoluminescence studies of CeO2·CuAlO2 mixed metal oxide fabricated by co-precipitation method

NASA Astrophysics Data System (ADS)

Subhan, Md Abdus; Ahmed, Tanzir; Awal, M. R.; Kim, B. Moon

2015-01-01

A novel mixed metal oxide, CeO2·CuAlO2 was fabricated by co-precipitation method in aqueous medium. CeO2·CuAlO2 was characterized by XRD, SEM, EDS, TEM, FTIR and PL spectra. The optical properties of the nanoparticles were studied by photoluminescence (PL) spectra. PL spectra at different excitations were recorded. The composite showed emission in UV, visible and NIR region depending on the excitation wavelength. The special spectral feature observed for this composite is that it showed six emission bands at 364, 409, 434, 448, 465 and 481 nm when excited at 298 nm. The green and red emissions observed at 512 and 669 nm are originated from cubic CeO2 phase when excited at 450 nm. The PL spectra were found to be dependent on excitation wavelength violating Kasha's rule. The X-ray diffraction reveals a cubic CeO2 phase and hexagonal CuAlO2 phase. EDS spectra revealed the presence of cerium (Ce), copper (Cu), aluminum (Al) and oxygen (O) elements. The particle size of the CeO2·CuAlO2 mixed oxide was estimated using Scherrer's formula, which was found to be in the range of 17.2-34.2 nm. The TEM image showed particles are almost uniform size of approximately 15-50 nm with spherical morphology.

Calibration-free quantitative elemental analysis of meteor plasma using reference laser-induced breakdown spectroscopy of meteorite samples

NASA Astrophysics Data System (ADS)

Ferus, Martin; Koukal, Jakub; Lenža, Libor; Srba, Jiří; Kubelík, Petr; Laitl, Vojtěch; Zanozina, Ekaterina M.; Váňa, Pavel; Kaiserová, Tereza; Knížek, Antonín; Rimmer, Paul; Chatzitheodoridis, Elias; Civiš, Svatopluk

2018-03-01

Aims: We aim to analyse real-time Perseid and Leonid meteor spectra using a novel calibration-free (CF) method, which is usually applied in the laboratory for laser-induced breakdown spectroscopic (LIBS) chemical analysis. Methods: Reference laser ablation spectra of specimens of chondritic meteorites were measured in situ simultaneously with a high-resolution laboratory echelle spectrograph and a spectral camera for meteor observation. Laboratory data were subsequently evaluated via the CF method and compared with real meteor emission spectra. Additionally, spectral features related to airglow plasma were compared with the spectra of laser-induced breakdown and electric discharge in the air. Results: We show that this method can be applied in the evaluation of meteor spectral data observed in real time. Specifically, CF analysis can be used to determine the chemical composition of meteor plasma, which, in the case of the Perseid and Leonid meteors analysed in this study, corresponds to that of the C-group of chondrites.

Imaging the density distributions at the regional scale using full waveform and gravity data inversion - Application to the Pyrenees

NASA Astrophysics Data System (ADS)

Martin, Roland; Chevrot, Sébastien; Wang, Yi; Spangenberg, Hannah; Goubet, Marie; Monteiller, Vadim; Komatitsch, Dimitri; Seoane, Lucia; Dufréchou, Grégory

2017-04-01

We present a hybrid inversion method that allows us to image density distributions at the regional scale using both seismic and gravity data. One main goal is to obtain densities and seismic wave velocities (P and S) in the lithosphere with a fine resolution to get important constraints on the mineralogic composition and thermal state of the lithosphere. In the context of the Pyrenees (located between Spain and France), accurate Vp and Vs seismic velocity models are computed first on a 3D spectral element grid at the scale of the Pyrenees by inverting teleseismic full waveforms. In a second step, Vp velocities are mapped to densities using empirical relations to build an a priori density model. BGI and BRGM Bouguer gravity anomaly data sets are then inverted on the same 3D spectral element grid as the Vp model at a resolution of 1-2 km by using high-order numerical integration formulae. Solutions are compared to those obtained using classical semi-analytical techniques. This procedure opens the possibility to invert both teleseismic and gravity data on the same finite-element grid. It can handle topography of the free surface in the same spectral-element distorted mesh that is used to solve the wave equation, without performing extra interpolations between different grids and models. WGS84 curvature, SRTM or ETOPO1 topographies are used.

SEM-EDS-Based Elemental Identification on the Enamel Surface after the Completion of Orthodontic Treatment: In Vitro Studies

PubMed Central

Seeliger, Julia; Lipski, Mariusz; Wójcicka, Anna; Gedrange, Tomasz; Woźniak, Krzysztof

2016-01-01

Braces as foreign bodies in the mouth carry a risk of side effects and toxicity to the human body. This article presents the results indicating the possible toxic effects of tools used for cleaning the enamel after the completion of orthodontic treatment. The studies were carried out in vitro. The procedure of enamel etching, bonding orthodontic metal brackets, and enamel cleaning after their removal was performed under laboratory conditions. The enamel microstructure and elements present on its surface were evaluated using the scanning electron microscope (SEM). Silicon and aluminium were found in addition to the tooth building elements. PMID:27766265

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, Thomas Martin; Patton, Bruce W.; Weber, Charles F.

The primary goal of this project is to evaluate x-ray spectra generated within a scanning electron microscope (SEM) to determine elemental composition of small samples. This will be accomplished by performing Monte Carlo simulations of the electron and photon interactions in the sample and in the x-ray detector. The elemental inventories will be determined by an inverse process that progressively reduces the difference between the measured and simulated x-ray spectra by iteratively adjusting composition and geometric variables in the computational model. The intended benefit of this work will be to develop a method to perform quantitative analysis on substandard samplesmore » (heterogeneous phases, rough surfaces, small sizes, etc.) without involving standard elemental samples or empirical matrix corrections (i.e., true standardless quantitative analysis).« less

Micron-scale roughness of volcanic surfaces from thermal infrared spectroscopy and scanning electron microscopy

NASA Astrophysics Data System (ADS)

Carter, Adam J.; Ramsey, Michael S.; Durant, Adam J.; Skilling, Ian P.; Wolfe, Amy

2009-02-01

Textural characteristics of recently emplaced volcanic materials provide information on the degassing history, volatile content, and future explosive activity of volcanoes. Thermal infrared (TIR) remote sensing has been used to derive the micron-scale roughness (i.e., surface vesicularity) of lavas using a two-component (glass plus blackbody) spectral deconvolution model. We apply and test this approach on TIR data of pyroclastic flow (PF) deposits for the first time. Samples from two PF deposits (January 2005: block-rich and March 2000: ash-rich) were collected at Bezymianny Volcano (Russia) and analyzed using (1) TIR emission spectroscopy, (2) scanning electron microscope (SEM)-derived roughness (profiling), (3) SEM-derived surface vesicularity (imaging), and (4) thin section observations. Results from SEM roughness (0.9-2.8 μm) and SEM vesicularity (18-26%) showed a positive correlation. These were compared to the deconvolution results from the laboratory and spaceborne spectra, as well as to field-derived percentages of the block and ash. The spaceborne results were within 5% of the laboratory results and showed a positive correlation. However, a negative correlation between the SEM and spectral results was observed and was likely due to a combination of factors; an incorrect glass end-member, particle size effects, and subsequent weathering/reworking of the PF deposits. Despite these differences, this work shows that microscopic textural heterogeneities on PF deposits can be detected with TIR remote sensing using a technique similar to that used for lavas, but the results must be carefully interpreted. If applied correctly, it could be an important tool to map recent PF deposits and infer the causative eruption style/mechanism.

Hamiltonian Monte Carlo Inversion of Seismic Sources in Complex Media

NASA Astrophysics Data System (ADS)

Fichtner, A.; Simutė, S.

2017-12-01

We present a probabilistic seismic source inversion method that properly accounts for 3D heterogeneous Earth structure and provides full uncertainty information on the timing, location and mechanism of the event. Our method rests on two essential elements: (1) reciprocity and spectral-element simulations in complex media, and (2) Hamiltonian Monte Carlo sampling that requires only a small amount of test models. Using spectral-element simulations of 3D, visco-elastic, anisotropic wave propagation, we precompute a data base of the strain tensor in time and space by placing sources at the positions of receivers. Exploiting reciprocity, this receiver-side strain data base can be used to promptly compute synthetic seismograms at the receiver locations for any hypothetical source within the volume of interest. The rapid solution of the forward problem enables a Bayesian solution of the inverse problem. For this, we developed a variant of Hamiltonian Monte Carlo (HMC) sampling. Taking advantage of easily computable derivatives, HMC converges to the posterior probability density with orders of magnitude less samples than derivative-free Monte Carlo methods. (Exact numbers depend on observational errors and the quality of the prior). We apply our method to the Japanese Islands region where we previously constrained 3D structure of the crust and upper mantle using full-waveform inversion with a minimum period of around 15 s.

Design of near-field irregular diffractive optical elements by use of a multiresolution direct binary search method.

PubMed

Li, Jia-Han; Webb, Kevin J; Burke, Gerald J; White, Daniel A; Thompson, Charles A

2006-05-01

A multiresolution direct binary search iterative procedure is used to design small dielectric irregular diffractive optical elements that have subwavelength features and achieve near-field focusing below the diffraction limit. Designs with a single focus or with two foci, depending on wavelength or polarization, illustrate the possible functionalities available from the large number of degrees of freedom. These examples suggest that the concept of such elements may find applications in near-field lithography, wavelength-division multiplexing, spectral analysis, and polarization beam splitters.

An adaptive demodulation approach for bearing fault detection based on adaptive wavelet filtering and spectral subtraction

NASA Astrophysics Data System (ADS)

Zhang, Yan; Tang, Baoping; Liu, Ziran; Chen, Rengxiang

2016-02-01

Fault diagnosis of rolling element bearings is important for improving mechanical system reliability and performance. Vibration signals contain a wealth of complex information useful for state monitoring and fault diagnosis. However, any fault-related impulses in the original signal are often severely tainted by various noises and the interfering vibrations caused by other machine elements. Narrow-band amplitude demodulation has been an effective technique to detect bearing faults by identifying bearing fault characteristic frequencies. To achieve this, the key step is to remove the corrupting noise and interference, and to enhance the weak signatures of the bearing fault. In this paper, a new method based on adaptive wavelet filtering and spectral subtraction is proposed for fault diagnosis in bearings. First, to eliminate the frequency associated with interfering vibrations, the vibration signal is bandpass filtered with a Morlet wavelet filter whose parameters (i.e. center frequency and bandwidth) are selected in separate steps. An alternative and efficient method of determining the center frequency is proposed that utilizes the statistical information contained in the production functions (PFs). The bandwidth parameter is optimized using a local ‘greedy’ scheme along with Shannon wavelet entropy criterion. Then, to further reduce the residual in-band noise in the filtered signal, a spectral subtraction procedure is elaborated after wavelet filtering. Instead of resorting to a reference signal as in the majority of papers in the literature, the new method estimates the power spectral density of the in-band noise from the associated PF. The effectiveness of the proposed method is validated using simulated data, test rig data, and vibration data recorded from the transmission system of a helicopter. The experimental results and comparisons with other methods indicate that the proposed method is an effective approach to detecting the fault-related impulses hidden in vibration signals and performs well for bearing fault diagnosis.

Method and apparatus for simultaneously measuring a plurality of spectral wavelengths present in electromagnetic radiation

DOEpatents

Buican, Tudor N.; Martin, John C.

1990-01-01

An apparatus and method simultaneously measures a plurality of spectral wavelengths present in electromagnetic radiation. A modulatable birefringent optical element is employed to divide a polarized light beam into two components, thereby producing a phase difference in two resulting light beams such that the two beams can be made to interfere with one another when recombined, the interference pattern providing the wavelength information required for the analysis of the incident light. The interferometer thus created performs in a similar manner to a Michelson interferometer, but with no moving parts, and with a resolution dependent on the degree of phase shift introduced by the modulator.

Potentiating the antibacterial effect of silver nanospheres by surface-capping with chlorhexidine gluconate

NASA Astrophysics Data System (ADS)

Priyadarshini, Balasankar Meera; Fawzy, Amr S.

2017-04-01

In this work, the commercial polyvinylpyrrolidone (PVP)-capped silver nanospheres (Ag-NSP) were surface decorated with chlorhexidine gluconate (CHXg) for potentiating the antibacterial properties of Ag-NSP. Different formulations of CHXg-loaded Ag-NSP (Ag-NSP/CHXg) were prepared by varying the incubation times (0.5, 1.5, and 3 h). A thorough characterization of Ag-NSP/CHXg nanospheres has been carried out by dynamic light scattering (DLS), transmission electron microscopy (TEM), energy-dispersive surface elemental composition spectral analysis (SEM/EDX), Fourier transform infrared spectroscopy (FTIR), percentage (%) CHXg loading efficiency (LE), in vitro CHXg and Ag+ ion release, antibacterial/biofilm inhibition assay, and human mesenchymal stem cells (hMSCs) cytotoxicity evaluation. DLS measured nanospheres to be <160 nm and indicated that CHXg treatment drastically shifted the surface charge from negative to high positive values, with homogenous distribution. TEM revealed spherical Ag-NSP/CHXg nanospheres with a clearly visible surface coating of CHXg. FTIR confirmed association of CHXg with Ag-NSP nanospheres, whereas SEM/EDX data verified presence of spectral peaks specific to silver (Ag), CHXg, and PVP. The %LE gradually increased with increasing incubation times. In vitro CHXg release exhibited a bi-phasic fashion showing maximum release of 74.83 ± 20.67% from Ag-NSP/CHXg-3h at 14 days. A slow release of Ag+ ions was detected; however, the surface decoration of Ag-NSP substantially hampered/restricted the liberation of ions. Agar well diffusion, MTS (3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium), and crystal violet assay suggested good antibacterial/antibiofilm activity of Ag-NSP/CHXg that correlated with the increasing %LE of nanospheres. hMSCs cytotoxicity study showed low toxicity properties of all nanosphere formulations, except for Ag-NSP/CHXg-3h, affecting the cell viability at all proposed concentrations and exposure time points. CHXg accentuated the antibacterial properties of Ag-NSP.

A facile thermal decomposition route to synthesise CoFe2O4 nanostructures

NASA Astrophysics Data System (ADS)

Kalpanadevi, K.; Sinduja, C. R.; Manimekalai, R.

2014-01-01

The synthesis of CoFe2O4 nanoparticles has been achieved by a simple thermal decomposition method from an inorganic precursor, cobalt ferrous cinnamate hydrazinate (CoFe2(cin)3(N2H4)3) which was obtained by a novel precipitation method from the corresponding metal salts, cinnamic acid and hydrazine hydrate. The precursor was characterized by hydrazine and metal analyses, infrared spectral analysis and thermo gravimetric analysis. Under appropriate annealing, CoFe2(cin)3(N2H4)3 yielded CoFe2O4 nanoparticles, which were characterized for their size and structure using X-Ray diffraction (XRD), high resolution transmission electron microscopic (HRTEM), selected area electron diffraction (SAED) and scanning electron microscopic (SEM) techniques.

3D airborne EM modeling based on the spectral-element time-domain (SETD) method

NASA Astrophysics Data System (ADS)

Cao, X.; Yin, C.; Huang, X.; Liu, Y.; Zhang, B., Sr.; Cai, J.; Liu, L.

2017-12-01

In the field of 3D airborne electromagnetic (AEM) modeling, both finite-difference time-domain (FDTD) method and finite-element time-domain (FETD) method have limitations that FDTD method depends too much on the grids and time steps, while FETD requires large number of grids for complex structures. We propose a time-domain spectral-element (SETD) method based on GLL interpolation basis functions for spatial discretization and Backward Euler (BE) technique for time discretization. The spectral-element method is based on a weighted residual technique with polynomials as vector basis functions. It can contribute to an accurate result by increasing the order of polynomials and suppressing spurious solution. BE method is a stable tine discretization technique that has no limitation on time steps and can guarantee a higher accuracy during the iteration process. To minimize the non-zero number of sparse matrix and obtain a diagonal mass matrix, we apply the reduced order integral technique. A direct solver with its speed independent of the condition number is adopted for quickly solving the large-scale sparse linear equations system. To check the accuracy of our SETD algorithm, we compare our results with semi-analytical solutions for a three-layered earth model within the time lapse 10-6-10-2s for different physical meshes and SE orders. The results show that the relative errors for magnetic field B and magnetic induction are both around 3-5%. Further we calculate AEM responses for an AEM system over a 3D earth model in Figure 1. From numerical experiments for both 1D and 3D model, we draw the conclusions that: 1) SETD can deliver an accurate results for both dB/dt and B; 2) increasing SE order improves the modeling accuracy for early to middle time channels when the EM field diffuses fast so the high-order SE can model the detailed variation; 3) at very late time channels, increasing SE order has little improvement on modeling accuracy, but the time interval plays important roles. This research is supported by Key Program of National Natural Science Foundation of China (41530320), China Natural Science Foundation for Young Scientists (41404093), and Key National Research Project of China (2016YFC0303100, 2017YFC0601900). Figure 1: (a) AEM system over a 3D earth model; (b) magnetic field Bz; (c) magnetic induction dBz/dt.

Phase characteristics of rare earth elements in metallic fuel for a sodium-cooled fast reactor by injection casting

NASA Astrophysics Data System (ADS)

Kuk, Seoung Woo; Kim, Ki Hwan; Kim, Jong Hwan; Song, Hoon; Oh, Seok Jin; Park, Jeong-Yong; Lee, Chan Bock; Youn, Young-Sang; Kim, Jong-Yun

2017-04-01

Uranium-zirconium-rare earth (U-Zr-RE) fuel slugs for a sodium-cooled fast reactor were manufactured using a modified injection casting method, and investigated with respect to their uniformity, distribution, composition, and phase behavior according to RE content. Nd, Ce, Pr, and La were chosen as four representative lanthanide elements because they are considered to be major RE components of fuel ingots after pyroprocessing. Immiscible layers were found on the top layers of the melt-residue commensurate with higher fuel slug RE content. Scanning electron microscopy-energy-dispersive X-ray spectroscopy (SEM-EDS) data showed that RE elements in the melt-residue were distributed uniformly throughout the fuel slugs. RE element agglomeration did not contaminate the fuel slugs but strongly affected the RE content of the slugs.

Development and Evaluation of a Hydrostatic Dynamical Core Using the Spectral Element/Discontinuous Galerkin Methods

DTIC Science & Technology

2014-04-01

The CG and DG horizontal discretization employs high-order nodal basis functions associated with Lagrange polynomials based on Gauss-Lobatto- Legendre ...and DG horizontal discretization employs high-order nodal basis functions 29 associated with Lagrange polynomials based on Gauss-Lobatto- Legendre ...Inside 235 each element we build ( 1)N + Gauss-Lobatto- Legendre (GLL) quadrature points, where N 236 indicate the polynomial order of the basis

Least-squares Legendre spectral element solutions to sound propagation problems.

PubMed

Lin, W H

2001-02-01

This paper presents a novel algorithm and numerical results of sound wave propagation. The method is based on a least-squares Legendre spectral element approach for spatial discretization and the Crank-Nicolson [Proc. Cambridge Philos. Soc. 43, 50-67 (1947)] and Adams-Bashforth [D. Gottlieb and S. A. Orszag, Numerical Analysis of Spectral Methods: Theory and Applications (CBMS-NSF Monograph, Siam 1977)] schemes for temporal discretization to solve the linearized acoustic field equations for sound propagation. Two types of NASA Computational Aeroacoustics (CAA) Workshop benchmark problems [ICASE/LaRC Workshop on Benchmark Problems in Computational Aeroacoustics, edited by J. C. Hardin, J. R. Ristorcelli, and C. K. W. Tam, NASA Conference Publication 3300, 1995a] are considered: a narrow Gaussian sound wave propagating in a one-dimensional space without flows, and the reflection of a two-dimensional acoustic pulse off a rigid wall in the presence of a uniform flow of Mach 0.5 in a semi-infinite space. The first problem was used to examine the numerical dispersion and dissipation characteristics of the proposed algorithm. The second problem was to demonstrate the capability of the algorithm in treating sound propagation in a flow. Comparisons were made of the computed results with analytical results and results obtained by other methods. It is shown that all results computed by the present method are in good agreement with the analytical solutions and results of the first problem agree very well with those predicted by other schemes.

Spectral characterization, cyclic voltammetry, morphology, biological activities and DNA cleaving studies of amino acid Schiff base metal(II) complexes

NASA Astrophysics Data System (ADS)

Neelakantan, M. A.; Rusalraj, F.; Dharmaraja, J.; Johnsonraja, S.; Jeyakumar, T.; Sankaranarayana Pillai, M.

2008-12-01

Metal complexes are synthesized with Schiff bases derived from o-phthalaldehyde (opa) and amino acids viz., glycine (gly) L-alanine (ala), L-phenylalanine (pal). Metal ions coordinate in a tetradentate or hexadentate manner with these N 2O 2 donor ligands, which are characterized by elemental analysis, molar conductance, magnetic moments, IR, electronic, 1H NMR and EPR spectral studies. The elemental analysis suggests the stoichiometry to be 1:1 (metal:ligand). Based on EPR studies, spin-Hamiltonian and bonding parameters have been calculated. The g-values calculated for copper complexes at 300 K and in frozen DMSO (77 K) indicate the presence of the unpaired electron in the d orbital. The evaluated metal-ligand bonding parameters showed strong in-plane σ- and π-bonding. X-ray diffraction (XRD) and scanning electron micrography (SEM) analysis provide the crystalline nature and the morphology of the metal complexes. The cyclic voltammograms of the Cu(II)/Mn(II)/VO(II) complexes investigated in DMSO solution exhibit metal centered electroactivity in the potential range -1.5 to +1.5 V. The electrochemical data obtained for Cu(II) complexes explains the change of structural arrangement of the ligand around Cu(II) ions. The biological activity of the complexes has been tested on eight bacteria and three fungi. Cu(II) and Ni(II) complexes show an increased activity in comparison to the controls. The metal complexes of opapal Schiff base were evaluated for their DNA cleaving activities with calf-thymus DNA (CT DNA) under aerobic conditions. Cu(II) and VO(II) complexes show more pronounced activity in presence of the oxidant.

Using SEM-EDX and ICP-OES to investigate the elemental composition of green macroalga Vaucheria sessilis.

PubMed

Michalak, Izabela; Marycz, Krzysztof; Basińska, Katarzyna; Chojnacka, Katarzyna

2014-01-01

The biomass of Vaucheria sessilis forms algal mats in many freshwaters. There is a need to find the method of algal biomass utilization. Vaucheria sessilis is a rich source of micro- and macronutrients and can be used as a soil amendment. In the paper, the elemental composition of enriched, via bioaccumulation process, macroalga was investigated. For this purpose, two independent techniques were used: scanning electron microscopy with an energy dispersive X-ray analytical system (SEMEDX) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The biomass was exposed to two microelemental solutions, with Cu(II) and Zn(II) ions. After two weeks of the experiment, macroalga accumulated 98.5 mg of Zn(II) ions in 1 g of dry biomass and 68.9 mg g(-1) of Cu(II) ions. Micrographs performed by SEM proved that bioaccumulation occurred. Metal ions were bound on the surface and in the interior of cells. Mappings of all cations showed that in the case of the surface of biomass (biosorption), the elements constituted aggregations and in the case of the cross section (bioaccumulation) they were evenly distributed. The algal biomass with permanently bound microelements can find an application in many branches of the industry (feed, natural fertilizers, etc.).

Using SEM-EDX and ICP-OES to Investigate the Elemental Composition of Green Macroalga Vaucheria sessilis

PubMed Central

Michalak, Izabela; Marycz, Krzysztof; Basińska, Katarzyna; Chojnacka, Katarzyna

2014-01-01

The biomass of Vaucheria sessilis forms algal mats in many freshwaters. There is a need to find the method of algal biomass utilization. Vaucheria sessilis is a rich source of micro- and macronutrients and can be used as a soil amendment. In the paper, the elemental composition of enriched, via bioaccumulation process, macroalga was investigated. For this purpose, two independent techniques were used: scanning electron microscopy with an energy dispersive X-ray analytical system (SEMEDX) and inductively coupled plasma optical emission spectroscopy (ICP-OES). The biomass was exposed to two microelemental solutions, with Cu(II) and Zn(II) ions. After two weeks of the experiment, macroalga accumulated 98.5 mg of Zn(II) ions in 1 g of dry biomass and 68.9 mg g−1 of Cu(II) ions. Micrographs performed by SEM proved that bioaccumulation occurred. Metal ions were bound on the surface and in the interior of cells. Mappings of all cations showed that in the case of the surface of biomass (biosorption), the elements constituted aggregations and in the case of the cross section (bioaccumulation) they were evenly distributed. The algal biomass with permanently bound microelements can find an application in many branches of the industry (feed, natural fertilizers, etc.). PMID:25180212

Application of the finite-element method and the eigenmode expansion method to investigate the periodic and spectral characteristic of discrete phase-shift fiber Bragg grating

NASA Astrophysics Data System (ADS)

He, Yue-Jing; Hung, Wei-Chih; Syu, Cheng-Jyun

2017-12-01

The finite-element method (FEM) and eigenmode expansion method (EEM) were adopted to analyze the guided modes and spectrum of phase-shift fiber Bragg grating at five phase-shift degrees (including zero, 1/4π, 1/2π, 3/4π, and π). In previous studies on optical fiber grating, conventional coupled-mode theory was crucial. This theory contains abstruse knowledge about physics and complex computational processes, and thus is challenging for users. Therefore, a numerical simulation method was coupled with a simple and rigorous design procedure to help beginners and users to overcome difficulty in entering the field; in addition, graphical simulation results were presented. To reduce the difference between the simulated context and the actual context, a perfectly matched layer and perfectly reflecting boundary were added to the FEM and the EEM. When the FEM was used for grid cutting, the object meshing method and the boundary meshing method proposed in this study were used to effectively enhance computational accuracy and substantially reduce the time required for simulation. In summary, users can use the simulation results in this study to easily and rapidly design an optical fiber communication system and optical sensors with spectral characteristics.

High precision computing with charge domain devices and a pseudo-spectral method therefor

NASA Technical Reports Server (NTRS)

Barhen, Jacob (Inventor); Toomarian, Nikzad (Inventor); Fijany, Amir (Inventor); Zak, Michail (Inventor)

1997-01-01

The present invention enhances the bit resolution of a CCD/CID MVM processor by storing each bit of each matrix element as a separate CCD charge packet. The bits of each input vector are separately multiplied by each bit of each matrix element in massive parallelism and the resulting products are combined appropriately to synthesize the correct product. In another aspect of the invention, such arrays are employed in a pseudo-spectral method of the invention, in which partial differential equations are solved by expressing each derivative analytically as matrices, and the state function is updated at each computation cycle by multiplying it by the matrices. The matrices are treated as synaptic arrays of a neural network and the state function vector elements are treated as neurons. In a further aspect of the invention, moving target detection is performed by driving the soliton equation with a vector of detector outputs. The neural architecture consists of two synaptic arrays corresponding to the two differential terms of the soliton-equation and an adder connected to the output thereof and to the output of the detector array to drive the soliton equation.

Three-dimensional mapping of soil chemical characteristics at micrometric scale: Statistical prediction by combining 2D SEM-EDX data and 3D X-ray computed micro-tomographic images

NASA Astrophysics Data System (ADS)

Hapca, Simona

2015-04-01

Many soil properties and functions emerge from interactions of physical, chemical and biological processes at microscopic scales, which can be understood only by integrating techniques that traditionally are developed within separate disciplines. While recent advances in imaging techniques, such as X-ray computed tomography (X-ray CT), offer the possibility to reconstruct the 3D physical structure at fine resolutions, for the distribution of chemicals in soil, existing methods, based on scanning electron microscope (SEM) and energy dispersive X-ray detection (EDX), allow for characterization of the chemical composition only on 2D surfaces. At present, direct 3D measurement techniques are still lacking, sequential sectioning of soils, followed by 2D mapping of chemical elements and interpolation to 3D, being an alternative which is explored in this study. Specifically, we develop an integrated experimental and theoretical framework which combines 3D X-ray CT imaging technique with 2D SEM-EDX and use spatial statistics methods to map the chemical composition of soil in 3D. The procedure involves three stages 1) scanning a resin impregnated soil cube by X-ray CT, followed by precision cutting to produce parallel thin slices, the surfaces of which are scanned by SEM-EDX, 2) alignment of the 2D chemical maps within the internal 3D structure of the soil cube, and 3) development, of spatial statistics methods to predict the chemical composition of 3D soil based on the observed 2D chemical and 3D physical data. Specifically, three statistical models consisting of a regression tree, a regression tree kriging and cokriging model were used to predict the 3D spatial distribution of carbon, silicon, iron and oxygen in soil, these chemical elements showing a good spatial agreement between the X-ray grayscale intensities and the corresponding 2D SEM-EDX data. Due to the spatial correlation between the physical and chemical data, the regression-tree model showed a great potential in predicting chemical composition in particular for iron, which is generally sparsely distributed in soil. For carbon, silicon and oxygen, which are more densely distributed, the additional kriging of the regression tree residuals improved significantly the prediction, whereas prediction based on co-kriging was less consistent across replicates, underperforming regression-tree kriging. The present study shows a great potential in integrating geo-statistical methods with imaging techniques to unveil the 3D chemical structure of soil at very fine scales, the framework being suitable to be further applied to other types of imaging data such as images of biological thin sections for characterization of microbial distribution. Key words: X-ray CT, SEM-EDX, segmentation techniques, spatial correlation, 3D soil images, 2D chemical maps.

Simulation of heat and mass transfer in turbulent channel flow using the spectral-element method: effect of spatial resolution

NASA Astrophysics Data System (ADS)

Ryzhenkov, V.; Ivashchenko, V.; Vinuesa, R.; Mullyadzhanov, R.

2016-10-01

We use the open-source code nek5000 to assess the accuracy of high-order spectral element large-eddy simulations (LES) of a turbulent channel flow depending on the spatial resolution compared to the direct numerical simulation (DNS). The Reynolds number Re = 6800 is considered based on the bulk velocity and half-width of the channel. The filtered governing equations are closed with the dynamic Smagorinsky model for subgrid stresses and heat flux. The results show very good agreement between LES and DNS for time-averaged velocity and temperature profiles and their fluctuations. Even the coarse LES grid which contains around 30 times less points than the DNS one provided predictions of the friction velocity within 2.0% accuracy interval.

Numerical investigation of the spreading of self-excited stratified jets

NASA Technical Reports Server (NTRS)

Batcho, P. F.; Karniadakis, G. E.; Orszag, S. A.

1990-01-01

The structure and evolution of self-excited subsonic periodic arrays of jets of constant and variable density are studied using spectral-element direct numerical simulations. The governing equation of motion is presented, and a method based on spectral element discretizations appropriate for simulating arbitrarily complex geometry jets and large density variations for subsonic flows is developed. Variable density fields are found to be more unstable than the corresponding uniform density fields with much higher rms values; as a result, their spreading is also considerably larger. There is a dramatic increase in spreading after a few pairings occur. Findings presented for low and high side-momentum flux reveal a shifting of the origin of instability from the near-field to the far-field, respectively, and suggest possible routes of stabilization.

Multi-Gas Sensor

NASA Technical Reports Server (NTRS)

Sachse, Glenn W. (Inventor); Wang, Liang-Guo (Inventor); LeBel, Peter J. (Inventor); Steele, Tommy C. (Inventor); Rana, Mauro (Inventor)

1999-01-01

A multi-gas sensor is provided which modulates a polarized light beam over a broadband of wavelengths between two alternating orthogonal polarization components. The two orthogonal polarization components of the polarization modulated beam are directed along two distinct optical paths. At least one optical path contains one or more spectral discrimination element, with each spectral discrimination element having spectral absorption features of one or more gases of interest being measured. The two optical paths then intersect, and one orthogonal component of the intersected components is transmitted and the other orthogonal component is reflected. The combined polarization modulated beam is partitioned into one or more smaller spectral regions of interest where one or more gases of interest has an absorption band. The difference in intensity between the two orthogonal polarization components is then determined in each partitioned spectral region of interest as an indication of the spectral emission/absorption of the light beam by the gases of interest in the measurement path. The spectral emission/absorption is indicative of the concentration of the one or more gases of interest in the measurement path. More specifically, one embodiment of the present invention is a gas filter correlation radiometer which comprises a polarizer, a polarization modulator, a polarization beam splitter, a beam combiner, wavelength partitioning element, and detection element. The gases of interest are measured simultaneously and, further, can be measured independently or non-independently. Furthermore, optical or electronic element are provided to balance optical intensities between the two optical paths.

High-resolution CASSINI-VIMS mosaics of Titan and the icy Saturnian satellites

USGS Publications Warehouse

Jaumann, R.; Stephan, K.; Brown, R.H.; Buratti, B.J.; Clark, R.N.; McCord, T.B.; Coradini, A.; Capaccioni, F.; Filacchione, G.; Cerroni, P.; Baines, K.H.; Bellucci, G.; Bibring, J.-P.; Combes, M.; Cruikshank, D.P.; Drossart, P.; Formisano, V.; Langevin, Y.; Matson, D.L.; Nelson, R.M.; Nicholson, P.D.; Sicardy, B.; Sotin, Christophe; Soderbloom, L.A.; Griffith, C.; Matz, K.-D.; Roatsch, Th.; Scholten, F.; Porco, C.C.

2006-01-01

The Visual Infrared Mapping Spectrometer (VIMS) onboard the CASSINI spacecraft obtained new spectral data of the icy satellites of Saturn after its arrival at Saturn in June 2004. VIMS operates in a spectral range from 0.35 to 5.2 ??m, generating image cubes in which each pixel represents a spectrum consisting of 352 contiguous wavebands. As an imaging spectrometer VIMS combines the characteristics of both a spectrometer and an imaging instrument. This makes it possible to analyze the spectrum of each pixel separately and to map the spectral characteristics spatially, which is important to study the relationships between spectral information and geological and geomorphologic surface features. The spatial analysis of the spectral data requires the determination of the exact geographic position of each pixel on the specific surface and that all 352 spectral elements of each pixel show the same region of the target. We developed a method to reproject each pixel geometrically and to convert the spectral data into map projected image cubes. This method can also be applied to mosaic different VIMS observations. Based on these mosaics, maps of the spectral properties for each Saturnian satellite can be derived and attributed to geographic positions as well as to geological and geomorphologic surface features. These map-projected mosaics are the basis for all further investigations. ?? 2006 Elsevier Ltd. All rights reserved.

Simulations of Ground Motion in Southern California based upon the Spectral-Element Method

NASA Astrophysics Data System (ADS)

Tromp, J.; Komatitsch, D.; Liu, Q.

2003-12-01

We use the spectral-element method to simulate ground motion generated by recent well-recorded small earthquakes in Southern California. Simulations are performed using a new sedimentary basin model that is constrained by hundreds of petroleum industry well logs and more than twenty thousand kilometers of seismic reflection profiles. The numerical simulations account for 3D variations of seismic wave speeds and density, topography and bathymetry, and attenuation. Simulations for several small recent events demonstrate that the combination of a detailed sedimentary basin model and an accurate numerical technique facilitates the simulation of ground motion at periods of 2 seconds and longer inside the Los Angeles basin and 6 seconds and longer elsewhere. Peak ground displacement, velocity and acceleration maps illustrate that significant amplification occurs in the basin. Centroid-Moment Tensor mechanisms are obtained based upon Pnl and surface waveforms and numerically calculated 3D Frechet derivatives. We use a combination of waveform and waveform-envelope misfit criteria, and facilitate pure double-couple or zero-trace moment-tensor inversions.

Automatic Detection and Recognition of Craters Based on the Spectral Features of Lunar Rocks and Minerals

NASA Astrophysics Data System (ADS)

Ye, L.; Xu, X.; Luan, D.; Jiang, W.; Kang, Z.

2017-07-01

Crater-detection approaches can be divided into four categories: manual recognition, shape-profile fitting algorithms, machine-learning methods and geological information-based analysis using terrain and spectral data. The mainstream method is Shape-profile fitting algorithms. Many scholars throughout the world use the illumination gradient information to fit standard circles by least square method. Although this method has achieved good results, it is difficult to identify the craters with poor "visibility", complex structure and composition. Moreover, the accuracy of recognition is difficult to be improved due to the multiple solutions and noise interference. Aiming at the problem, we propose a method for the automatic extraction of impact craters based on spectral characteristics of the moon rocks and minerals: 1) Under the condition of sunlight, the impact craters are extracted from MI by condition matching and the positions as well as diameters of the craters are obtained. 2) Regolith is spilled while lunar is impacted and one of the elements of lunar regolith is iron. Therefore, incorrectly extracted impact craters can be removed by judging whether the crater contains "non iron" element. 3) Craters which are extracted correctly, are divided into two types: simple type and complex type according to their diameters. 4) Get the information of titanium and match the titanium distribution of the complex craters with normal distribution curve, then calculate the goodness of fit and set the threshold. The complex craters can be divided into two types: normal distribution curve type of titanium and non normal distribution curve type of titanium. We validated our proposed method with MI acquired by SELENE. Experimental results demonstrate that the proposed method has good performance in the test area.

Trace Elemental Imaging of Rare Earth Elements Discriminates Tissues at Microscale in Flat Fossils

PubMed Central

Gueriau, Pierre; Mocuta, Cristian; Dutheil, Didier B.; Cohen, Serge X.; Thiaudière, Dominique; Charbonnier, Sylvain; Clément, Gaël; Bertrand, Loïc

2014-01-01

The interpretation of flattened fossils remains a major challenge due to compression of their complex anatomies during fossilization, making critical anatomical features invisible or hardly discernible. Key features are often hidden under greatly preserved decay prone tissues, or an unpreparable sedimentary matrix. A method offering access to such anatomical features is of paramount interest to resolve taxonomic affinities and to study fossils after a least possible invasive preparation. Unfortunately, the widely-used X-ray micro-computed tomography, for visualizing hidden or internal structures of a broad range of fossils, is generally inapplicable to flattened specimens, due to the very high differential absorbance in distinct directions. Here we show that synchrotron X-ray fluorescence spectral raster-scanning coupled to spectral decomposition or a much faster Kullback-Leibler divergence based statistical analysis provides microscale visualization of tissues. We imaged exceptionally well-preserved fossils from the Late Cretaceous without needing any prior delicate preparation. The contrasting elemental distributions greatly improved the discrimination of skeletal elements material from both the sedimentary matrix and fossilized soft tissues. Aside content in alkaline earth elements and phosphorus, a critical parameter for tissue discrimination is the distinct amounts of rare earth elements. Local quantification of rare earths may open new avenues for fossil description but also in paleoenvironmental and taphonomical studies. PMID:24489809

Trace elemental imaging of rare earth elements discriminates tissues at microscale in flat fossils.

PubMed

Gueriau, Pierre; Mocuta, Cristian; Dutheil, Didier B; Cohen, Serge X; Thiaudière, Dominique; Charbonnier, Sylvain; Clément, Gaël; Bertrand, Loïc

2014-01-01

The interpretation of flattened fossils remains a major challenge due to compression of their complex anatomies during fossilization, making critical anatomical features invisible or hardly discernible. Key features are often hidden under greatly preserved decay prone tissues, or an unpreparable sedimentary matrix. A method offering access to such anatomical features is of paramount interest to resolve taxonomic affinities and to study fossils after a least possible invasive preparation. Unfortunately, the widely-used X-ray micro-computed tomography, for visualizing hidden or internal structures of a broad range of fossils, is generally inapplicable to flattened specimens, due to the very high differential absorbance in distinct directions. Here we show that synchrotron X-ray fluorescence spectral raster-scanning coupled to spectral decomposition or a much faster Kullback-Leibler divergence based statistical analysis provides microscale visualization of tissues. We imaged exceptionally well-preserved fossils from the Late Cretaceous without needing any prior delicate preparation. The contrasting elemental distributions greatly improved the discrimination of skeletal elements material from both the sedimentary matrix and fossilized soft tissues. Aside content in alkaline earth elements and phosphorus, a critical parameter for tissue discrimination is the distinct amounts of rare earth elements. Local quantification of rare earths may open new avenues for fossil description but also in paleoenvironmental and taphonomical studies.

On spectral synthesis on element-wise compact Abelian groups

NASA Astrophysics Data System (ADS)

Platonov, S. S.

2015-08-01

Let G be an arbitrary locally compact Abelian group and let C(G) be the space of all continuous complex-valued functions on G. A closed linear subspace \\mathscr H\\subseteq C(G) is referred to as an invariant subspace if it is invariant with respect to the shifts τ_y\\colon f(x)\\mapsto f(xy), y\\in G. By definition, an invariant subspace \\mathscr H\\subseteq C(G) admits strict spectral synthesis if \\mathscr H coincides with the closure in C(G) of the linear span of all characters of G belonging to \\mathscr H. We say that strict spectral synthesis holds in the space C(G) on G if every invariant subspace \\mathscr H\\subseteq C(G) admits strict spectral synthesis. An element x of a topological group G is said to be compact if x is contained in some compact subgroup of G. A group G is said to be element-wise compact if all elements of G are compact. The main result of the paper is the proof of the fact that strict spectral synthesis holds in C(G) for a locally compact Abelian group G if and only if G is element-wise compact. Bibliography: 14 titles.

Microscale reconstruction of biogeochemical substrates using multimode X-ray tomography and scanning electron microscopy

NASA Astrophysics Data System (ADS)

Miller, M.; Miller, E.; Liu, J.; Lund, R. M.; McKinley, J. P.

2012-12-01

X-ray computed tomography (CT), scanning electron microscopy (SEM), electron microprobe analysis (EMP), and computational image analysis are mature technologies used in many disciplines. Cross-discipline combination of these imaging and image-analysis technologies is the focus of this research, which uses laboratory and light-source resources in an iterative approach. The objective is to produce images across length scales, taking advantage of instrumentation that is optimized for each scale, and to unify them into a single compositional reconstruction. Initially, CT images will be collected using both x-ray absorption and differential phase contrast modes. The imaged sample will then be physically sectioned and the exposed surfaces imaged and characterized via SEM/EMP. The voxel slice corresponding to the physical sample surface will be isolated computationally, and the volumetric data will be combined with two-dimensional SEM images along CT image planes. This registration step will take advantage of the similarity between the X-ray absorption (CT) and backscattered electron (SEM) coefficients (both proportional to average atomic number in the interrogated volume) as well as the images' mutual information. Elemental and solid-phase distributions on the exposed surfaces, co-registered with SEM images, will be mapped using EMP. The solid-phase distribution will be propagated into three-dimensional space using computational methods relying on the estimation of compositional distributions derived from the CT data. If necessary, solid-phase and pore-space boundaries will be resolved using X-ray differential phase contrast tomography, x-ray fluorescence tomography, and absorption-edge microtomography at a light-source facility. Computational methods will be developed to register and model images collected over varying scales and data types. Image resolution, physically and dynamically, is qualitatively different for the electron microscopy and CT methodologies. Routine CT images are resolved at 10-20 μm, while SEM images are resolved at 10-20 nm; grayscale values vary according to collection time and instrument sensitivity; and compositional sensitivities via EMP vary in interrogation volume and scale. We have so far successfully registered SEM imagery within a multimode tomographic volume and have used standard methods to isolate pore space within the volume. We are developing a three-dimensional solid-phase identification and registration method that is constrained by bulk-sample X-ray diffraction Rietveld refinements. The results of this project will prove useful in fields that require the fine-scale definition of solid-phase distributions and relationships, and could replace more inefficient methods for making these estimations.

High-order Discontinuous Element-based Schemes for the Inviscid Shallow Water Equations: Spectral Multidomain Penalty and Discontinuous Galerkin Methods

DTIC Science & Technology

2011-07-19

multidomain methods, Discontinuous Galerkin methods, interfacial treatment ∗ Jorge A. Escobar-Vargas, School of Civil and Environmental Engineering, Cornell...Click here to view linked References 1. Introduction Geophysical flows exhibit a complex structure and dynamics over a broad range of scales that...hyperbolic problems, where the interfacial patching was implemented with an upwind scheme based on a modified method of characteristics. This approach

Surface Functionalization of Diamond Films by Photoreaction of Elemental Sulfur and Their Surface Properties

NASA Astrophysics Data System (ADS)

Nakamura, Takako; Ohana, Tsuguyori

2012-08-01

A useful method for direct sulfurization of diamond film surfaces by photoreaction of elemental sulfur was developed. The introduction of thiol groups onto the diamond films was confirmed by X-ray photoelectron spectroscopy (XPS), Fourier transform infrared spectroscopy (FT-IR), Raman spectroscopy, and scanning electron microscopy (SEM) analyses. The sulfur-modified diamond films attached to gold nanoparticles by self-assembly. The degrees of thiol group introduction and gold attachment were found to depend on photoirradiation time by monitoring by XPS. The gold-modified diamond film was observed to act as a surface-enhanced Raman scattering substrate for measurement of picric acid.

A Parameter-Free Dynamic Alternative to Hyper-Viscosity for Coupled Transport Equations: Application to the Simulation of 3D Squall Lines Using Spectral Elements

DTIC Science & Technology

2015-06-04

that involve physics coupling with phase change in the simulation of 3D deep convection. We show that the VMS+DC approach is a robust technique that can...of 3D deep convection. We show that the VMS+DC approach is a robust technique that can damp the high order modes characterizing the spectral element...of Spectral Elements, Deep Convection, Kessler Microphysics Preprint J. Comput. Phys. 283 (2015) 360-373 June 4, 2015 1. Introduction In the field of

Quantitative determination of low-Z elements in single atmospheric particles on boron substrates by automated scanning electron microscopy-energy-dispersive X-ray spectrometry.

PubMed

Choël, Marie; Deboudt, Karine; Osán, János; Flament, Pascal; Van Grieken, René

2005-09-01

Atmospheric aerosols consist of a complex heterogeneous mixture of particles. Single-particle analysis techniques are known to provide unique information on the size-resolved chemical composition of aerosols. A scanning electron microscope (SEM) combined with a thin-window energy-dispersive X-ray (EDX) detector enables the morphological and elemental analysis of single particles down to 0.1 microm with a detection limit of 1-10 wt %, low-Z elements included. To obtain data statistically representative of the air masses sampled, a computer-controlled procedure can be implemented in order to run hundreds of single-particle analyses (typically 1000-2000) automatically in a relatively short period of time (generally 4-8 h, depending on the setup and on the particle loading). However, automated particle analysis by SEM-EDX raises two practical challenges: the accuracy of the particle recognition and the reliability of the quantitative analysis, especially for micrometer-sized particles with low atomic number contents. Since low-Z analysis is hampered by the use of traditional polycarbonate membranes, an alternate choice of substrate is a prerequisite. In this work, boron is being studied as a promising material for particle microanalysis. As EDX is generally said to probe a volume of approximately 1 microm3, geometry effects arise from the finite size of microparticles. These particle geometry effects must be corrected by means of a robust concentration calculation procedure. Conventional quantitative methods developed for bulk samples generate elemental concentrations considerably in error when applied to microparticles. A new methodology for particle microanalysis, combining the use of boron as the substrate material and a reverse Monte Carlo quantitative program, was tested on standard particles ranging from 0.25 to 10 microm. We demonstrate that the quantitative determination of low-Z elements in microparticles is achievable and that highly accurate results can be obtained using the automatic data processing described here compared to conventional methods.

A High Order, Locally-Adaptive Method for the Navier-Stokes Equations

NASA Astrophysics Data System (ADS)

Chan, Daniel

1998-11-01

I have extended the FOSLS method of Cai, Manteuffel and McCormick (1997) and implemented it within the framework of a spectral element formulation using the Legendre polynomial basis function. The FOSLS method solves the Navier-Stokes equations as a system of coupled first-order equations and provides the ellipticity that is needed for fast iterative matrix solvers like multigrid to operate efficiently. Each element is treated as an object and its properties are self-contained. Only C^0 continuity is imposed across element interfaces; this design allows local grid refinement and coarsening without the burden of having an elaborate data structure, since only information along element boundaries is needed. With the FORTRAN 90 programming environment, I can maintain a high computational efficiency by employing a hybrid parallel processing model. The OpenMP directives provides parallelism in the loop level which is executed in a shared-memory SMP and the MPI protocol allows the distribution of elements to a cluster of SMP's connected via a commodity network. This talk will provide timing results and a comparison with a second order finite difference method.

Full spectral optical modeling of quantum-dot-converted elements for light-emitting diodes considering reabsorption and reemission effect.

PubMed

Li, Jia-Sheng; Tang, Yong; Li, Zong-Tao; Cao, Kai; Yan, Cai-Man; Ding, Xin-Rui

2018-07-20

Quantum dots (QDs) have attracted significant attention in light-emitting diode (LED) illumination and display applications, owing to their high quantum yield and unique spectral properties. However, an effective optical model of quantum-dot-converted elements (QDCEs) for (LEDs) that entirely considers the reabsorption and reemission effect is lacking. This suppresses the design of QDCE structures and further investigation of light-extraction/conversion mechanisms in QDCEs. In this paper, we proposed a full spectral optical modeling method for QDCEs packaged in LEDs, entirely considering the reabsorption and reemission effect, and its results are compared with traditional models without reabsorption or reemission. The comparisons indicate that the QDCE absorption loss of QD emission light is a major factor decreasing the radiant efficacy of LEDs, which should be considered when designing QDCE structures. According to the measurements of fabricated LEDs, only calculation results that entirely consider reabsorption and reemission show good agreement with experimental radiant efficacy, spectra, and peak wavelength at the same down-conversion efficiency. Consequently, it is highly expected that QDCE will be modeled considering the reabsorption and reemission events. This study provides a simple and effective modeling method for QDCEs, which shows great potential for their structure designs and fundamental investigations.

Full spectral optical modeling of quantum-dot-converted elements for light-emitting diodes considering reabsorption and reemission effect

NASA Astrophysics Data System (ADS)

Li, Jia-Sheng; Tang, Yong; Li, Zong-Tao; Cao, Kai; Yan, Cai-Man; Ding, Xin-Rui

2018-07-01

Quantum dots (QDs) have attracted significant attention in light-emitting diode (LED) illumination and display applications, owing to their high quantum yield and unique spectral properties. However, an effective optical model of quantum-dot-converted elements (QDCEs) for (LEDs) that entirely considers the reabsorption and reemission effect is lacking. This suppresses the design of QDCE structures and further investigation of light-extraction/conversion mechanisms in QDCEs. In this paper, we proposed a full spectral optical modeling method for QDCEs packaged in LEDs, entirely considering the reabsorption and reemission effect, and its results are compared with traditional models without reabsorption or reemission. The comparisons indicate that the QDCE absorption loss of QD emission light is a major factor decreasing the radiant efficacy of LEDs, which should be considered when designing QDCE structures. According to the measurements of fabricated LEDs, only calculation results that entirely consider reabsorption and reemission show good agreement with experimental radiant efficacy, spectra, and peak wavelength at the same down-conversion efficiency. Consequently, it is highly expected that QDCE will be modeled considering the reabsorption and reemission events. This study provides a simple and effective modeling method for QDCEs, which shows great potential for their structure designs and fundamental investigations.

The Impact of Varying the Physics Grid Resolution Relative to the Dynamical Core Resolution in CAM-SE-CSLAM

NASA Astrophysics Data System (ADS)

Herrington, A. R.; Lauritzen, P. H.; Reed, K. A.

2017-12-01

The spectral element dynamical core of the Community Atmosphere Model (CAM) has recently been coupled to an approximately isotropic, finite-volume grid per implementation of the conservative semi-Lagrangian multi-tracer transport scheme (CAM-SE-CSLAM; Lauritzen et al. 2017). In this framework, the semi-Lagrangian transport of tracers are computed on the finite-volume grid, while the adiabatic dynamics are solved using the spectral element grid. The physical parameterizations are evaluated on the finite-volume grid, as opposed to the unevenly spaced Gauss-Lobatto-Legendre nodes of the spectral element grid. Computing the physics on the finite-volume grid reduces numerical artifacts such as grid imprinting, possibly because the forcing terms are no longer computed at element boundaries where the resolved dynamics are least smooth. The separation of the physics grid and the dynamics grid allows for a unique opportunity to understand the resolution sensitivity in CAM-SE-CSLAM. The observed large sensitivity of CAM to horizontal resolution is a poorly understood impediment to improved simulations of regional climate using global, variable resolution grids. Here, a series of idealized moist simulations are presented in which the finite-volume grid resolution is varied relative to the spectral element grid resolution in CAM-SE-CSLAM. The simulations are carried out at multiple spectral element grid resolutions, in part to provide a companion set of simulations, in which the spectral element grid resolution is varied relative to the finite-volume grid resolution, but more generally to understand if the sensitivity to the finite-volume grid resolution is consistent across a wider spectrum of resolved scales. Results are interpreted in the context of prior ideas regarding resolution sensitivity of global atmospheric models.

[Ultra-Fine Pressed Powder Pellet Sample Preparation XRF Determination of Multi-Elements and Carbon Dioxide in Carbonate].

PubMed

Li, Xiao-li; An, Shu-qing; Xu, Tie-min; Liu, Yi-bo; Zhang, Li-juan; Zeng, Jiang-ping; Wang, Na

2015-06-01

The main analysis error of pressed powder pellet of carbonate comes from particle-size effect and mineral effect. So in the article in order to eliminate the particle-size effect, the ultrafine pressed powder pellet sample preparation is used to the determination of multi-elements and carbon-dioxide in carbonate. To prepare the ultrafine powder the FRITSCH planetary Micro Mill machine and tungsten carbide media is utilized. To conquer the conglomeration during the process of grinding, the wet grinding is preferred. The surface morphology of the pellet is more smooth and neat, the Compton scatter effect is reduced with the decrease in particle size. The intensity of the spectral line is varied with the change of the particle size, generally the intensity of the spectral line is increased with the decrease in the particle size. But when the particle size of more than one component of the material is decreased, the intensity of the spectral line may increase for S, Si, Mg, or decrease for Ca, Al, Ti, K, which depend on the respective mass absorption coefficient . The change of the composition of the phase with milling is also researched. The incident depth of respective element is given from theoretical calculation. When the sample is grounded to the particle size of less than the penetration depth of all the analyte, the effect of the particle size on the intensity of the spectral line is much reduced. In the experiment, when grounded the sample to less than 8 μm(d95), the particle-size effect is much eliminated, with the correction method of theoretical α coefficient and the empirical coefficient, 14 major, minor and trace element in the carbonate can be determined accurately. And the precision of the method is much improved with RSD < 2%, except Na2O. Carbon is ultra-light element, the fluorescence yield is low and the interference is serious. With the manual multi-layer crystal PX4, coarse collimator, empirical correction, X-ray spectrometer can be used to determine the carbon dioxide in the carbonate quantitatively. The intensity of the carbon is increase with the times of the measurement and the time delay even the pellet is stored in the dessicator. So employing the latest pressed powder pellet is suggested.

Time-dependent jet flow and noise computations

NASA Technical Reports Server (NTRS)

Berman, C. H.; Ramos, J. I.; Karniadakis, G. E.; Orszag, S. A.

1990-01-01

Methods for computing jet turbulence noise based on the time-dependent solution of Lighthill's (1952) differential equation are demonstrated. A key element in this approach is a flow code for solving the time-dependent Navier-Stokes equations at relatively high Reynolds numbers. Jet flow results at Re = 10,000 are presented here. This code combines a computationally efficient spectral element technique and a new self-consistent turbulence subgrid model to supply values for Lighthill's turbulence noise source tensor.

Modeling of the Through-the-Thickness Electric Potentials of a Piezoelectric Bimorph Using the Spectral Element Method

PubMed Central

Dong, Xingjian; Peng, Zhike; Hua, Hongxing; Meng, Guang

2014-01-01

An efficient spectral element (SE) with electric potential degrees of freedom (DOF) is proposed to investigate the static electromechanical responses of a piezoelectric bimorph for its actuator and sensor functions. A sublayer model based on the piecewise linear approximation for the electric potential is used to describe the nonlinear distribution of electric potential through the thickness of the piezoelectric layers. An equivalent single layer (ESL) model based on first-order shear deformation theory (FSDT) is used to describe the displacement field. The Legendre orthogonal polynomials of order 5 are used in the element interpolation functions. The validity and the capability of the present SE model for investigation of global and local responses of the piezoelectric bimorph are confirmed by comparing the present solutions with those obtained from coupled 3-D finite element (FE) analysis. It is shown that, without introducing any higher-order electric potential assumptions, the current method can accurately describe the distribution of the electric potential across the thickness even for a rather thick bimorph. It is revealed that the effect of electric potential is significant when the bimorph is used as sensor while the effect is insignificant when the bimorph is used as actuator, and therefore, the present study may provide a better understanding of the nonlinear induced electric potential for bimorph sensor and actuator. PMID:24561399

Characterization of perovskite film prepared by pulsed laser deposition on ferritic stainless steel using microscopic and optical methods

NASA Astrophysics Data System (ADS)

Durda, E.; Jaglarz, J.; Kąc, S.; Przybylski, K.; El Kouari, Y.

2016-06-01

The perovskite La0.6Sr0.4Co0.2Fe0.8O3-δ (LSCF48) film was deposited on Crofer 22 APU ferritic stainless steel by pulsed laser deposition (PLD). Morphological studies of the sample were performed using scanning electron microscopy (SEM) and atomic force microscopy (AFM). Information about film thickness and surface topography of the film and the steel substrate were obtained using following optical methods: spectroscopic ellipsometry (SE), bidirectional reflection distribution function (BRDF) and total integrated reflectometry (TIS). In particular, the BRDF study, being complementary to atomic force microscopy, yielded information about surface topography. Using the previously mentioned methods, the following statistic surface parameters were determined: root-mean square (rms) roughness and autocorrelation length by determining the power spectral density (PSD) function of surface irregularities.

Turbidimetric method for the determination of particle sizes in polypropylene/clay-composites during extrusion.

PubMed

Becker, Wolfgang; Guschin, Viktor; Mikonsaari, Irma; Teipel, Ulrich; Kölle, Sabine; Weiss, Patrick

2017-01-01

Nanocomposites with polypropylene as matrix material and nanoclay as filler were produced in a double twin screw extruder. The extrusion was monitored with a spectrometer in the visible and near-infrared spectral region with a diode array spectrometer. Two probes were installed at the end at the extruder die and the transmission spectra were measured during the extrusion. After measuring the transmission spectra and converting into turbidity units, the particle distribution density was calculated via numerical linear equation system. The distribution density function shows either a bimodal or mono modal shape in dependence of the processing parameters like screw speed, dosage, and concentration of the nanoclays. The method was verified with SEM measurements which yield comparable results. The method is suitable for industrial in-line processing monitoring of particle radii and dispersion process, respectively.

Simulations of Seismic Wave Propagation on Mars

NASA Astrophysics Data System (ADS)

Bozdağ, Ebru; Ruan, Youyi; Metthez, Nathan; Khan, Amir; Leng, Kuangdai; van Driel, Martin; Wieczorek, Mark; Rivoldini, Attilio; Larmat, Carène S.; Giardini, Domenico; Tromp, Jeroen; Lognonné, Philippe; Banerdt, Bruce W.

2017-10-01

We present global and regional synthetic seismograms computed for 1D and 3D Mars models based on the spectral-element method. For global simulations, we implemented a radially-symmetric Mars model with a 110 km thick crust (Sohl and Spohn in J. Geophys. Res., Planets 102(E1):1613-1635, 1997). For this 1D model, we successfully benchmarked the 3D seismic wave propagation solver SPECFEM3D_GLOBE (Komatitsch and Tromp in Geophys. J. Int. 149(2):390-412, 2002a; 150(1):303-318, 2002b) against the 2D axisymmetric wave propagation solver AxiSEM (Nissen-Meyer et al. in Solid Earth 5(1):425-445, 2014) at periods down to 10 s. We also present higher-resolution body-wave simulations with AxiSEM down to 1 s in a model with a more complex 1D crust, revealing wave propagation effects that would have been difficult to interpret based on ray theory. For 3D global simulations based on SPECFEM3D_GLOBE, we superimposed 3D crustal thickness variations capturing the distinct crustal dichotomy between Mars' northern and southern hemispheres, as well as topography, ellipticity, gravity, and rotation. The global simulations clearly indicate that the 3D crust speeds up body waves compared to the reference 1D model, whereas it significantly changes surface waveforms and their dispersive character depending on its thickness. We also perform regional simulations with the solver SES3D (Fichtner et al. Geophys. J. Int. 179:1703-1725, 2009) based on 3D crustal models derived from surface composition, thereby addressing the effects of various distinct crustal features down to 2 s. The regional simulations confirm the strong effects of crustal variations on waveforms. We conclude that the numerical tools are ready for examining more scenarios, including various other seismic models and sources.

Solution of the neutronics code dynamic benchmark by finite element method

NASA Astrophysics Data System (ADS)

Avvakumov, A. V.; Vabishchevich, P. N.; Vasilev, A. O.; Strizhov, V. F.

2016-10-01

The objective is to analyze the dynamic benchmark developed by Atomic Energy Research for the verification of best-estimate neutronics codes. The benchmark scenario includes asymmetrical ejection of a control rod in a water-type hexagonal reactor at hot zero power. A simple Doppler feedback mechanism assuming adiabatic fuel temperature heating is proposed. The finite element method on triangular calculation grids is used to solve the three-dimensional neutron kinetics problem. The software has been developed using the engineering and scientific calculation library FEniCS. The matrix spectral problem is solved using the scalable and flexible toolkit SLEPc. The solution accuracy of the dynamic benchmark is analyzed by condensing calculation grid and varying degree of finite elements.

Compressive Classification for TEM-EELS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hao, Weituo; Stevens, Andrew; Yang, Hao

Electron energy loss spectroscopy (EELS) is typically conducted in STEM mode with a spectrometer, or in TEM mode with energy selction. These methods produce a 3D data set (x, y, energy). Some compressive sensing [1,2] and inpainting [3,4,5] approaches have been proposed for recovering a full set of spectra from compressed measurements. In many cases the final form of the spectral data is an elemental map (an image with channels corresponding to elements). This means that most of the collected data is unused or summarized. We propose a method to directly recover the elemental map with reduced dose and acquisitionmore » time. We have designed a new computational TEM sensor for compressive classification [6,7] of energy loss spectra called TEM-EELS.« less

Polymer monolithic capillary microextraction combined on-line with inductively coupled plasma MS for the determination of trace rare earth elements in biological samples.

PubMed

Zhang, Lin; Chen, Beibei; He, Man; Hu, Bin

2013-07-01

A rapid and sensitive method based on polymer monolithic capillary microextraction combined on-line with microconcentric nebulization inductively coupled plasma MS has been developed for the determination of trace/ultratrace rare earth elements in biological samples. For this purpose, the iminodiacetic acid modified poly(glycidyl methacrylate-trimethylolpropane trimethacrylate) monolithic capillary was prepared and characterized by SEM and FTIR spectroscopy. Factors affecting the extraction efficiency, such as sample pH, sample flow rate, sample/eluent volume, and coexisting ions were investigated in detail. Under the optimal conditions, the LODs for rare earth elements were in the range of 0.08 (Er) to 0.97 ng/L (Nd) with a sampling frequency of 8.5 h(-1), and the RSDs were between 1.5% (Sm) and 7.4% (Nd) (c = 20 ng/L, n = 7). The proposed method was successfully applied to the analysis of trace/ultratrace rare earth elements in human urine and serum samples, and the recoveries for the spiked samples were in the range of 82-105%. The developed method was simple, rapid, sensitive, and favorable for the analysis of trace/ultratrace rare earth elements in biological samples with limited sample volume. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Emission spectra of selected SSME elements and materials

NASA Technical Reports Server (NTRS)

Tejwani, Gopal D.; Vandyke, David B.; Bircher, Felix E.; Gardner, Donald G.; Chenevert, Donald J.

1992-01-01

Stennis Space Center (SSC) is pursuing the advancement of experimental techniques and theoretical developments in the field of plume spectroscopy for application to rocket development testing programs and engine health monitoring. Exhaust plume spectral data for the Space Shuttle Main Engine (SSME) are routinely acquired. The usefulness of this data depends upon qualitative and quantitative interpretation of spectral features and their correlation with the engine performance. A knowledge of the emission spectral characteristics of effluent materials in the exhaust plume is essential. A study of SSME critical components and their materials identified 30 elements and 53 materials whose engine exhaust plume spectral might be required. The most important were evaluated using SSC's Diagnostic Testbed Facility Thruster (DTFT), a 1200-lbf, liquid oxygen/gaseous hydrogen rocket engine which very nearly replicates the temperature and pressure conditions of the SSME exhaust plume in the first Mach diamond. This report presents the spectral data for the 10 most important elements and 27 most important materials which are strongly to moderately emitting in the DTFT exhaust plume. The covered spectral range is 300 to 426 nm and the spectral resolution is 0.25 nm. Spectral line identification information is provided and line interference effects are considered.

Experiments and Identification of the Unbalance of Aerostatic Guideways on the Micro-Scale

PubMed Central

Chen, Dongju; Bian, Yanhua; Fan, Jinwei

2014-01-01

In order to diagnose the unbalance of aerostatic guideways, displacement and acceleration sensors were used to measure the vibration signals of the unbalance of the aerostatic guideways caused by the gas fluctuation. The frequency characteristics for the unbalance of aerostatic guideways caused by gas fluctuation has been extracted from the measured signals by power spectral density, and the basic frequencies of the guideway system have been diagnosed according to spectral characteristics, in agreement with the results calculated by the corresponding motion equations and the finite element method. PMID:24603638

Shwirl: Meaningful coloring of spectral cube data with volume rendering

NASA Astrophysics Data System (ADS)

Vohl, Dany

2017-04-01

Shwirl visualizes spectral data cubes with meaningful coloring methods. The program has been developed to investigate transfer functions, which combines volumetric elements (or voxels) to set the color, and graphics shaders, functions used to compute several properties of the final image such as color, depth, and/or transparency, as enablers for scientific visualization of astronomical data. The program uses Astropy (ascl:1304.002) to handle FITS files and World Coordinate System, Qt (and PyQt) for the user interface, and VisPy, an object-oriented Python visualization library binding onto OpenGL.

A novel and compact spectral imaging system based on two curved prisms

NASA Astrophysics Data System (ADS)

Nie, Yunfeng; Bin, Xiangli; Zhou, Jinsong; Li, Yang

2013-09-01

As a novel detection approach which simultaneously acquires two-dimensional visual picture and one-dimensional spectral information, spectral imaging offers promising applications on biomedical imaging, conservation and identification of artworks, surveillance of food safety, and so forth. A novel moderate-resolution spectral imaging system consisting of merely two optical elements is illustrated in this paper. It can realize the function of a relay imaging system as well as a 10nm spectral resolution spectroscopy. Compared to conventional prismatic imaging spectrometers, this design is compact and concise with only two special curved prisms by utilizing two reflective surfaces. In contrast to spectral imagers based on diffractive grating, the usage of compound-prism possesses characteristics of higher energy utilization and wider free spectral range. The seidel aberration theory and dispersive principle of this special prism are analyzed at first. According to the results, the optical system of this design is simulated, and the performance evaluation including spot diagram, MTF and distortion, is presented. In the end, considering the difficulty and particularity of manufacture and alignment, an available method for fabrication and measurement is proposed.

Development of a method for the determination of caffeine anhydrate in various designed intact tablets [correction of tables] by near-infrared spectroscopy: a comparison between reflectance and transmittance technique.

PubMed

Ito, Masatomo; Suzuki, Tatsuya; Yada, Shuichi; Kusai, Akira; Nakagami, Hiroaki; Yonemochi, Etsuo; Terada, Katsuhide

2008-08-05

Using near-infrared (NIR) spectroscopy, an assay method which is not affected by such elements of tablet design as thickness, shape, embossing and scored line was developed. Tablets containing caffeine anhydrate were prepared by direct compression at various compression force levels using different shaped punches. NIR spectra were obtained from these intact tablets using the reflectance and transmittance techniques. A reference assay was performed by high-performance liquid chromatography (HPLC). Calibration models were generated by the partial least-squares (PLS) regression. Changes in the tablet thickness, shape, embossing and scored line caused NIR spectral changes in different ways, depending on the technique used. As a result, noticeable errors in drug content prediction occurred using calibration models generated according to the conventional method. On the other hand, when the various tablet design elements which caused the NIR spectral changes were included in the model, the prediction of the drug content in the tablets was scarcely affected by those elements when using either of the techniques. A comparison of these techniques resulted in higher predictability under the tablet design variations using the transmittance technique with preferable linearity and accuracy. This is probably attributed to the transmittance spectra which sensitively reflect the differences in tablet thickness or shape as a result of obtaining information inside the tablets.

Metal Complexes of a Novel Schiff Base Based on Penicillin: Characterization, Molecular Modeling, and Antibacterial Activity Study.

PubMed

Chaudhary, Narendra Kumar; Mishra, Parashuram

2017-01-01

A novel Schiff base ligand of type HL was prepared by the condensation of amoxicillin trihydrate and nicotinaldehyde. The metal complexes of Co +2 , Ni +2 , Cu +2 , and Zn +2 were characterized and investigated by physical and spectral techniques, namely, elemental analysis, melting point, conductivity, 1 H NMR, IR, UV-Vis spectra, ESR, SEM, and mass spectrometry measurements. They were further analyzed by thermal technique (TGA/DTA) to gain better insight about the thermal stability and kinetic properties of the complexes. Thermal data revealed high thermal stability and nonspontaneous nature of the decomposition steps. The Coats-Redfern method was applied to extract thermodynamic parameters to explain the kinetic behavior. The molar conductance values were relatively low, showing their nonelectrolytic nature. The powder XRD pattern revealed amorphous nature except copper complex (1c) that crystallized in the triclinic crystal system. The EPR study strongly recommends the tetrahedral geometry of 1c. The structure optimization by MM force field calculation through ArgusLab 4.0.1 software program supports the concerned geometry of the complexes. The in vitro antibacterial activity of all the compounds, at their two different concentrations, was screened against four bacterial pathogens, namely, E. coli, P. vulgaris, K. pneumoniae, and S. aureus, and showed better activity compared to parent drug and control drug.

Synthesis, Structural, DNA Binding and Cleavage Studies of Cu(II) Complexes Containing Benzothiazole Cored Schiff Bases.

PubMed

Tejaswi, Somapangu; Kumar, Marri Pradeep; Rambabu, Aveli; Vamsikrishna, Narendrula; Shivaraj

2016-11-01

Novel benzothiazole Schiff bases L 1 [1-((4,6-difluorobenzo[d]thiazol-2-ylimino)methyl) naphthalen-2-ol], L 2 [3-((4,6-difluorobenzo[d]thiazol-2-ylimino) methyl)benzene-1,2-diol], L 3 [2-((4,6-difluorobenzo[d]thiazol-2-ylimino)methyl)-5-methoxyphenol], L 4 [2-((4,6-difluorobenzo[d]thiazol-2-ylimino)methyl)-4-chlorophenol] and their binary Cu(II) complexes were synthesized. The structures of all the compounds have been discussed on the basis of elemental analysis, FT-IR, NMR, UV-Visible, ESI-Mass, TGA, ESR, SEM, powder XRD and magnetic moments. Based on the analytical and spectral data a square planar geometry has been assigned to all complexes in which the Schiff bases act as monobasic bidentate ligands, coordinating through the azomethine nitrogen and phenolic oxygen atom. DNA binding ability of these complexes was studied on CT-DNA by using UV-Vis absorption, fluorescence and viscometry. DNA cleavage ability of the complexes was examined on pBR322 DNA by using gel electrophoresis method. All the DNA binding studies reveal that they are good intercalators. The bioefficacy of the ligands and their complexes was examined against the growth of bacteria and fungi in vitro to evaluate their antimicrobial potential. The screening data revealed that the complexes showed more antimicrobial activity than the corresponding free ligands.

Wet-chemistry based selective coatings for concentrating solar power

NASA Astrophysics Data System (ADS)

Maimon, Eran; Kribus, Abraham; Flitsanov, Yuri; Shkolnik, Oleg; Feuermann, Daniel; Zwicker, Camille; Larush, Liraz; Mandler, Daniel; Magdassi, Shlomo

2013-09-01

Spectrally selective coatings are common in low and medium temperature solar applications from solar water heating collectors to parabolic trough absorber tubes. They are also an essential element for high efficiency in higher temperature Concentrating Solar Power (CSP) systems. Selective coatings for CSP are usually prepared using advanced expensive methods such as sputtering and vapor deposition. In this work, coatings were prepared using low-cost wet-chemistry methods. Solutions based on Alumina and Silica sol gel were prepared and then dispersed with black spinel pigments. The black dispersions were applied by spray/roll coating methods on stainless steel plates. The spectral emissivity of sample coatings was measured in the temperature range between 200 and 500°C, while the spectral absorptivity was measured at room temperature and 500°C. Emissivity at wavelengths of 0.4-1.7 μm was evaluated indirectly using multiple measurements of directional reflectivity. Emissivity at wavelengths 2-14 μm was measured directly using a broadband IR camera that acquires the radiation emitted from the sample, and a range of spectral filters. Emissivity measurement results for a range of coated samples will be presented, and the impact of coating thickness, pigment loading, and surface preparation will be discussed.

Brake Fluid Compatibility with Hardware

DTIC Science & Technology

2014-05-19

association or emblem usage considerations. All other legal considerations are the responsibility of the author and his/her/their employer(s...10 Figure 8. Backscatter SEM Image showing Elemental Analysis Scan Locations ....................... 11 Figure 9. Surface Scan jfs9176...Elemental Analysis .................................................................... 12 Figure 10. Particle Scan jfs9177 Elemental Analysis

Comparison of Fatigue Life Estimation Using Equivalent Linearization and Time Domain Simulation Methods

NASA Technical Reports Server (NTRS)

Mei, Chuh; Dhainaut, Jean-Michel

2000-01-01

The Monte Carlo simulation method in conjunction with the finite element large deflection modal formulation are used to estimate fatigue life of aircraft panels subjected to stationary Gaussian band-limited white-noise excitations. Ten loading cases varying from 106 dB to 160 dB OASPL with bandwidth 1024 Hz are considered. For each load case, response statistics are obtained from an ensemble of 10 response time histories. The finite element nonlinear modal procedure yields time histories, probability density functions (PDF), power spectral densities and higher statistical moments of the maximum deflection and stress/strain. The method of moments of PSD with Dirlik's approach is employed to estimate the panel fatigue life.

SEM/EDS and optical microscopy analyses of microplastics in ocean trawl and fish guts.

PubMed

Wang, Zhong-Min; Wagner, Jeff; Ghosal, Sutapa; Bedi, Gagandeep; Wall, Stephen

2017-12-15

Microplastic particles from Atlantic and Pacific Ocean trawls, lab-fed fish guts and ocean fish guts have been characterized using optical microscopy and SEM/EDS in terms of size, morphology, and chemistry. We assessed whether these measurements could serve as a rapid screening process for subsequent identification of the likely microplastic candidates by micro-spectroscopy. Optical microscopy enabled morphological classification of the types of particles or fibers present in the sample, as well as the quantification of particle size ranges and fiber lengths. SEM/EDS analysis was used to rule out non-plastic particles and screen the prepared samples for potential microplastic, based on their element signatures and surface characteristics. Chlorinated plastics such as polyvinyl chloride (PVC) could be easily identified with SEM/EDS due to their unique elemental signatures including chlorine, as could mineral species that are falsely identified as plastics by optical microscopy. Particle morphology determined by optical microscopy and SEM suggests the fish ingested particles contained both degradation fragments from larger plastic pieces and also manufactured microplastics. SEM images of microplastic particle surfaces revealed characteristic cracks consistent with environmental exposure, as well as pigment particles consistent with manufactured materials. Most of the microplastic surfaces in the fish guts and ocean trawls were covered with biofilms, radiolarians, and crustaceans. Many of the fish stomachs contained micro-shell pieces which visually resembled microplastics. Copyright © 2017 Elsevier B.V. All rights reserved.

Spectrally resolving and scattering-compensated x-ray luminescence/fluorescence computed tomography

PubMed Central

Cong, Wenxiang; Shen, Haiou; Wang, Ge

2011-01-01

The nanophosphors, or other similar materials, emit near-infrared (NIR) light upon x-ray excitation. They were designed as optical probes for in vivo visualization and analysis of molecular and cellular targets, pathways, and responses. Based on the previous work on x-ray fluorescence computed tomography (XFCT) and x-ray luminescence computed tomography (XLCT), here we propose a spectrally-resolving and scattering-compensated x-ray luminescence/fluorescence computed tomography (SXLCT or SXFCT) approach to quantify a spatial distribution of nanophosphors (other similar materials or chemical elements) within a biological object. In this paper, the x-ray scattering is taken into account in the reconstruction algorithm. The NIR scattering is described in the diffusion approximation model. Then, x-ray excitations are applied with different spectra, and NIR signals are measured in a spectrally resolving fashion. Finally, a linear relationship is established between the nanophosphor distribution and measured NIR data using the finite element method and inverted using the compressive sensing technique. The numerical simulation results demonstrate the feasibility and merits of the proposed approach. PMID:21721815

ICASE Semiannual Report, October 1, 1992 through March 31, 1993

DTIC Science & Technology

1993-06-01

NUMERICAL MATHEMATICS Saul Abarbanel Further results have been obtained regarding long time integration of high order compact finite difference schemes...overall accuracy. These problems are common to all numerical methods: finite differences , finite elements and spectral methods. It should be noted that...fourth order finite difference scheme. * In the same case, the D6 wavelets provide a sixth order finite difference , noncompact formula. * The wavelets

Extraction, characterization and antioxidant activities of Se-enriched tea polysaccharides.

PubMed

Wang, Yuanfeng; Li, Yongfu; Liu, Yangyang; Chen, Xueqing; Wei, Xinlin

2015-01-01

Se-polysaccharides from Se-enriched tea leaves were purified by DEAE-sepharose fast flow gel column (2.5×60cm) and three polysaccharide fractions (Se-TPS1, Se-TPS2, and Se-TPS3) were isolated and purified with yields of 6.5, 37.14, and 8.57%, respectively. The average sizes of Se-TPS1 and Se-TPS2 were determined by HPGPC system, with molecular weights of 1.1×10(5) and 2.4×10(5)Da, respectively. Se-TPS3 was a polysaccharide polymer with two peaks with molecular weights of 9.2×10(5) and 2.5×10(5)Da. Monosaccharide components analysis by ion chromatography revealed Se-polysaccharides were acidic polysaccharoses and different from each other in monosaccharide kinds and molar ratio. Elements of Se, C, H, N, S, and 14 kinds of mineral elements were analyzed by AFS, EA, and ICP-AES, respectively. Spectral analysis (IR and UV) indicated Se-polysaccharides were typical glycoproteins. Morphological analyses of the samples were determined by SEM and AFM. In addition, the DPPH and superoxide radicals scavenging activities were also discussed to assess antioxidant activities of the samples, and Se-polysaccharides showed higher antioxidant activities compared to the ordinary polysaccharides. Copyright © 2015 Elsevier B.V. All rights reserved.

Pretreatment and integrated analysis of spectral data reveal seaweed similarities based on chemical diversity.

PubMed

Wei, Feifei; Ito, Kengo; Sakata, Kenji; Date, Yasuhiro; Kikuchi, Jun

2015-03-03

Extracting useful information from high dimensionality and large data sets is a major challenge for data-driven approaches. The present study was aimed at developing novel integrated analytical strategies for comprehensively characterizing seaweed similarities based on chemical diversity. The chemical compositions of 107 seaweed and 2 seagrass samples were analyzed using multiple techniques, including Fourier transform infrared (FT-IR) and solid- and solution-state nuclear magnetic resonance (NMR) spectroscopy, thermogravimetry-differential thermal analysis (TG-DTA), inductively coupled plasma-optical emission spectrometry (ICP-OES), CHNS/O total elemental analysis, and isotope ratio mass spectrometry (IR-MS). The spectral data were preprocessed using non-negative matrix factorization (NMF) and NMF combined with multivariate curve resolution-alternating least-squares (MCR-ALS) methods in order to separate individual component information from the overlapping and/or broad spectral peaks. Integrated analysis of the preprocessed chemical data demonstrated distinct discrimination of differential seaweed species. Further network analysis revealed a close correlation between the heavy metal elements and characteristic components of brown algae, such as cellulose, alginic acid, and sulfated mucopolysaccharides, providing a componential basis for its metal-sorbing potential. These results suggest that this integrated analytical strategy is useful for extracting and identifying the chemical characteristics of diverse seaweeds based on large chemical data sets, particularly complicated overlapping spectral data.

Bioavailability assessment of toxic metals using the technique "acid-volatile sulfide (AVS)-simultaneously extracted metals (SEM)" in marine sediments collected in Todos os Santos Bay, Brazil.

PubMed

Silva, Jucelino B; Nascimento, Rodrigo A; de Oliva, Sergio T; de Oliveira, Olívia M C; Ferreira, Sergio L C

2015-10-01

This paper reports the bioavailability of the metals (cadmium, copper, zinc, lead, and nickel) in sediment samples collected in seven stations from the São Paulo Estuary, Todos os Santos Bay, Brazil. The bioavailability was determined by employing the technique "acid-volatile sulfide (AVS) and simultaneously extracted metal (SEM)". The elements cadmium, copper, lead, and zinc were determined using differential pulse anodic stripping voltammetry (DPASV), while nickel was quantified utilizing electrothermal atomic absorption spectrometry (ET AAS). The accuracy of these methods was confirmed using a certified reference material of estuarine sediment (NIST 1646). The sulfide was quantified using potentiometry with selective electrode and the organic matter determination employing an indirect volumetric method using potassium dichromate and iron(II) sulfate solutions. The bioavailability of the metals was estimated by relationship between the concentration of AVS and the sum of the concentrations of the simultaneously extracted metals (ΣSEM), considering a significant toxicity when (ΣSEM)/(AVS) is higher than 1. The bioavailability values in the seven stations studied varied from 0.93 to 1.31 (June, 2014) and from 0.34 to 0.58 (September, 2014). These results demonstrated a critical condition of toxicity (bioavailability >1) in six of the seven sediment samples collected during the rainy season (June, 2014). In the other period (September, 2014), the bioavailability was always lower than 1 for all sediment samples collected in the seven stations. The individual values of the concentrations of the five metals were compared with the parameters PEL (probable effects level) and TEL (threshold effects level), which are commonly employed for characterization of ecological risk in environmental systems. This comparison revealed that all metals have concentrations lower than the PEL and only zinc and lead in some stations have contents higher than the TEL. The bioavailability evaluation and the concentrations achieved for the five elements in the sediments samples analyzed demonstrated that the ecosystem studied does not present an environmental risk.

Element-specific spectral imaging of multiple contrast agents: a phantom study

NASA Astrophysics Data System (ADS)

Panta, R. K.; Bell, S. T.; Healy, J. L.; Aamir, R.; Bateman, C. J.; Moghiseh, M.; Butler, A. P. H.; Anderson, N. G.

2018-02-01

This work demonstrates the feasibility of simultaneous discrimination of multiple contrast agents based on their element-specific and energy-dependent X-ray attenuation properties using a pre-clinical photon-counting spectral CT. We used a photon-counting based pre-clinical spectral CT scanner with four energy thresholds to measure the X-ray attenuation properties of various concentrations of iodine (9, 18 and 36 mg/ml), gadolinium (2, 4 and 8 mg/ml) and gold (2, 4 and 8 mg/ml) based contrast agents, calcium chloride (140 and 280 mg/ml) and water. We evaluated the spectral imaging performances of different energy threshold schemes between 25 to 82 keV at 118 kVp, based on K-factor and signal-to-noise ratio and ranked them. K-factor was defined as the X-ray attenuation in the K-edge containing energy range divided by the X-ray attenuation in the preceding energy range, expressed as a percentage. We evaluated the effectiveness of the optimised energy selection to discriminate all three contrast agents in a phantom of 33 mm diameter. A photon-counting spectral CT using four energy thresholds of 27, 33, 49 and 81 keV at 118 kVp simultaneously discriminated three contrast agents based on iodine, gadolinium and gold at various concentrations using their K-edge and energy-dependent X-ray attenuation features in a single scan. A ranking method to evaluate spectral imaging performance enabled energy thresholds to be optimised to discriminate iodine, gadolinium and gold contrast agents in a single spectral CT scan. Simultaneous discrimination of multiple contrast agents in a single scan is likely to open up new possibilities of improving the accuracy of disease diagnosis by simultaneously imaging multiple bio-markers each labelled with a nano-contrast agent.

Determination of element composition and extraterrestrial material occurrence in moss and lichen samples from King George Island (Antarctica) using reactor neutron activation analysis and SEM microscopy.

PubMed

Mróz, Tomasz; Szufa, Katarzyna; Frontasyeva, Marina V; Tselmovich, Vladimir; Ostrovnaya, Tatiana; Kornaś, Andrzej; Olech, Maria A; Mietelski, Jerzy W; Brudecki, Kamil

2018-01-01

Seven lichens (Usnea antarctica and U. aurantiacoatra) and nine moss samples (Sanionia uncinata) collected in King George Island were analyzed using instrumental neutron activation analysis, and concentration of major and trace elements was calculated. For some elements, the concentrations observed in moss samples were higher than corresponding values reported from other sites in the Antarctica, but in the lichens, these were in the same range of concentrations. Scanning electron microscopy (SEM) and statistical analysis showed large influence of volcanic-origin particles. Also, the interplanetary cosmic particles (ICP) were observed in investigated samples, as mosses and lichens are good collectors of ICP and micrometeorites.

Aircraft Engine Noise Scattering By Fuselage and Wings: A Computational Approach

NASA Technical Reports Server (NTRS)

Stanescu, D.; Hussaini, M. Y.; Farassat, F.

2003-01-01

The paper presents a time-domain method for computation of sound radiation from aircraft engine sources to the far-field. The effects of nonuniform flow around the aircraft and scattering of sound by fuselage and wings are accounted for in the formulation. The approach is based on the discretization of the inviscid flow equations through a collocation form of the Discontinuous Galerkin spectral element method. An isoparametric representation of the underlying geometry is used in order to take full advantage of the spectral accuracy of the method. Large-scale computations are made possible by a parallel implementation based on message passing. Results obtained for radiation from an axisymmetric nacelle alone are compared with those obtained when the same nacelle is installed in a generic configuration, with and without a wing.

Aircraft Engine Noise Scattering by Fuselage and Wings: A Computational Approach

NASA Technical Reports Server (NTRS)

Stanescu, D.; Hussaini, M. Y.; Farassat, F.

2003-01-01

The paper presents a time-domain method for computation of sound radiation from aircraft engine sources to the far-field. The effects of nonuniform flow around the aircraft and scattering of sound by fuselage and wings are accounted for in the formulation. The approach is based on the discretization of the inviscid flow equations through a collocation form of the Discontinuous Galerkin spectral element method. An isoparametric representation of the underlying geometry is used in order to take full advantage of the spectral accuracy of the method. Large-scale computations are made possible by a parallel implementation based on message passing. Results obtained for radiation from an axisymmetric nacelle alone are compared with those obtained when the same nacelle is installed in a generic configuration, with and without a wing.

Enhancement of anticorrosion property of 304 stainless steel using silane coatings

NASA Astrophysics Data System (ADS)

Akhtar, Sultan; Matin, Asif; Madhan Kumar, A.; Ibrahim, Ahmed; Laoui, Tahar

2018-05-01

In the present work, silane coatings based on glycidoxypropyltrimethoxysilane/methyltrimethoxysilane (GPTMS/MTMS) and silica nanoparticles were prepared by a sol-gel method. A simple dip-coating method was applied for film deposition and the effect of immersion time and number of immersion cycles on corrosion behavior of 304 stainless steel (SS) was investigated. Scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM/EDS) was used to study the surface morphology and elemental composition of the modified surfaces. The corrosion behavior of the coated and uncoated SS substrates was studied by potentiodynamic polarization and electrochemical impedance spectroscopy in 0.6 M sodium chloride solution. Our results showed that the presence of coatings improved the anti-corrosion property of SS substrates. The coating with a dipping time of 10 min and 3 dipping cycles exhibited the best protection efficiency compared to other coatings and the uncoated substrate. SEM/EDS findings and contact angle measurements supported the conclusions drawn from the corrosion study.

Morphology and chemical composition of dentin in permanent first molars with the diagnose MIH.

PubMed

Heijs, Suzanne C B; Dietz, Wolfram; Norén, Jörgen G; Blanksma, Nynke G; Jälevik, Birgitta

2007-01-01

The purpose of this investigation was to study the morphology and distribution of some inorganic elements in dentin in first permanent molars from children with Molar-Incisor Hypomineralization (MIH). Sixty four tooth sections from thirty two children were examined in polarized light. Fifteen representative sections were selected for SEM/XRMA analysis; 5 were used for SEM analysis and 10 for XRMA analysis. No morphological changes in the dentin were revealed in polarized light microscopy (PLM). However, in all but two sections interglobular dentin was found. The SEM analyzes confirmed the findings of the PLM with no structural changes to be found in the dentin. The XRMA results showed a difference in the concentration of elements between dentin below normal and dentin below carious or hypomineralized enamel. Elements related to organic matter appeared with higher values in dentin below hypomineralized and carious enamel. The morphological and chemical findings in dentin below hypomineralized enamel imply that the odontoblasts are not affected in cases of MIH, but may be affected by hypocalcemia, reflected by the presence of interglobular dentin.

Temperature effects on cathodoluminescence of magnesite

NASA Astrophysics Data System (ADS)

Nishido, H.; Kusano, N.; Makio, M.; Ninagawa, K.

2011-12-01

Cathodoluminescence (CL), the light emission induced by electron irradiation, has been widely applied in mineralogical and petrological investigations, especially for carbonates. Magnesite belongs to the group of trigonal carbonates including various luminescent minerals, but its luminescence mechanism has scarcely investigated so far. In this study, we have characterized an emission center of CL and quantitatively evaluated temperature effects on CL of magnesite. A single crystal of magnesite from Brumado, Brazil was selected for CL measurements after carbon-coating on polished surface. Chemical analysis indicates manganese of 555 ppm and almost no rare earth elements in this sample. SEM-CL analysis was conducted usingan SEM (JEOL: JSM-5410) combined with a grating monochromator (Oxford: Mono CL2) to measure CL spectra ranging from 300 to 800 nm in 1 nm steps with a temperature controlled stage. The dispersed CL was collected by a photoncounting method using a photomultiplier tube (Hamamatsu: R2228) and converted to digital data. CL spectral analysis of magnesite at room temperature reveals a pronounced red emission (around 650 nm) assigned to an impurity center of divalent Mn as an activator, of which centered wavelength is appreciably larger than the value of calcite (620 nm). The wavelength of this emission is actually affected by the strength of crystal field around Mn ions, suggesting deferent ligand interaction between Ca-O (calcite) and Mg-O (magnesite). The intensity of a red emission decreases on heating above -100 degree C, and reaches minimum at around 50 degree C, and then increased with raising temperature up to 250 degree C. This behavior dose not follow usual thermal CL reduction derived from a temperature quenching theory based on an increase in the probability of non-radiative transition with the rise of temperature. A Gaussian curve fitting of CL spectral peak gives integrated intensity equivalent to emission efficiency for each peak at various temperatures. Arrhenius plots by assuming Mott-Seitz model result in activation energy (e), e: 0.10 ~ 0.09eV in the quenching process of CL intensity from -100 to 50 degree C and e: 0.11 ~ 0.08eV in the sensitizing process above 50 degree C. It suggests that the energy of non-radiative transition of the electrons from excited state to ground state might be transferred to lattice as a phonon in temperature quenching process between -100 and 50 degree C. On the other hand same amount of energy in temperature sensitizing process above 50 degree C was supplied by the lattice vibration. Such phenomenon has not been reported so far.

Predicting tidal currents in San Francisco Bay using a spectral model

USGS Publications Warehouse

Burau, Jon R.; Cheng, Ralph T.

1988-01-01

This paper describes the formulation of a spectral (or frequency based) model which solves the linearized shallow water equations. To account for highly variable basin bathymetry, spectral solutions are obtained using the finite element method which allows the strategic placement of the computation points in the specific areas of interest or in areas where the gradients of the dependent variables are expected to be large. Model results are compared with data using simple statistics to judge overall model performance in the San Francisco Bay estuary. Once the model is calibrated and verified, prediction of the tides and tidal currents in San Francisco Bay is accomplished by applying astronomical tides (harmonic constants deduced from field data) at the prediction time along the model boundaries.

Comparative analysis of textile metal threads from liturgical vestments and folk costumes in Croatia

NASA Astrophysics Data System (ADS)

Šimić, Kristina; Zamboni, Ivana; Fazinić, Stjepko; Mudronja, Domagoj; Sović, Lea; Gouasmia, Sabrina; Soljačić, Ivo

2018-02-01

Textile is essential for everyday life in all societies. It is used in clothes for protection and warmth but also to indicate class and position, show wealth and social status. Threads from precious metals have also been used in combination with fibres for decoration in order to create luxury fabrics for secular and religious elites. We performed elemental analysis of 17th to 20th century metal threads from various textile articles of liturgical vestments and festive folk costumes collected in the museums of northern, southern and central Croatian regions. In order to determine elemental concentrations in threads we performed comparative X-ray Spectroscopy measurements using: (i) Scanning Electron Microscopy with Energy Dispersive X-ray Spectroscopy (SEM-EDX) at the Faculty of Textile Technology, (ii) X-ray Fluorescence Spectroscopy (XRF) at the Croatian Conservation Institute and (iii) Particle Induced X-ray Spectroscopy (PIXE) at the Ruđer Bošković Institute Tandem Accelerator Facility using ion micro beam. Rutherford Backscattering Spectroscopy (RBS) was performed as well on selected samples. SEM-EDX investigations of cross-sections along with the surfaces were also performed. In this work we report and discuss the results obtained by the three X-ray methods and RBS for major (gold, silver, copper) and minor elements on different threads like stripes, wires and "srma" (metal thread wrapped around textile yarn).

Solid Lubricated Rolling Element Bearings

DTIC Science & Technology

1980-02-15

ball paths (as received), at various SEM magnifications and EDX scrutiny 17 i. ■.- ■■ ••.■■ ■? • r 8. TMI TiC/MoS^ sputtered...MoS? removed with Oakite 126 HD), at various SEM magmtications and EDX scrutiny 19 10. TMI TiC/MoS^ sputtered 52100 gyro bearing inner race...ball path (MoS^ removed with Oakite 126 HD), at various SEM magnifications and EDX scrutiny 20 11. TMI TiC/MoS^ sputtered 52100 gyro bearing

Prescriptive Statements and Educational Practice: What Can Structural Equation Modeling (SEM) Offer?

ERIC Educational Resources Information Center

Martin, Andrew J.

2011-01-01

Longitudinal structural equation modeling (SEM) can be a basis for making prescriptive statements on educational practice and offers yields over "traditional" statistical techniques under the general linear model. The extent to which prescriptive statements can be made will rely on the appropriate accommodation of key elements of research design,…

Spatial investigation of some uranium minerals using nuclear microprobe

NASA Astrophysics Data System (ADS)

Valter, Anton A.; Knight, Kim B.; Eremenko, Gelij K.; Magilin, Dmitry V.; Ponomarov, Artem A.; Pisansky, Anatoly I.; Romanenko, Alexander V.; Ponomarev, Alexander G.

2018-01-01

In this work, several individual grains of uranium minerals—uraninite with high content of Ca, Ca-rich boltwoodite, growths of uranophane with β-uranophane, and weeksite—from different uranium deposits were studied by a scanning nuclear microprobe. Particle-induced X-ray emission technique provided by the microprobe (µ-PIXE) was carried out to obtain a concentration and 2D distribution of elements in these minerals. In addition, energy dispersive X-ray spectrometry (SEM-EDS) provided by a scanning electron microscope was used. The types of minerals were determined by X-ray diffraction methods. Results of this study improved the understanding of trace elemental composition of the uranium minerals depending on their origin. Obtained signatures could be linked then to the sample provenance. Such data are important for nuclear forensics to identify the ore types and even specific ore bodies, when only small samples may be available for analysis. In this study, the µ-PIXE technique was used for obtaining the 2D distribution of trace elements that are not commonly measured by SEM-EDS at the relevant concentrations. The detected levels and precisions of elements determination by µ-PIXE were also defined. Using µ-PIXE, several micro mineral inclusions such as phosphate with high level of V and Si were identified. The age of the uranium minerals was estimated due to a significant content of radiogenic Pb that provides an additional parameter for determination of the main attributive characteristics of the minerals. This work also showed that due to its high elemental sensitivity the nuclear microprobe can be a new analytical tool for creating a nuclear forensic database from the known uranium deposits and a subsequent analysis of the intercepted illicit materials.

Spatial investigation of some uranium minerals using nuclear microprobe

NASA Astrophysics Data System (ADS)

Valter, Anton A.; Knight, Kim B.; Eremenko, Gelij K.; Magilin, Dmitry V.; Ponomarov, Artem A.; Pisansky, Anatoly I.; Romanenko, Alexander V.; Ponomarev, Alexander G.

2018-06-01

In this work, several individual grains of uranium minerals—uraninite with high content of Ca, Ca-rich boltwoodite, growths of uranophane with β-uranophane, and weeksite—from different uranium deposits were studied by a scanning nuclear microprobe. Particle-induced X-ray emission technique provided by the microprobe (µ-PIXE) was carried out to obtain a concentration and 2D distribution of elements in these minerals. In addition, energy dispersive X-ray spectrometry (SEM-EDS) provided by a scanning electron microscope was used. The types of minerals were determined by X-ray diffraction methods. Results of this study improved the understanding of trace elemental composition of the uranium minerals depending on their origin. Obtained signatures could be linked then to the sample provenance. Such data are important for nuclear forensics to identify the ore types and even specific ore bodies, when only small samples may be available for analysis. In this study, the µ-PIXE technique was used for obtaining the 2D distribution of trace elements that are not commonly measured by SEM-EDS at the relevant concentrations. The detected levels and precisions of elements determination by µ-PIXE were also defined. Using µ-PIXE, several micro mineral inclusions such as phosphate with high level of V and Si were identified. The age of the uranium minerals was estimated due to a significant content of radiogenic Pb that provides an additional parameter for determination of the main attributive characteristics of the minerals. This work also showed that due to its high elemental sensitivity the nuclear microprobe can be a new analytical tool for creating a nuclear forensic database from the known uranium deposits and a subsequent analysis of the intercepted illicit materials.

3D chemical imaging in the laboratory by hyperspectral X-ray computed tomography

PubMed Central

Egan, C. K.; Jacques, S. D. M.; Wilson, M. D.; Veale, M. C.; Seller, P.; Beale, A. M.; Pattrick, R. A. D.; Withers, P. J.; Cernik, R. J.

2015-01-01

We report the development of laboratory based hyperspectral X-ray computed tomography which allows the internal elemental chemistry of an object to be reconstructed and visualised in three dimensions. The method employs a spectroscopic X-ray imaging detector with sufficient energy resolution to distinguish individual elemental absorption edges. Elemental distributions can then be made by K-edge subtraction, or alternatively by voxel-wise spectral fitting to give relative atomic concentrations. We demonstrate its application to two material systems: studying the distribution of catalyst material on porous substrates for industrial scale chemical processing; and mapping of minerals and inclusion phases inside a mineralised ore sample. The method makes use of a standard laboratory X-ray source with measurement times similar to that required for conventional computed tomography. PMID:26514938

Structural and Spectral Characterization of Co2+- and Ni2+-DOPED CdO Powder Prepared From Solution at Room Temperature

NASA Astrophysics Data System (ADS)

Reddy, C. V.; Rao, L. V. Krishna; Satish, D. V.; Shim, J.; Ravikumar, R. V. S. S. N.

2015-11-01

The mild and simple solution method was used for the synthesis of Co2+- and Ni2+-doped CdO powders at room temperature. The prepared powders were characterized using powder X-ray diffraction, scanning electron microscopy (SEM) with energy dispersive spectroscopy (EDS), optical absorption, and Fourier transform infrared spectroscopy (FTIR). From the powder X-ray diffraction patterns, it has been observed that the prepared Co2+ and Ni2+ ion-doped CdO powders belong to the cubic phase, and the evaluated average crystalline sizes of the powders are 20 and 14 nm, respectively. The SEM images and the EDS spectra show that the prepared powders are distributed over different sizes in the grain boundaries. Optical absorption studies allow determination of site symmetry of the metal ion with its ligands. The crystal field (Dq) and inter-electronic repulsion (B and C) parameters have been evaluated from the optical absorption spectra. The FTIR spectra show the characteristic fundamental vibrations of the metal oxide and CdO.

Clinical and laboratory evaluation of microstructural changes in the physical, mechanical and chemical properties of dental filling materials under the influence of an electromagnetic field.

PubMed

Moiseeva, Natalia S; Kunin, Anatoly A

2018-03-01

Restorative filling materials used for dental caries prevention and treatment consist of various components including monomers or oligomers, which play a significant role in forming the main structure of these materials, as well as in characterising their physical, mechanical and chemical properties. The necessity for the development and improvement of structural characteristics of polymeric dental filling materials intended for caries prevention and their life duration increase served as the initiating factor of our research. According to the research purpose and challenges, we studied the changes in the physical, mechanical and chemical properties of composite filling materials with and without electromagnetic field influence. The investigations in vivo include the study of microstructural features of polymeric filling materials by scanning electron microscopy (SEM) and the investigations in vitro include the study of sealed and extracted human teeth chips by using X-ray spectral analysis. We also evaluated the changes in the strength characteristics of dental filling materials with and without electromagnetic field influence. The analysis of the obtained data indicates the presence of structural changes in polymeric dental filling materials, including the material microstructure condensation confirmed by the SEM results, an increase in the strength and adhesion characteristics and certain regularities of the chemical elemental composition concentration change in the area of hard tooth tissue and dental filling material. These scientific data will provide tooth caries prevention and promote the increase of treatment quality.

Synthesis, characterization, thermal and antimicrobial studies of diabetic drug models: Complexes of vanadyl(II) sulfate with ascorbic acid (vitamin C), riboflavin (vitamin B2) and nicotinamide (vitamin B3)

NASA Astrophysics Data System (ADS)

Refat, Moamen S.

2010-04-01

The oxovanadium(II) complexes of the different vitamins like ascorbic acid (vitamin C; Vit. C), riboflavin (vitamin B2; Vit. B2) and nicotinamide (vitamin B3; Vit. B3) were synthesized and characterized by elemental analysis, molar conductance, IR, electronic, magnetic measurements, thermal studies, XRD and SEM. Conductance measurements indicated that the vanadyl(II) complexes of Vit. B2 and Vit. B3 are 1:2 electrolytes except for [VO(Vit. C) 2(H 2O) 2] complex is non-electrolyte. IR data show that Vit. B2 is bidentate ligand against azomethine nitrogen of pyrazine ring and C dbnd O of pyrimidine-2,4-dione but Vit. B3 and Vit. C acts as a monodentate ligand through pyridine nitrogen and hydroxo oxygen of furan ring, respectively. Electronic spectral measurements indicated that all VO(II) complexes have a square-pyramidal geometry. Magnetic measurements for the new vanadyl(II) complexes are in a good agreement with the proposed formula. Thermal analyses (TG/DSC) of the studied complexes show that the decomposition process takes place in more than two steps. XRD refer that VO(II) complexes have an amorphous behavior. The surface morphology of the complexes was studied by SEM. The antimicrobial activities of the ligands and its complexes indicate that the vanadyl(II) complexes possess high antibacterial and antifungal activities towards the bacterial species and the fungal species than start ligands.

Optical performance of random anti-reflection structured surfaces (rARSS) on spherical lenses

NASA Astrophysics Data System (ADS)

Taylor, Courtney D.

Random anti-reflection structured surfaces (rARSS) have been reported to improve transmittance of optical-grade fused silica planar substrates to values greater than 99%. These textures are fabricated directly on the substrates using reactive-ion/inductively-coupled plasma etching (RIE/ICP) techniques, and often result in transmitted spectra with no measurable interference effects (fringes) for a wide range of wavelengths. The RIE/ICP processes used in the fabrication process to etch the rARSS is anisotropic and thus well suited for planar components. The improvement in spectral transmission has been found to be independent of optical incidence angles for values from 0° to +/-30°. Qualifying and quantifying the rARSS performance on curved substrates, such as convex lenses, is required to optimize the fabrication of the desired AR effect on optical-power elements. In this work, rARSS was fabricated on fused silica plano-convex (PCX) and plano-concave (PCV) lenses using a planar-substrate optimized RIE process to maximize optical transmission in the range from 500 to 1100 nm. An additional set of lenses were etched in a non-optimized ICP process to provide additional comparisons. Results are presented from optical transmission and beam propagation tests (optimized lenses only) of rARSS lenses for both TE and TM incident polarizations at a wavelength of 633 nm and over a 70° full field of view in both singlet and doublet configurations. These results suggest optimization of the fabrication process is not required, mainly due to the wide angle-of-incidence AR tolerance performance of the rARSS lenses. Non-optimized recipe lenses showed low transmission enhancement, and confirmed the need to optimized etch recipes prior to process transfer of PCX/PCV lenses. Beam propagation tests indicated no major beam degradation through the optimized lens elements. Scanning electron microscopy (SEM) images confirmed different structure between optimized and non-optimized samples. SEM images also indicated isotropically-oriented surface structures on both types of lenses.

A chemical-spectrochemical method for the determination of rare earth elements and thorium in cerium minerals

USGS Publications Warehouse

Rose, H.J.; Murata, K.J.; Carron, M.K.

1954-01-01

In a combined chemical-spectrochemical procedure for quantitatively determining rare earth elements in cerium minerals, cerium is determined volumetrically, a total rare earths plus thoria precipitate is separated chemically, the ceria content of the precipitate is raised to 80??0 percent by adding pure ceria, and the resulting mixture is analyzed for lanthanum, praseodymium, neodymium, samarium, gadolinium, yttrium, and thorium spectrochemically by means of the d.c. carbon arc. Spectral lines of singly ionized cerium are used as internal standard lines in the spectrochemical determination which is patterned after Fassel's procedure [1]. Results of testing the method with synthetic mixtures of rare earths and with samples of chemically analyzed cerium minerals show that the coefficient of variation for a quadruplicate determination of any element does not exceed 5??0 (excepting yttrium at concentrations less than 1 percent) and that the method is free of serious systematic error. ?? 1954.

Persistence of uranium emission in laser-produced plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

LaHaye, N. L.; Harilal, S. S., E-mail: hari@purdue.edu; Diwakar, P. K.

2014-04-28

Detection of uranium and other nuclear materials is of the utmost importance for nuclear safeguards and security. Optical emission spectroscopy of laser-ablated U plasmas has been presented as a stand-off, portable analytical method that can yield accurate qualitative and quantitative elemental analysis of a variety of samples. In this study, optimal laser ablation and ambient conditions are explored, as well as the spatio-temporal evolution of the plasma for spectral analysis of excited U species in a glass matrix. Various Ar pressures were explored to investigate the role that plasma collisional effects and confinement have on spectral line emission enhancement andmore » persistence. The plasma-ambient gas interaction was also investigated using spatially resolved spectra and optical time-of-flight measurements. The results indicate that ambient conditions play a very important role in spectral emission intensity as well as the persistence of excited neutral U emission lines, influencing the appropriate spectral acquisition conditions.« less

Fabrication of the polarization independent spectral beam combining grating

NASA Astrophysics Data System (ADS)

Liu, Quan; Jin, Yunxia; Wu, Jianhong; Guo, Peiliang

2016-03-01

Owing to damage, thermal issues, and nonlinear optical effects, the output power of fiber laser has been proven to be limited. Beam combining techniques are the attractive solutions to achieve high-power high-brightness fiber laser output. The spectral beam combining (SBC) is a promising method to achieve high average power output without influencing the beam quality. A polarization independent spectral beam combining grating is one of the key elements in the SBC. In this paper the diffraction efficiency of the grating is investigated by rigorous coupled-wave analysis (RCWA). The theoretical -1st order diffraction efficiency of the grating is more than 95% from 1010nm to 1080nm for both TE and TM polarizations. The fabrication tolerance is analyzed. The polarization independent spectral beam combining grating with the period of 1.04μm has been fabricated by holographic lithography - ion beam etching, which are within the fabrication tolerance.

Particle shape effects on the fracture of discontinuously-reinforced 6061-A1 matrix composites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shi, N.; Song, S.G.; Gray, G.T., III

1996-05-01

Effects on fracture and ductility of a spherical and an angular particulate-reinforced 6061-Al composite containing 20(vol)% Al{sub 2}O{sub 3} were studied using SEM fractography and modeled using finite element method (FEM). The spherical particulate composite exhibited a slightly lower yield strength and work hardening rate but a considerably higher ductility than the angular counterpart. SEM fractography showed that during tensile deformation the spherical composite failed through void nucleation and linking in the matrix near the reinforcement/matrix interface, whereas the angular composite failed through particle fracture and matrix ligament rupture. FEM results indicate that the distinction between the failure modes formore » these two composites can be attributed to differences in development of internal stresses and strains within the composites due to particle shape.« less

Vitrification of radioactive contaminated soil by means of microwave energy

NASA Astrophysics Data System (ADS)

Yuan, Xun; Qing, Qi; Zhang, Shuai; Lu, Xirui

2017-03-01

Simulated radioactive contaminated soil was successfully vitrified by microwave sintering technology and the solidified body were systematically studied by Raman, XRD and SEM-EDX. The Raman results show that the solidified body transformed to amorphous structure better at higher temperature (1200 °C). The XRD results show that the metamictization has been significantly enhanced by the prolonged holding time at 1200 °C by microwave sintering, while by conventional sintering technology other crystal diffraction peaks, besides of silica at 2θ = 27.830°, still exist after being treated at 1200 °C for much longer time. The SEM-EDX discloses the micro-morphology of the sample and the uniform distribution of Nd element. All the results show that microwave technology performs vitrification better than the conventional sintering method in solidifying radioactive contaminated soil.

A comparative SEM morphological study of biogenic and abiogenic carbonates for the search for biostructures on Mars.

NASA Astrophysics Data System (ADS)

D'Elia, M.; Blanco, A.; Galiano, A.; Orofino, V.; Fonti, S.; Mancarella, F.; Guido, A.

Next space missions will investigate the possibility of extinct or extant life on Mars. In previous laboratory works by studying the infrared spectral modifications induced by thermal processing on different carbonate samples (recent shells and fossils of different ages), we developed a method able to discriminate biogenic carbonates from their abiogenic counterparts. The method has been successfully applied to microbialites, i.e. bio-induced carbonates deposits, and particularly to stromatolites, the laminated fabric of microbialites, some of which can be ascribed among the oldest traces of biological activity known on Earth. These results are of valuable importance since such carbonates are linked to primitive living organisms which can be considered as good analogues for putative Martian life forms. Due to the fact that the microstructures of biogenic carbonate may be different from those of abiogenic origin, we have recently investigated the microscopic morphology at different scales of our samples (shells, skeletal grains, microbialites and stromatolites) using a scanning electron microscope (SEM). In this paper we present some preliminary results that can be of valuable interest in view of the high resolution imaging systems that in the near future will explore the surface of Mars in the search for biological traces of life.

The Interior Analysis and 3-D Reconstruction of Internally-Mixed Light-Absorbing Atmospheric Particles

NASA Astrophysics Data System (ADS)

Conny, J. M.; Collins, S. M.; Anderson, I.; Herzing, A.

2010-12-01

Carbon-containing atmospheric particles may either absorb solar or outgoing long-wave radiation or scatter solar radiation, and thus, affect Earth’s radiative balance in multiple ways. Light-absorbing carbon that is common in urban air particles such as industrial coke dust, road dust, and diesel soot, often exists in the same particle with other phases that contain, for example, aluminum, calcium, iron, and sulfur. While the optical properties of atmospheric particles in general depend on overall particle size and shape, the inhomogeneity of chemical phases within internally-mixed particles may also greatly affect particle optical properties. In this study, a series of microscopic approaches were used to identify individual light-absorbing coarse-mode particles and to assess their interior structure and composition. Particle samples were collected in 2004 from one of the U.S. EPA’s Los Angeles Particulate Matter Supersites, and were likely affected substantially by road dust and construction dust. First, bright-field and dark-field light microscopy and computer-controlled scanning electron microscopy (SEM) with energy-dispersive x-ray spectroscopy (EDX) were used to distinguish predominantly light-absorbing carbonaceous particles from other particle types such as mineral dust, sea salt, and brake wear. Second, high-resolution SEM-EDX elemental mapping of individual carbonaceous particles was used to select particles with additional elemental phases that exhibited spatial inhomogeneity. Third, focused ion-beam SEM (FIB-SEM) with EDX was used to slice through selected particles to expose interior surfaces and to determine the spatial distribution of element phases throughout the particles. Fourth, study of the interior phases of a particle was augmented by the transmission electron microscopy (TEM) of a thin section of the particle prepared by FIB-SEM. Here, electron energy loss spectroscopy with TEM was used to study chemical bonding in the carbonaceous phase. Finally, automated serial slicing and imaging in the FIB-SEM generated a stack of secondary electron images of the particles’ interior surfaces that allowed for the 3-D reconstruction of the particles, a process known as FIB tomography. Interior surface of light-absorbing carbonaceous particle from FIB-SEM analysis.

Spectral-Element Seismic Wave Propagation Codes for both Forward Modeling in Complex Media and Adjoint Tomography

NASA Astrophysics Data System (ADS)

Smith, J. A.; Peter, D. B.; Tromp, J.; Komatitsch, D.; Lefebvre, M. P.

2015-12-01

We present both SPECFEM3D_Cartesian and SPECFEM3D_GLOBE open-source codes, representing high-performance numerical wave solvers simulating seismic wave propagation for local-, regional-, and global-scale application. These codes are suitable for both forward propagation in complex media and tomographic imaging. Both solvers compute highly accurate seismic wave fields using the continuous Galerkin spectral-element method on unstructured meshes. Lateral variations in compressional- and shear-wave speeds, density, as well as 3D attenuation Q models, topography and fluid-solid coupling are all readily included in both codes. For global simulations, effects due to rotation, ellipticity, the oceans, 3D crustal models, and self-gravitation are additionally included. Both packages provide forward and adjoint functionality suitable for adjoint tomography on high-performance computing architectures. We highlight the most recent release of the global version which includes improved performance, simultaneous MPI runs, OpenCL and CUDA support via an automatic source-to-source transformation library (BOAST), parallel I/O readers and writers for databases using ADIOS and seismograms using the recently developed Adaptable Seismic Data Format (ASDF) with built-in provenance. This makes our spectral-element solvers current state-of-the-art, open-source community codes for high-performance seismic wave propagation on arbitrarily complex 3D models. Together with these solvers, we provide full-waveform inversion tools to image the Earth's interior at unprecedented resolution.

Design and experiment of spectrometer based on scanning micro-grating integrating with angle sensor

NASA Astrophysics Data System (ADS)

Biao, Luo; Wen, Zhi-yu

2014-01-01

A compact, low cost, high speed, non-destructive testing NIR (near infrared) spectrometer optical system based on MOEMS grating device is developed. The MOEMS grating works as the prismatic element and wavelength scanning element in our optical system. The MOEMS grating enables the design of compact grating spectrometers capable of acquiring full spectra using a single detector element. This MOEMS grating is driven by electromagnetic force and integrated with angle sensor which used to monitored deflection angle while the grating working. Comparing with the traditional spectral system, there is a new structure with a single detector and worked at high frequency. With the characteristics of MOEMS grating, the structure of the spectrometer system is proposed. After calculating the parameters of the optical path, ZEMAX optical software is used to simulate the system. According the ZEMAX output file of the 3D model, the prototype is designed by SolidWorks rapidly, fabricated. Designed for a wavelength range between 800 nm and 1500 nm, the spectrometer optical system features a spectral resolution of 16 nm with the volume of 97 mm × 81.7 mm × 81 mm. For the purpose of reduce modulated effect of sinusoidal rotation, spectral intensity of the different wavelength should be compensated by software method in the further. The system satisfies the demand of NIR micro-spectrometer with a single detector.

Unstructured High-Order Galerkin-Temporal- Boundary Methods for the Klein-Gordon Equation with Non-Reflecting Boundary Conditions

DTIC Science & Technology

2010-06-01

9 C. Conservation of Momentum . . . . . . . . . . . . . . . . . . . . . 11 1. Gravity Effects . . . . . . . . . . . . . . . . . . . . . . . . . 12 2...describe the high-order spectral element method used to discretize the problem in space (up to 16th order polynomials ) in Chapter IV. Chapter V discusses...inertial frame. Body forces are those acting on the fluid volume that are proportional to the mass. The body forces considered here are gravity and

Tensor-product preconditioners for a space-time discontinuous Galerkin method

NASA Astrophysics Data System (ADS)

Diosady, Laslo T.; Murman, Scott M.

2014-10-01

A space-time discontinuous Galerkin spectral element discretization is presented for direct numerical simulation of the compressible Navier-Stokes equations. An efficient solution technique based on a matrix-free Newton-Krylov method is presented. A diagonalized alternating direction implicit preconditioner is extended to a space-time formulation using entropy variables. The effectiveness of this technique is demonstrated for the direct numerical simulation of turbulent flow in a channel.

Exploiting Process-Related Advantages of Selective Laser Melting for the Production of High-Manganese Steel.

PubMed

Haase, Christian; Bültmann, Jan; Hof, Jan; Ziegler, Stephan; Bremen, Sebastian; Hinke, Christian; Schwedt, Alexander; Prahl, Ulrich; Bleck, Wolfgang

2017-01-11

Metal additive manufacturing has strongly gained scientific and industrial importance during the last decades due to the geometrical flexibility and increased reliability of parts, as well as reduced equipment costs. Within the field of metal additive manufacturing methods, selective laser melting (SLM) is an eligible technique for the production of fully dense bulk material with complex geometry. In the current study, we addressed the application of SLM for processing a high-manganese TRansformation-/TWinning-Induced Plasticity (TRIP/TWIP) steel. The solidification behavior was analyzed by careful characterization of the as-built microstructure and element distribution using optical and scanning electron microscopy (SEM). In addition, the deformation behavior was studied using uniaxial tensile testing and SEM. Comparison with conventionally produced TRIP/TWIP steel revealed that elemental segregation, which is normally very pronounced in high-manganese steels and requires energy-intensive post processing, is reduced due to the high cooling rates during SLM. Also, the very fast cooling promoted ε- and α'-martensite formation prior to deformation. The superior strength and pronounced anisotropy of the SLM-produced material was correlated with the microstructure based on the process-specific characteristics.

Polyamidoamine dendrimers-assisted electrodeposition of gold-platinum bimetallic nanoflowers.

PubMed

Qian, Lei; Yang, Xiurong

2006-08-24

Novel Au-Pt bimetallic flower nanostructures fabricated on a polyamidoamine dendrimers-modified surface by electrodeposition are reported. These polyamidoamine dendrimers were stable, and they assisted the formation of Au-Pt bimetallic nanoflowers during the electrodeposition process. These nanoflowers were characterized by field-emitted scanning electron microscopy (FE-SEM), energy-dispersive spectroscopy (EDS), X-ray photoelectron spectroscopy (XPS), X-ray diffraction, and electrochemical methods. FE-SEM images showed that the bimetallic nanoflower included two parts: the "light" and the "pale" part. The two parts consisted of many small bimetallic nanoparticles, which was attributed to the progressive nucleation process. Moreover, the "light" part contained more bimetallic nanoparticles. The morphologies of bimetallic nanoflowers depended on the electrodeposition time and potential and the layer number of assembled dendrimers. The average size of nanoflowers increased with the increase in electrodeposition time. The layer number of assembled dendrimers obviously affected the size and morphologies of the "pale" parts of deposited nanoflowers. EDS and XPS indicated that the content of Au element was higher than that of Pt element in the nanoflowers. The bimetallic nanoflowers-modified electrode had electrochemical properties similar to those of bare gold and platinum electrodes. It also exhibited significant electrocatalytic activities toward oxygen reduction.

Exploiting Process-Related Advantages of Selective Laser Melting for the Production of High-Manganese Steel

PubMed Central

Haase, Christian; Bültmann, Jan; Hof, Jan; Ziegler, Stephan; Bremen, Sebastian; Hinke, Christian; Schwedt, Alexander; Prahl, Ulrich; Bleck, Wolfgang

2017-01-01

Metal additive manufacturing has strongly gained scientific and industrial importance during the last decades due to the geometrical flexibility and increased reliability of parts, as well as reduced equipment costs. Within the field of metal additive manufacturing methods, selective laser melting (SLM) is an eligible technique for the production of fully dense bulk material with complex geometry. In the current study, we addressed the application of SLM for processing a high-manganese TRansformation-/TWinning-Induced Plasticity (TRIP/TWIP) steel. The solidification behavior was analyzed by careful characterization of the as-built microstructure and element distribution using optical and scanning electron microscopy (SEM). In addition, the deformation behavior was studied using uniaxial tensile testing and SEM. Comparison with conventionally produced TRIP/TWIP steel revealed that elemental segregation, which is normally very pronounced in high-manganese steels and requires energy-intensive post processing, is reduced due to the high cooling rates during SLM. Also, the very fast cooling promoted ε- and α’-martensite formation prior to deformation. The superior strength and pronounced anisotropy of the SLM-produced material was correlated with the microstructure based on the process-specific characteristics. PMID:28772416

Preparation of Cu2ZnSnS4 nano-crystalline powder by mechano-chemical method

NASA Astrophysics Data System (ADS)

Alirezazadeh, Farzaneh; Sheibani, Saeed; Rashchi, Fereshteh

2018-01-01

Copper zinc tin sulfide (Cu2ZnSnS4, CZTS) is one of the most promising ceramic materials as an absorber layer in solar cells due to its suitable band gap, high absorption coefficient and non-toxic and environmental friendly constituent elements. In this work, nano-crystalline CZTS powder was synthesized by mechanical milling. Elemental powders of Cu, Zn, Sn and were mixed in atomic ratio of 2:1:1:4 according to the stoichiometry of Cu2ZnSnS4 and then milled in a planetary high energy ball mill under argon atmosphere. The samples were characterized by X-ray diffraction (XRD), scanning electron microscopy (SEM) and diffusion reflectance spectroscopy (DRS). XRD results confirm the formation of single-phase CZTS with kesterite structure after 20 h of milling. Also, the mean crystallite size was about 35 nm. SEM results show that after 20 h of milling, the product has a relatively uniform particle size distribution. Optical properties of the product indicate that the band gap of prepared CZTS is 1.6 eV which is near to the optimum value for photovoltaic solar cells showing as a light absorber material in solar energy applications.

W17_geonuc “Application of the Spectral Element Method to improvement of Ground-based Nuclear Explosion Monitoring”

DOE Office of Scientific and Technical Information (OSTI.GOV)

Larmat, Carene; Rougier, Esteban; Lei, Zhou

This project is in support of the Source Physics Experiment SPE (Snelson et al. 2013), which aims to develop new seismic source models of explosions. One priority of this program is first principle numerical modeling to validate and extend current empirical models.

Spectral-element simulations of wave propagation in complex exploration-industry models: Imaging and adjoint tomography

NASA Astrophysics Data System (ADS)

Luo, Y.; Nissen-Meyer, T.; Morency, C.; Tromp, J.

2008-12-01

Seismic imaging in the exploration industry is often based upon ray-theoretical migration techniques (e.g., Kirchhoff) or other ideas which neglect some fraction of the seismic wavefield (e.g., wavefield continuation for acoustic-wave first arrivals) in the inversion process. In a companion paper we discuss the possibility of solving the full physical forward problem (i.e., including visco- and poroelastic, anisotropic media) using the spectral-element method. With such a tool at hand, we can readily apply the adjoint method to tomographic inversions, i.e., iteratively improving an initial 3D background model to fit the data. In the context of this inversion process, we draw connections between kernels in adjoint tomography and basic imaging principles in migration. We show that the images obtained by migration are nothing but particular kinds of adjoint kernels (mainly density kernels). Migration is basically a first step in the iterative inversion process of adjoint tomography. We apply the approach to basic 2D problems involving layered structures, overthrusting faults, topography, salt domes, and poroelastic regions.

Mueller matrix approach for probing multifractality in the underlying anisotropic connective tissue

NASA Astrophysics Data System (ADS)

Das, Nandan Kumar; Dey, Rajib; Ghosh, Nirmalya

2016-09-01

Spatial variation of refractive index (RI) in connective tissues exhibits multifractality, which encodes useful morphological and ultrastructural information about the disease. We present a spectral Mueller matrix (MM)-based approach in combination with multifractal detrended fluctuation analysis (MFDFA) to exclusively pick out the signature of the underlying connective tissue multifractality through the superficial epithelium layer. The method is based on inverse analysis on selected spectral scattering MM elements encoding the birefringence information on the anisotropic connective tissue. The light scattering spectra corresponding to the birefringence carrying MM elements are then subjected to the Born approximation-based Fourier domain preprocessing to extract ultrastructural RI fluctuations of anisotropic tissue. The extracted RI fluctuations are subsequently analyzed via MFDFA to yield the multifractal tissue parameters. The approach was experimentally validated on a simple tissue model comprising of TiO2 as scatterers of the superficial isotropic layer and rat tail collagen as an underlying anisotropic layer. Finally, the method enabled probing of precancer-related subtle alterations in underlying connective tissue ultrastructural multifractality from intact tissues.

Rapid Elemental Analysis and Provenance Study of Blumea balsamifera DC Using Laser-Induced Breakdown Spectroscopy

PubMed Central

Liu, Xiaona; Zhang, Qiao; Wu, Zhisheng; Shi, Xinyuan; Zhao, Na; Qiao, Yanjiang

2015-01-01

Laser-induced breakdown spectroscopy (LIBS) was applied to perform a rapid elemental analysis and provenance study of Blumea balsamifera DC. Principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA) were implemented to exploit the multivariate nature of the LIBS data. Scores and loadings of computed principal components visually illustrated the differing spectral data. The PLS-DA algorithm showed good classification performance. The PLS-DA model using complete spectra as input variables had similar discrimination performance to using selected spectral lines as input variables. The down-selection of spectral lines was specifically focused on the major elements of B. balsamifera samples. Results indicated that LIBS could be used to rapidly analyze elements and to perform provenance study of B. balsamifera. PMID:25558999

Spectral diffraction efficiency characterization of broadband diffractive optical elements.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Choi, Junoh; Cruz-Cabrera, Alvaro Augusto; Tanbakuchi, Anthony

Diffractive optical elements, with their thin profile and unique dispersion properties, have been studied and utilized in a number of optical systems, often yielding smaller and lighter systems. Despite the interest in and study of diffractive elements, the application has been limited to narrow spectral bands. This is due to the etch depths, which are optimized for optical path differences of only a single wavelength, consequently leading to rapid decline in efficiency as the working wavelength shifts away from the design wavelength. Various broadband diffractive design methodologies have recently been developed that improve spectral diffraction efficiency and expand the workingmore » bandwidth of diffractive elements. We have developed diffraction efficiency models and utilized the models to design, fabricate, and test two such extended bandwidth diffractive designs.« less

Intramolecular charge transfer effects on 4-hydroxy-3-methoxybenzaldehyde

NASA Astrophysics Data System (ADS)

Rajendiran, N.; Balasubramanian, T.

2008-03-01

The absorption and fluorescence spectral characteristics of 4-hydroxy-3-methoxybenzaldehyde (HMB) have been studied in different solvents, pH and β-cyclodextrin (β-CD) and compared with 4-hydroxy-3,5-dimethoxybenzaldehyde (HDMB). The inclusion complex of HMB with β-CD is analysed by UV-vis, fluorimetry, FT-IR, 1H NMR, SEM and AM1 methods. In HMB, the normal emission (B band) is originates from a locally excited state and the longer emission (A band) is due to intramolecular charge transfer state (ICT). The OH group of HMB is present in the interior part of the β-CD cavity and aldehyde group present in the upper part of the β-CD cavity.

ZnO nanoparticles based fiber optic gas sensor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Narasimman, S.; Sivacoumar, R.; Alex, Z. C.

In this work, ZnO nanoparticles were synthesized by simple aqueous chemical route method. The synthesized ZnO nanoparticles were characterized by X-ray diffraction and scanning electron microscope. The sensitivity of the nanoparticles was studied for different gases like acetone, ammonia and ethanol in terms of variation in spectral light intensity. The XRD and SEM analysis confirms the formation of hexagonal wurtzite structure with the grain size of 11.2 nm. The small cladding region of the optical fiber was replaced with the synthesized nanoparticles. The light spectrum was recorded for different gas concentrations. The synthesized nanoparticles showed high sensitivity towards ammonia in lowmore » ppm level and acetone in high ppm level.« less

Luminescence of Er/Yb and Tm/Yb doped FAp nanoparticles and ceramics

NASA Astrophysics Data System (ADS)

Grigorjeva, L.; Smits, K.; Millers, D.; Jankoviča, Dz

2015-03-01

The nanoparticles of hydroxiapatite and fluorapatite doped with Er/Yb and Tm/Yb were synthesized and characterized by FTIR, XRD, SEM and TEM methods. The results of up-conversion luminescence studies were presented for the samples as prepared, annealed at 500°C and at 900-1000 °C. At annealing above 800°C the ceramic state was formed. It is shown that fluorapatite host is more appropriate than hydroxiapatite host for rare ions luminescence and up-conversion processes. The post preparing annealing of nanarticles significantly enhanced the luminescence intensity. The Tm/Yb doped fluorapatite shows intense up-conversion luminescence in 790-800 nm spectral region and is potentially useful for biomedical applications.

Mapping chemical elements on the surface of orthodontic appliance by SEM-EDX.

PubMed

Mikulewicz, Marcin; Wołowiec, Paulina; Michalak, Izabela; Chojnacka, Katarzyna; Czopor, Wojciech; Berniczei-Royko, Adam; Vegh, Andras; Gedrange, Thomas

2014-05-25

During orthodontic treatment, the various elements that constitute the fixed appliance undergo different processes. As a result of a change of the surface, elution/coverage of metals on the surface can be observed in the process of corrosion/passivation. Scanning electron microscopy with an energy-dispersive X-ray analytical system (SEM-EDX) was used to analyze the composition of stainless steel elements of orthodontic fixed appliances (before and after orthodontic treatment), to obtain the composition of the surface of the elements. The analyzed elements were: brackets (Victory Series APC PLUS 022, 3M Unitek, Monrovia, CA, USA); wires (0.017×0.025, 3M Unitek, Monrovia, CA, USA); and bands (37+, 3M Unitek, Monrovia, CA, USA). The results showed a decrease of chromium and iron contribution to the surface, with increase of oxygen content in used vs. new elements of the appliance. Our results confirm the formation of oxides (passivation layer) on the surface of stainless steel as a result of the presence of the orthodontic appliance in patients' oral cavities.

Spectrally resolved far-fields of terahertz quantum cascade lasers.

PubMed

Brandstetter, Martin; Schönhuber, Sebastian; Krall, Michael; Kainz, Martin A; Detz, Hermann; Zederbauer, Tobias; Andrews, Aaron M; Strasser, Gottfried; Unterrainer, Karl

2016-10-31

We demonstrate a convenient and fast method to measure the spectrally resolved far-fields of multimode terahertz quantum cascade lasers by combining a microbolometer focal plane array with an FTIR spectrometer. Far-fields of fundamental TM0 and higher lateral order TM1 modes of multimode Fabry-Pérot type lasers have been distinguished, which very well fit to the results obtained by a 3D finite-element simulation. Furthermore, multimode random laser cavities have been investigated, analyzing the contribution of each single laser mode to the total far-field. The presented method is thus an important tool to gain in-depth knowledge of the emission properties of multimode laser cavities at terahertz frequencies, which become increasingly important for future sensing applications.

Application of self-organizing maps to the study of U-Zr-Ti-Nb distribution in sandstone-hosted uranium ores

NASA Astrophysics Data System (ADS)

Klus, Jakub; Pořízka, Pavel; Prochazka, David; Mikysek, Petr; Novotný, Jan; Novotný, Karel; Slobodník, Marek; Kaiser, Jozef

2017-05-01

This paper presents a novel approach for processing the spectral information obtained from high-resolution elemental mapping performed by means of Laser-Induced Breakdown Spectroscopy. The proposed methodology is aimed at the description of possible elemental associations within a heterogeneous sample. High-resolution elemental mapping provides a large number of measurements. Moreover, typical laser-induced plasma spectrum consists of several thousands of spectral variables. Analysis of heterogeneous samples, where valuable information is hidden in a limited fraction of sample mass, requires special treatment. The sample under study is a sandstone-hosted uranium ore that shows irregular distribution of ore elements such as zirconium, titanium, uranium and niobium. Presented processing methodology shows the way to reduce the dimensionality of data and retain the spectral information by utilizing self-organizing maps (SOM). The spectral information from SOM is processed further to detect either simultaneous or isolated presence of elements. Conclusions suggested by SOM are in good agreement with geological studies of mineralization phases performed at the deposit. Even deeper investigation of the SOM results enables discrimination of interesting measurements and reveals new possibilities in the visualization of chemical mapping information. Suggested approach improves the description of elemental associations in mineral phases, which is crucial for the mining industry.

Finite Element Methods for Modelling Mechanical Loss in LIGO coating optics.

NASA Astrophysics Data System (ADS)

Newport, Jonathan; Harry, Gregg; LIGO Collaboration

2015-04-01

Gravitational waves from sources such as binary star systems, supernovae explosions and stochastic background radiation have yet to be directly detected by experimental observations. Alongside international collaborators, the Laser Interferometer Gravitational-Wave Observatory (LIGO) is designed to realize detection of gravitational waves using interferometric techniques. The second generation of gravitational wave observatories, known as Advanced LIGO, are currently undergoing installation and commissioning at sites in Hanford, Washington and Livingston, Louisiana. The ultimate sensitivity of Advanced LIGO within select spectral bands is limited by thermal noise in the coatings of the interferometer optics. The LIGO lab at American University is measuring the mechanical loss of coated substrates to predict thermal noise within these spectral bands. These predictions use increasingly sophisticated finite element models to ensure the ultimate design sensitivity of Advanced LIGO and to study coating and substrate materials for future gravitational wave detectors.

A new splitting scheme to the discrete Boltzmann equation for non-ideal gases on non-uniform meshes

NASA Astrophysics Data System (ADS)

Patel, Saumil; Lee, Taehun

2016-12-01

We present a novel numerical procedure for solving the discrete Boltzmann equations (DBE) on non-uniform meshes. Our scheme is based on the Strang splitting method where we seek to investigate two-phase flow applications. In this note, we investigate the onset of parasitic currents which arise in many computational two-phase algorithms. To the best of our knowledge, the results presented in this work show, for the first time, a spectral element discontinuous Galerkin (SEDG) discretization of a discrete Boltzmann equation which successfully eliminates parasitic currents on non-uniform meshes. With the hope that this technique can be used for applications in complex geometries, calculations are performed on non-uniform mesh distributions by using high-order (spectral), body-fitting quadrilateral elements. Validation and verification of our work is carried out by comparing results against the classical 2D Young-Laplace law problem for a static drop.

Laser systems configured to output a spectrally-consolidated laser beam and related methods

DOEpatents

Koplow, Jeffrey P [San Ramon, CA

2012-01-10

A laser apparatus includes a plurality of pumps each of which is configured to emit a corresponding pump laser beam having a unique peak wavelength. The laser apparatus includes a spectral beam combiner configured to combine the corresponding pump laser beams into a substantially spatially-coherent pump laser beam having a pump spectrum that includes the unique peak wavelengths, and first and second selectively reflective elements spaced from each other to define a lasing cavity including a lasing medium therein. The lasing medium generates a plurality of gain spectra responsive to absorbing the pump laser beam. Each gain spectrum corresponds to a respective one of the unique peak wavelengths of the substantially spatially-coherent pump laser beam and partially overlaps with all other ones of the gain spectra. The reflective elements are configured to promote emission of a laser beam from the lasing medium with a peak wavelength common to each gain spectrum.

Ultrasonic wave propagation in viscoelastic cortical bone plate coupled with fluids: a spectral finite element study.

PubMed

Nguyen, Vu-Hieu; Naili, Salah

2013-01-01

This work deals with the ultrasonic wave propagation in the cortical layer of long bones which is known as being a functionally graded anisotropic material coupled with fluids. The viscous effects are taken into account. The geometrical configuration mimics the one of axial transmission technique used for evaluating the bone quality. We present a numerical procedure adapted for this purpose which is based on the spectral finite element method (FEM). By using a combined Laplace-Fourier transform, the vibroacoustic problem may be transformed into the frequency-wavenumber domain in which, as radiation conditions may be exactly introduced in the infinite fluid halfspaces, only the heterogeneous solid layer needs to be analysed using FEM. Several numerical tests are presented showing very good performance of the proposed approach. We present some results to study the influence of the frequency on the first arriving signal velocity in (visco)elastic bone plate.

Ultrastructure and elemental analysis of Hypoxis hemerocallidea: a multipurpose medicinal plant.

PubMed

Afolayan, Anthony J; Otunola, Gloria A

2014-01-01

Herbal medicine is a popular means of medical management in some parts of the world especially in Africa. Hypoxis hemerocallidea Fisch.C.A.Mey. & Avé-Lall, also known as African potato of the Hypoxidaecae family, is one of the medicinal plants that have enjoyed long usage as an herbal medicine in South Africa. In this study, the morphology and elemental constituents of H. hemerocallidea leaf was investigated to correlate the functional role of the ultrastructure in the production of therapeutic compounds. Fresh leaves of H. hemerocallidea were prepared for analysis using standard methods. The ultrastructure and crystal deposits of the plant were assessed using scanning electron microscopy (SEM), and energy dispersive x-ray (EDX). It was observed that the leaves were characterised by multicelullar glandular and non glandular trichomes which are sparsely distributed over the entire surfaces. The glandular trichomes (GTs) in H. hemerocallidea leaf have boulbous heads which are probably filled with secretions, while the non glandular trichomes were long, fibrous and sparse. EDX-SEM of Hypoxis hemerocallidea leaf revealed that carbon, oxygen, nitrogen and silicon are the major components of the deposits, while other elements such as iron, sulphur, sodium, calcium, magnesium, potassium, manganese, iodine, chromium and iodine were present in small but variable amounts. The presence of these elements which are crucial to maintaining good health, in addition to other bioactive constituents might be accountable for the multipurpose therapeutic uses of Hypoxis hemerocallidea in the treatment of cancers, HIV/AIDS related diseases, urinary tract infections, cardiovascular disorders, diabetes and other chronic ailments of humans.

[Determination of multi-element contents in gypsum by ICP-AES].

PubMed

Guo, Zhong-bao; Bai, Yong-zhi; Cui, Jin-hua; Mei, Yi-fei; Ma, Zhen-zhu

2014-08-01

The content of multi-element in gypsum was determined by ICP-AES. The sample was pretreated by acid-soluble method or alkali-fusion method. Acid-soluble method is suitable for the determination of CaO, SOs, Al2O3, Fe2O3, MgO, K2O, Na2O, TiO2, P2O5, MnO, SrO and BaO. Alkali-fusion method is suitable for the determination of CaO, SO3, SiO2, Al2O3, Fe2O3, MgO, TiO2, P2O5, MnO, SrO, BaO and B2O3. Different series standard solutions were prepared considering the properties and content of elements and solution matrix. The limit of detection and quantification were confirmed for each element under their best analysis spectral lines. The recoveries of the two pretreatment methods were from 93% to 110%, besides that for TiO2 was 81%-87% as pretreated by acid-soluble method. All RSDs (n=6) of tests were from 0.70%-3.42%. The accuracies of CaO and SO3 with ICP-AES method were less than the chemical analysis method. The determination of CaO and SO3 with ICP-AES method is only suitable for the case of low accuracy requirement. The results showed that the method can be used for the determination of multi-element contents in gypsum, with simple operation, fast analysis and reliable results. Total elements can be analysed with both acid-soluble method and alkali-fusion method.

Wide-Field InfraRed Survey Telescope (WFIRST) Slitless Spectrometer: Design, Prototype, and Results

NASA Technical Reports Server (NTRS)

Gong, Qian; Content, David; Dominguez, Margaret; Emmett, Thomas; Griesmann, Ulf; Hagopian, John; Kruk, Jeffrey; Marx, Catherine; Pasquale, Bert; Wallace, Thomas;

Rocket-Plume Spectroscopy Simulation for Hydrocarbon-Fueled Rocket Engines

NASA Technical Reports Server (NTRS)

Tejwani, Gopal D.

2010-01-01

The UV-Vis spectroscopic system for plume diagnostics monitors rocket engine health by using several analytical tools developed at Stennis Space Center (SSC), including the rocket plume spectroscopy simulation code (RPSSC), to identify and quantify the alloys from the metallic elements observed in engine plumes. Because the hydrocarbon-fueled rocket engine is likely to contain C2, CO, CH, CN, and NO in addition to OH and H2O, the relevant electronic bands of these molecules in the spectral range of 300 to 850 nm in the RPSSC have been included. SSC incorporated several enhancements and modifications to the original line-by-line spectral simulation computer program implemented for plume spectral data analysis and quantification in 1994. These changes made the program applicable to the Space Shuttle Main Engine (SSME) and the Diagnostic Testbed Facility Thruster (DTFT) exhaust plume spectral data. Modifications included updating the molecular and spectral parameters for OH, adding spectral parameter input files optimized for the 10 elements of interest in the spectral range from 320 to 430 nm and linking the output to graphing and analysis packages. Additionally, the ability to handle the non-uniform wavelength interval at which the spectral computations are made was added. This allowed a precise superposition of wavelengths at which the spectral measurements have been made with the wavelengths at which the spectral computations are done by using the line-by-line (LBL) code. To account for hydrocarbon combustion products in the plume, which might interfere with detection and quantification of metallic elements in the spectral region of 300 to 850 nm, the spectroscopic code has been enhanced to include the carbon-based combustion species of C2, CO, and CH. In addition, CN and NO have spectral bands in 300 to 850 nm and, while these molecules are not direct products of hydrocarbon-oxygen combustion systems, they can show up if nitrogen or a nitrogen compound is present as an impurity in the propellants and/or these can form in the boundary layer as a result of interaction of the hot plume with the atmosphere during the ground testing of engines. Ten additional electronic band systems of these five molecules have been included into the code. A comprehensive literature search was conducted to obtain the most accurate values for the molecular and the spectral parameters, including Franck-Cordon factors and electronic transition moments for all ten band systems. For each elemental transition in the RPSSC, six spectral parameters - Doppler broadened line width at half-height, pressure-broadened line width at half-height, electronic multiplicity of the upper state, electronic term energy of the upper state, Einstein transition probability coefficient, and the atomic line center - are required. Input files have been created for ten elements of Ni, Fe, Cr, Co, Cu, Ca, Mn, Al, Ag, and Pd, which retain only relatively moderate to strong transitions in 300 to 430 nm spectral range for each element. The number of transitions in the input files is 68 for Ni; 148 for Fe; 6 for Cr; 87 for Co; 1 for Ca; 3 for Mn; 2 each for Cu, Al, and Ag; and 11 for Pd.

30 CFR 250.1920 - What are the auditing requirements for my SEMS program?

Code of Federal Regulations, 2012 CFR

2012-07-01

... designated and qualified personnel according to the requirements of this subpart and API RP 75, Section 12... thirteen elements of your SEMS program to evaluate compliance with the requirements of this subpart and API... audit plan and procedures must meet or exceed all of the recommendations included in API RP 75 section...

Aircraft Engine Noise Scattering by Fuselage and Wings: A Computational Approach

NASA Technical Reports Server (NTRS)

Farassat, F.; Stanescu, D.; Hussaini, M. Y.

2003-01-01

The paper presents a time-domain method for computation of sound radiation from aircraft engine sources to the far field. The effects of non-uniform flow around the aircraft and scattering of sound by fuselage and wings are accounted for in the formulation. The approach is based on the discretization of the inviscid flow equations through a collocation form of the discontinuous Galerkin spectral element method. An isoparametric representation of the underlying geometry is used in order to take full advantage of the spectral accuracy of the method. Large-scale computations are made possible by a parallel implementation based on message passing. Results obtained for radiation from an axisymmetric nacelle alone are compared with those obtained when the same nacelle is installed in a generic configuration, with and without a wing. 0 2002 Elsevier Science Ltd. All rights reserved.

Multifunctional Polymers and Composites for Self-Healing Applications

DTIC Science & Technology

2006-09-30

linkages (Chen et al. 2002), and a phase separated system based on polydimethylsiloxane (Cho et al. 2006). Self-healing occurs when monomer is released...WCI6 is shown in Figure 1.1a. The average particle sizes determined by analysis of SEM images for all three delivery methods are listed in Table 1.1...were then sieved and the beads smaller than 355 um were kept for further study. Elemental analysis of the wax beads revealed that the concentration of

Feasibility analysis of EDXRF method to detect heavy metal pollution in ecological environment

NASA Astrophysics Data System (ADS)

Hao, Zhixu; Qin, Xulei

2018-02-01

The change of heavy metal content in water environment, soil and plant can reflect the change of heavy metal pollution in ecological environment, and it is important to monitor the trend of heavy metal pollution in eco-environment by using water environment, soil and heavy metal content in plant. However, the content of heavy metals in nature is very low, the background elements of water environment, soil and plant samples are complex, and there are many interfering factors in the EDXRF system that will affect the spectral analysis results and reduce the detection accuracy. Through the contrastive analysis of several heavy metal elements detection methods, it is concluded that the EDXRF method is superior to other chemical methods in testing accuracy and method feasibility when the heavy metal pollution in soil is tested in ecological environment.

Automated mineralogy based on micro-energy-dispersive X-ray fluorescence microscopy (µ-EDXRF) applied to plutonic rock thin sections in comparison to a mineral liberation analyzer

NASA Astrophysics Data System (ADS)

Nikonow, Wilhelm; Rammlmair, Dieter

2017-10-01

Recent developments in the application of micro-energy-dispersive X-ray fluorescence spectrometry mapping (µ-EDXRF) have opened up new opportunities for fast geoscientific analyses. Acquiring spatially resolved spectral and chemical information non-destructively for large samples of up to 20 cm length provides valuable information for geoscientific interpretation. Using supervised classification of the spectral information, mineral distribution maps can be obtained. In this work, thin sections of plutonic rocks are analyzed by µ-EDXRF and classified using the supervised classification algorithm spectral angle mapper (SAM). Based on the mineral distribution maps, it is possible to obtain quantitative mineral information, i.e., to calculate the modal mineralogy, search and locate minerals of interest, and perform image analysis. The results are compared to automated mineralogy obtained from the mineral liberation analyzer (MLA) of a scanning electron microscope (SEM) and show good accordance, revealing variation resulting mostly from the limit of spatial resolution of the µ-EDXRF instrument. Taking into account the little time needed for sample preparation and measurement, this method seems suitable for fast sample overviews with valuable chemical, mineralogical and textural information. Additionally, it enables the researcher to make better and more targeted decisions for subsequent analyses.

Numerical Evaluation of P-Multigrid Method for the Solution of Discontinuous Galerkin Discretizations of Diffusive Equations

NASA Technical Reports Server (NTRS)

Atkins, H. L.; Helenbrook, B. T.

2005-01-01

This paper describes numerical experiments with P-multigrid to corroborate analysis, validate the present implementation, and to examine issues that arise in the implementations of the various combinations of relaxation schemes, discretizations and P-multigrid methods. The two approaches to implement P-multigrid presented here are equivalent for most high-order discretization methods such as spectral element, SUPG, and discontinuous Galerkin applied to advection; however it is discovered that the approach that mimics the common geometric multigrid implementation is less robust, and frequently unstable when applied to discontinuous Galerkin discretizations of di usion. Gauss-Seidel relaxation converges 40% faster than block Jacobi, as predicted by analysis; however, the implementation of Gauss-Seidel is considerably more expensive that one would expect because gradients in most neighboring elements must be updated. A compromise quasi Gauss-Seidel relaxation method that evaluates the gradient in each element twice per iteration converges at rates similar to those predicted for true Gauss-Seidel.

Synthesis and Structural Characterization of CdFe2O4 Nanostructures

NASA Astrophysics Data System (ADS)

Kalpanadevi, K.; Sinduja, C. R.; Manimekalai, R.

The synthesis of CdFe2O4 nanoparticles has been achieved by a simple thermal decomposition method from the inorganic precursor, [CdFe2(cin)3(N2H4)3], which was obtained by a simple precipitation method from the corresponding metal salts, cinnamic acid and hydrazine hydrate. The precursor was characterized by hydrazine and metal analyses, infrared spectral analysis and thermo gravimetric analysis. On appropriate annealing, [CdFe2(cin)3(N2H4)3] yielded CdFe2O4 nanoparticles. The XRD studies showed that the crystallite size of the particles was 13nm. The results of HRTEM studies also agreed well with those of XRD. SAED pattern of the sample established the polycrystalline nature of the nanoparticles. SEM images displayed a random distribution of grains in the sample.

Wavelet Spectral Finite Elements for Wave Propagation in Composite Plates with Damages - Years 3-4

DTIC Science & Technology

2014-05-23

study of Lamb wave interactions with holes and through thickness defects in thin metal plates . Distribution Code A: Approved for public release...Propagation in Composite Plates with Damages - Years 3-4 5a. CONTRACT NUMBER 5b. GRANT NUMBER FA23861214005 5c. PROGRAM ELEMENT NUMBER 6...14. ABSTRACT The objective of the proposed efforts: -Formulated Wavelet Spectral element for a healthy composite plates and used the formulated

Neural Network for Nanoscience Scanning Electron Microscope Image Recognition.

PubMed

Modarres, Mohammad Hadi; Aversa, Rossella; Cozzini, Stefano; Ciancio, Regina; Leto, Angelo; Brandino, Giuseppe Piero

2017-10-16

In this paper we applied transfer learning techniques for image recognition, automatic categorization, and labeling of nanoscience images obtained by scanning electron microscope (SEM). Roughly 20,000 SEM images were manually classified into 10 categories to form a labeled training set, which can be used as a reference set for future applications of deep learning enhanced algorithms in the nanoscience domain. The categories chosen spanned the range of 0-Dimensional (0D) objects such as particles, 1D nanowires and fibres, 2D films and coated surfaces, and 3D patterned surfaces such as pillars. The training set was used to retrain on the SEM dataset and to compare many convolutional neural network models (Inception-v3, Inception-v4, ResNet). We obtained compatible results by performing a feature extraction of the different models on the same dataset. We performed additional analysis of the classifier on a second test set to further investigate the results both on particular cases and from a statistical point of view. Our algorithm was able to successfully classify around 90% of a test dataset consisting of SEM images, while reduced accuracy was found in the case of images at the boundary between two categories or containing elements of multiple categories. In these cases, the image classification did not identify a predominant category with a high score. We used the statistical outcomes from testing to deploy a semi-automatic workflow able to classify and label images generated by the SEM. Finally, a separate training was performed to determine the volume fraction of coherently aligned nanowires in SEM images. The results were compared with what was obtained using the Local Gradient Orientation method. This example demonstrates the versatility and the potential of transfer learning to address specific tasks of interest in nanoscience applications.

Criminalistic identification of PGM-containing products of mining and metallurgical companies.

PubMed

Perelygin, Alexander; Kuchkin, Alexander; Kharkov, Nikolay; Moskvina, Tatyana

2008-01-15

In early 1990 s some organized criminal groups started to develop a new field of illegal business, which involved thefts of intermediary products from mining and metal-producing plants in Russia and in the south of Africa. Since local sulfide copper/nickel ores contain certain concentrations of precious and platinum group metals (PGMs), the intermediary products recovered at different stages of metallurgical transformation of these ores are materials of high commercial value. Illicit transportation and refining of these materials in Western Europe and North America has evolved into a large-scale business, where a lot of unlawful revenues are being laundered. The most important tasks in combating this organized crime are as follows: to establish the facts when some PGM-containing semi-products had been received at certain refineries; to carry out the identification of these semi-products; and to prove that these semi-products had been produced by a certain company. As a rule, it is not difficult to establish the identity of a "clean product". However, when a material is a mix of several semi-products or a mix of some semi-product with masking substances, the identification of individual components becomes an extremely complicated task. The purpose of developing the "complex procedure for establishing the nature and source of origin of precious metal-bearing products of mining and metallurgical operations" was to make possible the identification of complex mixes comprised of various metallurgical semi-products. In the complex procedure that we have developed to characterize dispersed materials, distribution of particles by their elemental composition (the so-called "pseudophase" composition) was used instead of mineralogical composition. To determine the "pseudophase" composition by the method of scanning electron microscopy with X-ray spectral microanalysis (SEM-EDX), a representative sample of material containing not less than 1000 particles was analyzed. All microparticles can be divided into several types. Each type is characterized by an association of chemical elements contained. The first stage includes the study of elemental composition by inductively coupled plasma optical emission spectrometry and inductively coupled plasma mass-spectrometry; and the study of phase composition by X-ray diffractometry. The results of each study are compared with data in the Data Base. In case of coincidence with one of the products with respect to all diagnostic features, the type of product and its source of origin are defined accordingly. If the features of the sample under analysis detected by the aforementioned methods do not coincide with any of the product types represented in Data Base, it is necessary to examine elemental composition and morphology of separate particle contained in the substance using SEM-EDX. If some particles characterized by features coinciding with features of particles belonging to any product or products from Data Base are found, this product or a mixture of products is assumed to be present in the composition of the substance under analysis. The assumption that the substance is a mixture can be verified by juxtaposing all previously determined features of the analyzed sample with the features of the pattern mixture (superposition) of the appropriate types of products represented in Data Base. Depending on the results of this verification the corresponding conclusion can be made.

Visible and infrared linear detector arrays for the Airborne Visible/Infrared Imaging Spectrometer (AVIRIS)

NASA Technical Reports Server (NTRS)

Bailey, Gary C.

1987-01-01

The Airborne Visible/Infrared Imaging Spectrometer (AVIRIS) instrument uses four separate focal plane assemblies consisting of line array detectors that are multiplexed to a common J-FET preamp using a FET switch multiplexing (MUX) technique. A 32-element silicon line array covers the spectral range from 0.41 to 0.70 microns. Three additional 64-element indium antimonide (InSb) line arrays cover the spectral range from 0.68 to 2.45 microns. The spectral sampling interval per detector element is nominally 9.8 nm, giving a total of 224 spectral channels. All focal planes operate at liquid nitrogen temperature and are housed in separate dewars. Electrical performance characteristics include a read noise of less than 1000 e(-) in all channels, response and dark nonuniformity of 5 percent peak to peak, and quantum efficiency of greater than 60 percent.

Plutonium oxalate precipitation for trace elemental determination in plutonium materials

DOE PAGES

Xu, Ning; Gallimore, David; Lujan, Elmer; ...

2015-05-26

In this study, an analytical chemistry method has been developed that removes the plutonium (Pu) matrix from the dissolved Pu metal or oxide solution prior to the determination of trace impurities that are present in the metal or oxide. In this study, a Pu oxalate approach was employed to separate Pu from trace impurities. After Pu(III) was precipitated with oxalic acid and separated by centrifugation, trace elemental constituents in the supernatant were analyzed by inductively coupled plasma-optical emission spectroscopy with minimized spectral interferences from the sample matrix.

Spectroscopic studies of different brands of cigarettes using laser-induced breakdown spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sayyad, M. H.; Saleem, M.; Shah, M.

In this work the technique of laser-induced breakdown spectroscopy (LIBS) has been used for the elemental analysis of cigarettes. For this purpose emission spectra have been measured of eleven different kinds of cigarette brands sold and/or produced in Pakistan. Analysis of the spectral peaks observed shows that Na, Mg, Al, K, Ca, Cr, Fe, Sr and Ba are contained in all brands. Exhibiting the LIBS results, the powerful potential of this method for the identification of the elemental content of cigarettes is demonstrated.

Spectroscopic studies of different brands of cigarettes using laser-induced breakdown spectroscopy

NASA Astrophysics Data System (ADS)

Sayyad, M. H.; Saleem, M.; Shah, M.; Shaikh, N. M.; Baig, M. A.

2008-05-01

In this work the technique of laser-induced breakdown spectroscopy (LIBS) has been used for the elemental analysis of cigarettes. For this purpose emission spectra have been measured of eleven different kinds of cigarette brands sold and/or produced in Pakistan. Analysis of the spectral peaks observed shows that Na, Mg, Al, K, Ca, Cr, Fe, Sr and Ba are contained in all brands. Exhibiting the LIBS results, the powerful potential of this method for the identification of the elemental content of cigarettes is demonstrated.

Structural and Optoelectronic Properties of SnO2 Thin Films Doped by Group-Ia Elements

NASA Astrophysics Data System (ADS)

Benhebal, Hadj; Benrabah, Bedhiaf; Ammari, Aek; Madoune, Yacine; Lambert, Stéphanie D.

This paper presents the results of an experimental work devoted to the synthesis and the characterization of tin dioxide (SnO2) thin layers doped with group-IA elements (Li, Na and K). The materials were synthesized by the sol-gel method and deposited by dip-coating, using tin (II) chloride dihydrate as a source of tin and absolute ethyl alcohol as solvent. Thin films prepared were characterized by several techniques including X-ray diffraction (XRD), scanning electron microscopy (SEM), infrared spectroscopy (IR), visible and ultraviolet spectroscopy and complex impedance method. The results obtained show that the materials kept their tetragonal rutile structure with preferred orientation of (101), whereas doping leads to a reduction of their energy band gap. The complex impedance analysis suggests that the different processes occurring at the electrode interface are modeled by an electrical circuit not affected by the doping.

Characteristics and anticorrosion performance of Fe-doped TiO2 films by liquid phase deposition method

NASA Astrophysics Data System (ADS)

Liu, Yu; Xu, Chao; Feng, ZuDe

2014-09-01

Fe-doped TiO2 thin films were fabricated by liquid phase deposition (LPD) method, using Fe(III) nitrate as both Fe element source and fluoride scavenger instead of commonly-used boric acid (H3BO3). Scanning electron microscopy (SEM), X-ray diffraction (XRD), and UV-vis spectrum were employed to examine the effects of Fe element on morphology, structure and optical characteristics of TiO2 films. The as-prepared films were served as photoanode applied to photogenerated cathodic protection of SUS304 stainless steel (304SS). It was observed that the photoelectrochemical properties of the as-prepared films were enhanced with the addition of Fe element compared to the undoped TiO2 film. The highest photoactivity was achieved for Ti13Fe (Fe/Ti = 3 molar ratio) film prepared in precursor bath containing 0.02 M TiF4 + 0.06 M Fe(NO3)3 under white-light illumination. The effective anticorrosion behaviors can be attributed to the Fe element incorporation which decreases the probability of photogenerated charge-carrier recombination and extends the light response range of Fe-doped TiO2 films appeared to visible-light region.

Fast parallel tandem mass spectral library searching using GPU hardware acceleration.

PubMed

Baumgardner, Lydia Ashleigh; Shanmugam, Avinash Kumar; Lam, Henry; Eng, Jimmy K; Martin, Daniel B

2011-06-03

Mass spectrometry-based proteomics is a maturing discipline of biologic research that is experiencing substantial growth. Instrumentation has steadily improved over time with the advent of faster and more sensitive instruments collecting ever larger data files. Consequently, the computational process of matching a peptide fragmentation pattern to its sequence, traditionally accomplished by sequence database searching and more recently also by spectral library searching, has become a bottleneck in many mass spectrometry experiments. In both of these methods, the main rate-limiting step is the comparison of an acquired spectrum with all potential matches from a spectral library or sequence database. This is a highly parallelizable process because the core computational element can be represented as a simple but arithmetically intense multiplication of two vectors. In this paper, we present a proof of concept project taking advantage of the massively parallel computing available on graphics processing units (GPUs) to distribute and accelerate the process of spectral assignment using spectral library searching. This program, which we have named FastPaSS (for Fast Parallelized Spectral Searching), is implemented in CUDA (Compute Unified Device Architecture) from NVIDIA, which allows direct access to the processors in an NVIDIA GPU. Our efforts demonstrate the feasibility of GPU computing for spectral assignment, through implementation of the validated spectral searching algorithm SpectraST in the CUDA environment.

Exploring the potential of hyper-spectral imaging for the biogeochemical analysis of varved lake sediments

NASA Astrophysics Data System (ADS)

Butz, Christoph; Grosjean, Martin; Enters, Dirk; Tylmann, Wojciech

2014-05-01

Varved lake sediments have successfully been used to make inferences about past environmental and climate conditions from annual to multi-millennial scales. Among other proxies, concentrations of sedimentary photopigments have been used for temperature reconstructions. However, obtaining well calibrated annually resolved records from sediments still remains challenging. Most laboratory methods used to analyse lake sediments require physical subsampling and are destructive in the process. Hence, temporal resolution and number of data are limited by the amount of material available in the core. Furthermore, for very low sediment accumulation rates annual subsampling is often very difficult or even impossible. To address these problems we explore hyper-spectral imaging as a new method to analyse lake sediments based on their reflectance spectra in the visible and near infrared spectrum. In contrast to other fast and non-destructive methods like X-ray fluorescence, VIS/NIR reflectance spectrometry distinguishes between biogeochemical substances rather than single elements. Rein (2003) has shown that VIS-RS can be used to detect relative concentrations of sedimentary photopigments (e.g. chlorins, carotenoids) and clay minerals. This study presents an advanced approach using a hyper-spectral camera and remote sensing techniques to infer climate proxy data from reflectance spectra of varved lake sediments. Hyper-spectral imaging allows analysing an entire sediment core in a single measurement, producing a spectral dataset with very high spatial (30x30µm/pixel) and spectral resolutions (~1nm) and a higher spectral range (400-1000nm) compared to previously used spectrophotometers. This allows the analysis of data time series at sub-varve scales or spatial mapping of sedimentary substances (e.g. chlorophyll-a and diagenetic products) at very high resolution. The method is demonstrated on varved lake sediments from northern Poland showing the change of the relative concentrations of chlorin pigments within individual varve years. In a next step absolute concentrations of chlorins derived from HPLC measurements have been calibrated to the spectral data using a linear regression model. This results in a very high-resolution dataset of absolute sedimentary pigment concentrations. In a second example µXRF measurements are used to validate a spectral index for clay mineral detection.

Quantitative analysis of nano-pore geomaterials and representative sampling for digital rock physics

NASA Astrophysics Data System (ADS)

Yoon, H.; Dewers, T. A.

2014-12-01

Geomaterials containing nano-pores (e.g., shales and carbonate rocks) have become increasingly important for emerging problems such as unconventional gas and oil resources, enhanced oil recovery, and geologic storage of CO2. Accurate prediction of coupled geophysical and chemical processes at the pore scale requires realistic representation of pore structure and topology. This is especially true for chalk materials, where pore networks are small and complex, and require characterization at sub-micron scale. In this work, we apply laser scanning confocal microscopy to characterize pore structures and microlithofacies at micron- and greater scales and dual focused ion beam-scanning electron microscopy (FIB-SEM) for 3D imaging of nanometer-to-micron scale microcracks and pore distributions. With imaging techniques advanced for nano-pore characterization, a problem of scale with FIB-SEM images is how to take nanometer scale information and apply it to the thin-section or larger scale. In this work, several texture characterization techniques including graph-based spectral segmentation, support vector machine, and principal component analysis are applied for segmentation clusters represented by 1-2 FIB-SEM samples per each cluster. Geometric and topological properties are analyzed and lattice-Boltzmann method (LBM) is used to obtain permeability at several different scales. Upscaling of permeability to the Darcy scale (e.g., the thin-section scale) with image dataset will be discussed with emphasis on understanding microfracture-matrix interaction, representative volume for FIB-SEM sampling, and multiphase flow and reactive transport. Funding from the DOE Basic Energy Sciences Geosciences Program is gratefully acknowledged. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

A spectral X-ray CT simulation study for quantitative determination of iron

NASA Astrophysics Data System (ADS)

Su, Ting; Kaftandjian, Valérie; Duvauchelle, Philippe; Zhu, Yuemin

2018-06-01

Iron is an essential element in the human body and disorders in iron such as iron deficiency or overload can cause serious diseases. This paper aims to explore the ability of spectral X-ray CT to quantitatively separate iron from calcium and potassium and to investigate the influence of different acquisition parameters on material decomposition performance. We simulated spectral X-ray CT imaging of a PMMA phantom filled with iron, calcium, and potassium solutions at various concentrations (15-200 mg/cc). Different acquisition parameters were considered, such as the number of energy bins (6, 10, 15, 20, 30, 60) and exposure factor per projection (0.025, 0.1, 1, 10, 100 mA s). Based on the simulation data, we investigated the performance of two regularized material decomposition approaches: projection domain method and image domain method. It was found that the former method discriminated iron from calcium, potassium and water in all cases and tended to benefit from lower number of energy bins for lower exposure factor acquisition. The latter method succeeded in iron determination only when the number of energy bins equals 60, and in this case, the contrast-to-noise ratios of the decomposed iron images are higher than those obtained using the projection domain method. The results demonstrate that both methods are able to discriminate and quantify iron from calcium, potassium and water under certain conditions. Their performances vary with the acquisition parameters of spectral CT. One can use one method or the other to benefit better performance according to the data available.

Fabrication of 2D and 3D photonic structures using laser lithography

NASA Astrophysics Data System (ADS)

Gaso, P.; Jandura, D.; Pudis, D.

2016-12-01

In this paper we demonstrate possibilities of three-dimensional (3D) printing technology based on two photon polymerization. We used three-dimensional dip-in direct-laser-writing (DLW) optical lithography to fabricate 2D and 3D optical structures for optoelectronics and for optical sensing applications. DLW lithography allows us use a non conventional way how to couple light into the waveguide structure. We prepared ring resonator and we investigated its transmission spectral characteristic. We present 3D inverse opal structure from its design to printing and scanning electron microscope (SEM) imaging. Finally, SEM images of some prepared photonic crystal structures were performed.

Wintertime Experimental investigation of Morphology, Mixing States and Columnar Optical Properties of Aerosols over a Desert location in India

NASA Astrophysics Data System (ADS)

Mishra, S.; Kumar, T.; Sharma, C.; Prasad, M. V. S. N.; Singh, S.; Agnihotri, R.; Arya, B. C.; Gupta, B.; Naaraayanan, T.; Gautam, S.; Kumar, D.; Sood, K. N.; Tawale, J. S.; Sharma, A. K.; Mitra, A. K.

2014-12-01

Indian Desert (The Thar Desert) is considered as the source of mineral dust in the Indo-Gangetic Plain (IGP) especially in pre-monsoon period due to large scale convective activities during hot summer. To study the physico-chemical characteristics of aerosols over the Thar Desert (Jaisalmer, Rajasthan) during winter (December, 2013), a field campaign has been carried out in Jaisalmer in Rajasthan state. Experiments were conducted inside the city as well as far from the city. The faraway location is close to international border of another country i.e. Pakistan. PM2.5 and PM10 were collected within the city while PM5 was collected far from the city. Particles were collected on Teflon filters for bulk analysis with Fourier Transform Infrared Spectroscopy (FTIR), on Tin substrate for individual particle morphology and elemental composition analysis with Scanning Electron Microscope (SEM) equipped with Energy Dispersive Spectrometer (EDS) and on the Cu-TEM grid for individual particle morphology and mixing state characterization using High Resolution-Transmission Electron Microscope (HRTEM). Together with this, aerosol size distribution observation and columnar spectral aerosol optical properties have been carried out with OPC (Optical Particle Counter, GRIMM Model 1.108) and hand held Microtops-II, respectively. HRTEM analysis reveals occurrence of carbonaceous fractals found in various mixing states 1) aged with some hygroscopic species 2) embedded in sulfate host 3) semi-externally mixed with sulfate and other species. Core-shell particles were also observed with varying core composition (carbon, typical mineral dust, and calcite) and shell thickness (shell comprising of water). The back trajectory analysis reveals the source of wind from Karachi and Islamabad from Pakistan which may be the potential source of carbonaceous species over the sampling site. SEM-EDS analysis reveals occurrence of mineral dust 1) pure mineral dust (Ca and Si rich) 2) polluted mineral dust (mixed with carbon and Cr) together with some pollutants (rich in carbon, S, K, Cl, Mo and Nb). Signatures of various organics were traced using FTIR. Aerosol columnar spectral optical properties, size distribution and meteorology in tandem with aforementioned aerosol properties will be discussed in detail during the presentation.

Spectroscopic studies and biological evaluation of some transition metal complexes of azo Schiff-base ligand derived from (1-phenyl-2,3-dimethyl-4-aminopyrazol-5-one) and 5-((4-chlorophenyl)diazenyl)-2-hydroxybenzaldehyde

NASA Astrophysics Data System (ADS)

Anitha, C.; Sheela, C. D.; Tharmaraj, P.; Sumathi, S.

2012-10-01

A series of metal(II) complexes of VO(II), Co(II), Ni(II), Cu(II) and Zn(II) have been synthesized from the azo Schiff base ligand 4-((E)-4-((E)-(4-chlorophenyl)diazenyl)-2-hydroxybenzylideneamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CDHBAP) and characterized by elemental analysis, spectral (IR, UV-Vis, 1H NMR, ESR and EI-mass), magnetic moment measurements, molar conductance, DNA, SEM, X-ray crystallography and fluorescence studies. The electronic absorption spectra and magnetic susceptibility measurements of the complexes indicate square pyramidal geometry for VO(II) and octahedral geometry for all the other complexes. The important infrared (IR) spectral bands corresponding to the active groups in the ligand and the solid complexes under investigation were studied and implies that CDHBAP is coordinated to the metal ions in a neutral tridentate manner. The redox behavior of copper(II) and vanadyl(II) complexes have been studied by cyclic voltammetry. The nuclease activity of the above metal(II) complexes shows that the complexes cleave DNA. All the synthesized complexes can serve as potential photoactive materials as indicated from their characteristic fluorescence properties. The antibacterial and antifungal activities of the synthesized ligand and its metal complexes were screened against bacterial species (Staphylococcus aureus, Salmonella typhi, Escherichia coli, Bacillus subtilis, Shigella sonnie) and fungi (Candida albicans, Aspergillus niger, Rhizoctonia bataicola). Amikacin and Ketoconozole were used as references for antibacterial and antifungal studies. The activity data show that the metal complexes have a promising biological activity comparable with the parent Schiff base ligand against bacterial and fungal species. The second harmonic generation (SHG) efficiency of the ligand was measured and the NLO (non-linear optical) properties of the ligand are expected to result in the realization of advanced optical devices in optical fiber communication (OFC) and optical computing. The SEM image of the copper(II) complex implies that the size of the particles is 1 μm.

SEM Imaging and Chemical Analysis of Aerosol Particles from Surface and Hi-altitudes in New Jersey.

NASA Astrophysics Data System (ADS)

Bandamede, M.; Boaggio, K.; Bancroft, L.; Hurler, K.; Magee, N. B.

2016-12-01

We report on Scanning Electron Microscopy analysis of aerosol particle morphology and chemistry. The work includes the first comparative SEM analysis of aerosol particles captured by balloon at high altitude. The particles were acquired in an urban/suburban environment in central New-Jersey. Particles were sampled from near the surface using ambient air filtration and at high-altitudes using a novel balloon-borne instrument (ICE-Ball, see abstract by K. Boaggio). Particle images and 3D geometry are acquired by a Hitachi SU-5000 SEM, with resolution to approximately 3 nm. Elemental analysis on particles is provided by Energy Dispersive X-Ray Spectroscopy (EDS, EDAX, Inc.). Uncoated imaging is conducted in low vacuum within the variable-pressure SEM, which provides improved detection and analysis of light-element compositions including Carbon. Preliminary results suggest that some similar particle types and chemical species are sampled at both surface and high-altitude. However, as expected, particle morphologies, concentrations, chemistry, and apparent origin vary significantly at different altitudes and under different atmospheric flow regimes. Improved characterization of high-altitude aerosol particles, and differences from surface particulate composition, may advance inputs for atmospheric cloud and radiation models.

Nanostructured zirconium phosphate as ion exchanger: Synthesis, size dependent property and analytical application in radiochemical separation.

PubMed

Chakraborty, Rajesh; Bhattacharaya, Koustava; Chattopadhyay, Pabitra

2014-02-01

Nanostructured zirconium phosphates (ZPs) of different sizes were synthesized using Tritron X-100 (polyethylene glycol-p-isooctylphenyl ether) surfactant. The materials were characterized by FTIR and powdered X-ray diffraction (XRD). The structural and morphological details of the material were established by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). The SEM study was followed by energy dispersive spectroscopic analysis (EDS) for elemental analysis of the sample. The particle sizes were determined by dynamic light scattering (DLS) method. Ion exchange capacity of these nanomaterials towards different metal ions was measured and size-dependent ion exchange property of the materials was investigated thoroughly. The nanomaterial of the smallest size (ca. 21.04nm) was employed to separate carrier-free (137m)Ba from (137)Cs in column chromatographic technique using 1.0M HNO3 as eluting agent at pH=5. © 2013 Elsevier Ltd. All rights reserved.

First oxygen from lunar basalt

NASA Technical Reports Server (NTRS)

Gibson, M. A.; Knudsen, C. W.; Brueneman, D. J.; Kanamori, H.; Ness, R. O.; Sharp, L. L.; Brekke, D. W.; Allen, C. C.; Morris, R. V.; Keller, L. P.

1993-01-01

The Carbotek/Shimizu process to produce oxygen from lunar soils has been successfully demonstrated on actual lunar samples in laboratory facilities at Carbotek with Shimizu funding and support. Apollo sample 70035 containing approximately 25 percent ilmenite (FeTiO3) was used in seven separate reactions with hydrogen varying temperature and pressure: FeTiO3 + H2 yields Fe + TiO2 + H2O. The experiments gave extremely encouraging results as all ilmenite was reduced in every experiment. The lunar ilmenite was found to be about twice as reactive as terrestrial ilmenite samples. Analytical techniques of the lunar and terrestrial ilmenite experiments performed by NASA Johnson Space Center include iron Mossbauer spectroscopy (FeMS), optical microscopy, SEM, TEM, and XRD. The Energy and Environmental Research Center at the University of North Dakota performed three SEM techniques (point count method, morphology determination, elemental mapping), XRD, and optical microscopy.

Surface morphology of chitin highly related with the isolated body part of butterfly (Argynnis pandora).

PubMed

Kaya, Murat; Bitim, Betül; Mujtaba, Muhammad; Koyuncu, Turgay

2015-11-01

This study was conducted to understand the differences in the physicochemical properties of chitin samples isolated from the wings and the other body parts except the wings (OBP) of a butterfly species (Argynnis pandora). The same isolation method was used for obtaining chitin specimens from both types of body parts. The chitin content of the wings (22%) was recorded as being much higher than the OBP (8%). The extracted chitin samples were characterized via FT-IR, TGA, XRD, SEM, and elemental analysis techniques. Results of these characterizations revealed that the chitins from both structures (wings and OBP) were very similar, except for their surface morphologies. SEM results demonstrated one type of surface morphology for the wings and four different surface morphologies for the OBP. Therefore, it can be hypothesized that the surface morphology of the chitin is highly related with the body part. Copyright © 2015 Elsevier B.V. All rights reserved.

On The Effect Of Zinc Melt Composition On The Structure Of Hot-Dip Galvanized Coatings

NASA Astrophysics Data System (ADS)

Konidaris, S.; Pistofidis, N.; Vourlias, G.; Pavlidou, E.; Stergiou, A.; Stergioudis, G.; Polychroniadis, E. K.

2007-04-01

Zinc hot-dip galvanizing is an effective method for the corrosion protection of ferrous materials. A way of improving the results is through the addition of various elements in the zinc melt. In the present work the effect of Ni, Bi, Cr, Mn, Se and Si at concentration of 0.5 or 1.5 wt.% was examined. Coupons of carbon steel St-37 were coated with zinc containing the above-mentioned elements and were exposed in a Salt Spray Chamber (SSC). The micro structure of these coatings was examined with SEM and XRD. In every case the usual morphology was observed, while differences at the thickness and the crystal size of each layer were induced. However the alloying elements were present in the coating affecting its reactivity and, at least in the case of Mn and Cr, improving corrosion resistance.

Gas-phase mercury reduction to measure total mercury in the flue gas of a coal-fired boiler.

PubMed

Meischen, Sandra J; Van Pelt, Vincent J; Zarate, Eugene A; Stephens, Edward A

2004-01-01

Gaseous elemental and total (elemental + oxidized) mercury (Hg) in the flue gas from a coal-fired boiler was measured by a modified ultraviolet (UV) spectrometer. Challenges to Hg measurement were the spectral interferences from other flue gas components and that UV measures only elemental Hg. To eliminate interference from flue gas components, a cartridge filled with gold-coated sand removed elemental Hg from a flue gas sample. The Hg-free flue gas was the reference gas, eliminating the spectral interferences. To measure total Hg by UV, oxidized Hg underwent a gas-phase, thermal-reduction in a quartz cell heated to 750 degrees C. Simultaneously, hydrogen was added to flash react with the oxygen present forming water vapor and preventing Hg re-oxidation as it exits the cell. Hg concentration results are in parts per billion by volume Hg at the flue gas oxygen concentration. The modified Hg analyzer and the Ontario Hydro method concurrently measured Hg at a field test site. Measurements were made at a 700-MW steam turbine plant with scrubber units and selective catalytic reduction. The flue gas sampled downstream of the selective catalytic reduction contained 2100 ppm SO2 and 75 ppm NOx. Total Hg measured by the Hg analyzer was within 20% of the Ontario Hydro results.

Comparison of SP-LIBS and DP-LIBS on metal and non-metal testing based on LIBS

NASA Astrophysics Data System (ADS)

Lin, Xiaomei; Sun, Haoran; Lin, Jingjun

2017-10-01

Laser-induced breakdown spectroscopy (LIBS) technology for metal and nonmetallic detection accuracy is the key technology to be solved in LIBS measurement, Due to metal elements and non-metallic elements in the lively, atomic structure and the degree of excitation of the laser are totally different, so the laser induced plasma evolution and spectral intensity are absolutely different. Among the many factors that affect measurement accuracy, the single and double pulse of the laser has a great influence on the measurement accuracy of metal and non-metal, they both have their own advantages, but also have their own shortcomings. In order to compare the effect of SP-LIBS and DP-LIBS on the measurement results of different elements, in this experiment, we put the metal element aluminum and non-metallic element carbon as the sample, the laser energy as a variable, using the high-speed camera shooting SP- LIBS and DP- LIBS plasma images. Using the spectral analyzer to record the spectral intensity of the elements, by calculating the relative RSD of the signal intensity and comparing the spectral intensity and the signal stability for different elements, develop an optimized experimental program. The experimental results show that under the same energy condition, the metal aluminum ion image under the DP- LIBS and the non-metallic carbon ion image under the SP- LIBS are the most suitable images. By considering the stability of the line intensity and the signal stability, we find that the sensitivity and stability of the signal strength of the metal elements under the double pulse are better than that of the single pulse, and for the non-metallic element, the single pulse laser is better than the double pulse.

Differentiating Pseudomonas sp. strain ADP cells in suspensions and biofilms using Raman spectroscopy and scanning electron microscopy.

PubMed

Henry, Victoria A; Jessop, Julie L P; Peeples, Tonya L

2017-02-01

High quality spectra of Pseudomonas sp. strain ADP in the planktonic and biofilm state were obtained using Raman microspectroscopy. These spectra enabled the identification of key differences between free and biofilm cells in the fingerprint region of Raman spectra in the nucleic acid, carbohydrate, and protein regions. Scanning electron microscopy (SEM) enabled detailed visualization of ADP biofilm with confirmation of associated extracellular matrix structure. Following extraction and Raman analysis of extracellular polymeric substances, Raman spectral differences between free and biofilm cells were largely attributed to the contribution of extracellular matrix components produced in mature biofilms. Raman spectroscopy complemented with SEM proves to be useful in distinguishing physiological properties among cells of the same species. Graphical Abstract Raman spectroscopy complemented with SEM proves to be useful in distinguishing physiological properties among cells of the same species.

A modification of the U.S. Geological Survey one-sixth order semiquantitative spectrographic method for the analysis of geologic materials that improves limits of determination of some volatile to moderately volatile elements

USGS Publications Warehouse

Detra, D.E.; Cooley, Elmo F.

1988-01-01

A modification of the one-sixth order semi-quantitative emission spectrographic method for the analysis of 30 elements in geologic materials (Grimes and Marranzino 1968) improves the limits of determination of some volatile to moderately volatile elements. The modification uses a compound-pendulum-mounted filter to regulate the amount of emitted light passing into the spectrograph. One hundred percent transmission of emitted light is allowed during the initial 20 seconds of the burn, then continually reduced to 40 percent over the next 32 seconds using the pendulum-mounted filter, and followed by an additional 68 seconds of burn time. The reduction of light transmission during the latter part of the burn decreases spectral background and the line emission of less volatile elements commonly responsible for problem-causing interferences. The sensitivity of the method for some geochemically important trace elements commonly determined in mineral exploration (Ag, As, Au, Be, Bi, Cd, Cr, Cu, Pb, Sb, Sn, and Zn) is improved up to five-fold under ideal conditions without compromising precision or accuracy

Scanning electron microscopy and X-ray energy dispersive spectroscopy - useful tools in the analysis of pharmaceutical products

NASA Astrophysics Data System (ADS)

Sarecka-Hujar, Beata; Balwierz, Radoslaw; Ostrozka-Cieslik, Aneta; Dyja, Renata; Lukowiec, Dariusz; Jankowski, Andrzej

2017-11-01

The quality of the drug, its purity and identification of degradation products provide the highest quality of pharmaceutical products. The energy dispersive spectroscopy (EDS) method analyses the percentage of each element form as well as their distribution, and morphological characteristics of the drug form. We analysed the usefulness of EDS method in testing orally disintegrating tablets (ODT) with trimetazidine hydrochloride with high resolution scanning electron microscopy (SEM, SUPRA25 Carl Zeiss company) with spectrophotometer equipped with an X-ray energy dispersion (EDAX Company). The samples of the analysed tablets were imaged after applying conductive layers of gold on their surface. In the EDS analysis the compositions of each sample of the obtained tablets were observed to be virtually identical. The differences in the content of carbon and oxygen came from differences in the composition of particular tablets. The presence of gold in the composition resulted from the sputtering the surface of tablets with gold during the analysis. Knowing the composition of the tablet, SEM-EDS method helps to locate and identify the impurities and degradation products of the compounds, leading to a better understanding of the mechanisms of their formation.

DNS of Flows over Periodic Hills using a Discontinuous-Galerkin Spectral-Element Method

NASA Technical Reports Server (NTRS)

Diosady, Laslo T.; Murman, Scott M.

2014-01-01

Direct numerical simulation (DNS) of turbulent compressible flows is performed using a higher-order space-time discontinuous-Galerkin finite-element method. The numerical scheme is validated by performing DNS of the evolution of the Taylor-Green vortex and turbulent flow in a channel. The higher-order method is shown to provide increased accuracy relative to low-order methods at a given number of degrees of freedom. The turbulent flow over a periodic array of hills in a channel is simulated at Reynolds number 10,595 using an 8th-order scheme in space and a 4th-order scheme in time. These results are validated against previous large eddy simulation (LES) results. A preliminary analysis provides insight into how these detailed simulations can be used to improve Reynoldsaveraged Navier-Stokes (RANS) modeling

Tempest - Efficient Computation of Atmospheric Flows Using High-Order Local Discretization Methods

NASA Astrophysics Data System (ADS)

Ullrich, P. A.; Guerra, J. E.

2014-12-01

The Tempest Framework composes several compact numerical methods to easily facilitate intercomparison of atmospheric flow calculations on the sphere and in rectangular domains. This framework includes the implementations of Spectral Elements, Discontinuous Galerkin, Flux Reconstruction, and Hybrid Finite Element methods with the goal of achieving optimal accuracy in the solution of atmospheric problems. Several advantages of this approach are discussed such as: improved pressure gradient calculation, numerical stability by vertical/horizontal splitting, arbitrary order of accuracy, etc. The local numerical discretization allows for high performance parallel computation and efficient inclusion of parameterizations. These techniques are used in conjunction with a non-conformal, locally refined, cubed-sphere grid for global simulations and standard Cartesian grids for simulations at the mesoscale. A complete implementation of the methods described is demonstrated in a non-hydrostatic setting.

Elemental composition of edible nuts: fast optimization and validation procedure of an ICP-OES method.

PubMed

Tošić, Snežana B; Mitić, Snežana S; Velimirović, Dragan S; Stojanović, Gordana S; Pavlović, Aleksandra N; Pecev-Marinković, Emilija T

2015-08-30

An inductively coupled plasma-optical emission spectrometry method for the speedy simultaneous detection of 19 elements in edible nuts (walnuts: Juglans nigra; almonds: Prunus dulcis; hazelnuts: Corylus avellana; Brazil nuts: Bertholletia excelsa; cashews: Anacardium occidentalle; pistachios: Pistacia vera; and peanuts: Arachis hypogaea) available on the Serbian markets, was optimized and validated through the selection of instrumental parameters and analytical lines free from spectral interference and with the lowest matrix effects. The analysed macro-elements were present in the following descending order: Na > Mg > Ca > K. Of all the trace elements, the tested samples showed the highest content of Fe. The micro-element Se was detected in all the samples of nuts. The toxic elements As, Cd and Pb were either not detected or the contents were below the limit of detection. One-way analysis of variance, Student's t-test, Tukey's HSD post hoc test and hierarchical agglomerative cluster analysis were applied in the statistical analysis of the results. Based on the detected content of analysed elements it can be concluded that nuts may be a good additional source of minerals as micronutrients. © 2014 Society of Chemical Industry.

Study of energy transfer and spectral downshifting in Ce, RE (RE = Nd and Yb) co-doped lanthanum phosphate

NASA Astrophysics Data System (ADS)

Sawala, N. S.; Omanwar, S. K.

2017-03-01

The phosphors LaPO4 (Lanthanum phosphate) doped with Ce(III)/Ce3+ and co-doped with Ce3+-Nd3+ and Ce3+-Yb3+ were effectively synthesized by conventional solid state reaction method. The prepared samples were characterized by powder X-ray diffraction (XRD) and surface morphology was studied by scanning electronic microscope (SEM). The photoluminescence (PL) properties were studied by spectrophotometers in near infrared (NIR) and ultraviolet visible (UV-VIS) region. Additionally the luminescence time decay curves of samples were investigated to confirm energy transfer (ET) process. The Ce3+-Nd3+ ion co-doped LaPO4 phosphors can convert a photon of UV region (278 nm) into photons of NIR region (1058 nm). While Ce3+-Yb3+ ion doped LaPO4 phosphors convert photons of UV region (278 nm) into photons of NIR region (979 nm). The Ce3+ ion acts like sensitizer and Nd3+/Yb3+ ions act as activators. Both kinds of emissions are suitable for improving spectral response of solar cells.

Identification and significance of accessory minerals from a bituminous coal

USGS Publications Warehouse

Finkelman, R.B.; Stanton, R.W.

1978-01-01

A scanning electron microscope (SEM) has been used to study the in situ accessory minerals in polished blocks and pellets of petrographically analysed samples of the Waynesburg coal (hvb). Individual grains from the low-temperature ash (LTA) of the same coal were also studied. The visual resolution of the SEM permitted the detection of submicron mineral grains, which could then be analysed by the attached energy-dispersive system. Emphasis was placed on the highly reflective grains in the carbominerite bands. Among the most abundant accessory minerals observed were rutile, zircon, and rare-earth-bearing minerals. Small (1-5 ??m) particles of what may be authigenic iron-rich chromite and a nickel silicate form rims on quartz grains. The SEM also permits the observation of grain morphology and mineral intergrowths. These data are useful in determining authigenicity and diagenic alteration. Substances in density splits of LTA include authigenic, detrital, extraterrestrial magnetite, tourmaline, and evaporite (?) minerals, and a fluorine-bearing amphibole. This analytical approach allows the determination of specific sites for many of the trace elements in coals. In the Waynesburg coal, most of the chromium is in the iron-chromium rims, the fluorine is in the amphibole, and the rare-earth elements are in rare-earth-bearing minerals. The ability to relate trace-element data to specific minerals will aid in predicting the behaviour of elements in coal during combustion, liquefaction, gasification, weathering, and leaching processes. This ability also permits insight into the degree of mobility of these elements in coal and provides clues to sedimentological and diagenetic conditions. ?? 1978.

Wavelet-based spectral finite element dynamic analysis for an axially moving Timoshenko beam

NASA Astrophysics Data System (ADS)

Mokhtari, Ali; Mirdamadi, Hamid Reza; Ghayour, Mostafa

2017-08-01

In this article, wavelet-based spectral finite element (WSFE) model is formulated for time domain and wave domain dynamic analysis of an axially moving Timoshenko beam subjected to axial pretension. The formulation is similar to conventional FFT-based spectral finite element (SFE) model except that Daubechies wavelet basis functions are used for temporal discretization of the governing partial differential equations into a set of ordinary differential equations. The localized nature of Daubechies wavelet basis functions helps to rule out problems of SFE model due to periodicity assumption, especially during inverse Fourier transformation and back to time domain. The high accuracy of WSFE model is then evaluated by comparing its results with those of conventional finite element and SFE results. The effects of moving beam speed and axial tensile force on vibration and wave characteristics, and static and dynamic stabilities of moving beam are investigated.

Three-dimensional instability of standing waves

NASA Astrophysics Data System (ADS)

Zhu, Qiang; Liu, Yuming; Yue, Dick K. P.

2003-12-01

We investigate the three-dimensional instability of finite-amplitude standing surface waves under the influence of gravity. The analysis employs the transition matrix (TM) approach and uses a new high-order spectral element (HOSE) method for computation of the nonlinear wave dynamics. HOSE is an extension of the original high-order spectral method (HOS) wherein nonlinear wave wave and wave body interactions are retained up to high order in wave steepness. Instead of global basis functions in HOS, however, HOSE employs spectral elements to allow for complex free-surface geometries and surface-piercing bodies. Exponential convergence of HOS with respect to the total number of spectral modes (for a fixed number of elements) and interaction order is retained in HOSE. In this study, we use TM-HOSE to obtain the stability of general three-dimensional perturbations (on a two-dimensional surface) on two classes of standing waves: plane standing waves in a rectangular tank; and radial/azimuthal standing waves in a circular basin. For plane standing waves, we confirm the known result of two-dimensional side-bandlike instability. In addition, we find a novel three-dimensional instability for base flow of any amplitude. The dominant component of the unstable disturbance is an oblique (standing) wave oriented at an arbitrary angle whose frequency is close to the (nonlinear) frequency of the original standing wave. This finding is confirmed by direct long-time simulations using HOSE which show that the nonlinear evolution leads to classical Fermi Pasta Ulam recurrence. For the circular basin, we find that, beyond a threshold wave steepness, a standing wave (of nonlinear frequency Omega) is unstable to three-dimensional perturbations. The unstable perturbation contains two dominant (standing-wave) components, the sum of whose frequencies is close to 2Omega. From the cases we consider, the critical wave steepness is found to generally decrease/increase with increasing radial/azimuthal mode number of the base standing wave. Finally, we show that the instability we find for both two- and three-dimensional standing waves is a result of third-order (quartet) resonance.

The ISPM experiment for spectral, composition and anistropy measurements of charged particles at low energie

NASA Technical Reports Server (NTRS)

Lanzerotti, L. J.; Gold, R. E.; Anderson, K. A.; Armstrong, T. P.; Lin, R. P.; Krimigis, S. M.; Pick, M.; Roelof, E. C.; Sarris, E. T.; Simnett, G. M.

1983-01-01

The Heliosphere Instrument for Spectral, Composition, and Anisotropy at Low Energies (HI-SCALE) designed to measure interplanetary ions and electrons is described. Ions and electrons are detected by five separate solid-state detector telescopes oriented to give complete pitch angle coverage from the spinning spacecraft. Ion elemental abundances are determined by a telescope using a thin front detector element in a three-element telescope. Experiment operation is controlled by a microprocessor-based data system. Inflight calibration is provided by radioactive sources mounted on closable telescope covers. Ion and electron spectral information is determined using broad-energy-range rate channels, and a pulse-height analyzer for more detailed spectra. The instrument weighs 5.775 kg and uses 4.0 W power.

Automated SEM Modal Analysis Applied to the Diogenites

NASA Technical Reports Server (NTRS)

Bowman, L. E.; Spilde, M. N.; Papike, James J.

1996-01-01

Analysis of volume proportions of minerals, or modal analysis, is routinely accomplished by point counting on an optical microscope, but the process, particularly on brecciated samples such as the diogenite meteorites, is tedious and prone to error by misidentification of very small fragments, which may make up a significant volume of the sample. Precise volume percentage data can be gathered on a scanning electron microscope (SEM) utilizing digital imaging and an energy dispersive spectrometer (EDS). This form of automated phase analysis reduces error, and at the same time provides more information than could be gathered using simple point counting alone, such as particle morphology statistics and chemical analyses. We have previously studied major, minor, and trace-element chemistry of orthopyroxene from a suite of diogenites. This abstract describes the method applied to determine the modes on this same suite of meteorites and the results of that research. The modal abundances thus determined add additional information on the petrogenesis of the diogenites. In addition, low-abundance phases such as spinels were located for further analysis by this method.

Synthesis of Silver Nanoparticles from Microbial Source-A Green Synthesis Approach, and Evaluation of its Antimicrobial Activity against Escherichia coli

NASA Astrophysics Data System (ADS)

Behera, S. S.; Jha, S.; Arakha, M.; Panigrahi, T. K.

2012-03-01

TRACT Nanoparticles synthesis by biological methods using various microorganisms, plants, and plant extracts and enzymes have attracted a great attention as these are cost effective, nontoxic, eco-friendly and an alternative to physical and chemical methods. In this research, Silver nanoparticles (Ag-NPs) were synthesized from AgNO3 solution by green synthesis process with the assistance of microbial source only. The detailed characterization of the Ag NPs were carried out using UV-visible spectroscopy, Scanning electron microscopy (SEM), Energy dispersive X-ray Spectroscopy (EDS), Dynamic light scattering (DLS) analysis, and their antimicrobial evaluation was done against Escherichia coli. The UV-visible spectroscopy analysis showed the surface plasmon resonance property of nanoparticles. The DLS analysis showed the particle distribution of synthesized silver nanoparticles in solution, and SEM analysis showed the morphology of nanoparticles. The elemental composition of synthesized sample was confirmed by EDS analysis. Antibacterial assay of synthesized Ag NP was carried out in solid (Nutrient Agar) growth medium against E.coli. The presence of zone of inhibition clearly indicated the antibacterial activity of silver nanoparticles.

Synthesis and characterization of magnetic semiconducting Cu{sub 2}CoSnS{sub 4} nanoparticles

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gupta, Aman; Mokurala, Krishnaiah; Kamble, Anvita

2015-06-24

Multifunctional wurtzite Cu{sub 2}CoSnS{sub 4} (CCoTS) nanoparticles were successfully synthesized by facile hot-injection method using elemental sulfur as sulfur source. As-synthesized CCoTS nanoparticles were characterized using X-ray diffraction (XRD) for phase identification. Morphology of as-prepared nanoparticles was examined using FEG-SEM and FEG-TEM. Resistivity of film was measured using four probe method and it’s value (0.8 Ωcm) lies in the range of semiconductors. Magnetization curve of Cu{sub 2}CoSnS{sub 4} nanoparticles (at room temperature) indicates weak ferromagnetic behavior.

Cu(II), Co(II) and Ni(II) complexes of new Schiff base ligand: Synthesis, thermal and spectroscopic characterizations

NASA Astrophysics Data System (ADS)

Refat, Moamen S.; El-Sayed, Mohamed Y.; Adam, Abdel Majid A.

2013-04-01

Cu(II), Co(II), and Ni(II) complexes were synthesized from 2-[(5-o-chlorophenylazo-2-hydroxybenzylidin)amino]-phenol Schiff base (H2L). Metal ions coordinate in a tetradentate or hexadentate features with these O2N donor ligand, which are characterized by elemental analyses, magnetic moments, infrared, Raman laser, electronic, and 1H NMR spectral studies. The elemental analysis suggests the stoichiometry to be 1:1 (metal:ligand). Reactions with Cu(II), Co(II) and Ni(II), resulted [Cu(H2L)(H2O)2(Cl)]Cl, [Co(H2L)(H2O)3]Cl2ṡ3H2O and [Ni(H2L)(H2O)2]Cl2ṡ6H2O. The thermal decomposition behavior of H2L complexes has been investigated by thermogravimetric analysis (TG/DTG) at a heating rate of 10 °C min-1 under nitrogen atmosphere. The brightness side in this study is to take advantage for the preparation and characterizations of single phases of CuO, CoO and NiO nanoparticles using H2L complexes as precursors via a solid-state decomposition procedure. The crystalline structures of products using X-ray diffractometer (XRD), morphology of particles by scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX) were investigated.

A Petascale Non-Hydrostatic Atmospheric Dynamical Core in the HOMME Framework

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tufo, Henry

The High-Order Method Modeling Environment (HOMME) is a framework for building scalable, conserva- tive atmospheric models for climate simulation and general atmospheric-modeling applications. Its spatial discretizations are based on Spectral-Element (SE) and Discontinuous Galerkin (DG) methods. These are local methods employing high-order accurate spectral basis-functions that have been shown to perform well on massively parallel supercomputers at any resolution and scale particularly well at high resolutions. HOMME provides the framework upon which the CAM-SE community atmosphere model dynamical-core is constructed. In its current incarnation, CAM-SE employs the hydrostatic primitive-equations (PE) of motion, which limits its resolution to simulations coarser thanmore » 0.1 per grid cell. The primary objective of this project is to remove this resolution limitation by providing HOMME with the capabilities needed to build nonhydrostatic models that solve the compressible Euler/Navier-Stokes equations.« less

Optical filters for the Multispectral Instrument (MSI) on Sentinel-2

NASA Astrophysics Data System (ADS)

Merschdorf, M.; Camus, F.; Kirschner, V.

2017-11-01

Multi-spectral optical filters are essential parts of spaceborne optical imagers such as the Multispectral Instrument (MSI) for the Sentinel-2 satellite in the framework of ESA's GMES programme for earth observation. In this development, Jena-Optronik is responsible for the design, manufacturing and test of the spectral filter assemblies. They are the key elements that define the spectral quality of the instrument. Besides the challenging spectral requirements straylight aspects are of crucial importance due to the close neighbourhood of the filter elements to the detector. Results will be presented of the extensive analyses and measurements that have been performed on component and assembly level to ensure the optical performance.

Modeling Particle Exposure in US Trucking Terminals

PubMed Central

Davis, ME; Smith, TJ; Laden, F; Hart, JE; Ryan, LM; Garshick, E

2007-01-01

Multi-tiered sampling approaches are common in environmental and occupational exposure assessment, where exposures for a given individual are often modeled based on simultaneous measurements taken at multiple indoor and outdoor sites. The monitoring data from such studies is hierarchical by design, imposing a complex covariance structure that must be accounted for in order to obtain unbiased estimates of exposure. Statistical methods such as structural equation modeling (SEM) represent a useful alternative to simple linear regression in these cases, providing simultaneous and unbiased predictions of each level of exposure based on a set of covariates specific to the exposure setting. We test the SEM approach using data from a large exposure assessment of diesel and combustion particles in the US trucking industry. The exposure assessment includes data from 36 different trucking terminals across the United States sampled between 2001 and 2005, measuring PM2.5 and its elemental carbon (EC), organic carbon (OC) components, by personal monitoring, and sampling at two indoor work locations and an outdoor “background” location. Using the SEM method, we predict: 1) personal exposures as a function of work related exposure and smoking status; 2) work related exposure as a function of terminal characteristics, indoor ventilation, job location, and background exposure conditions; and 3) background exposure conditions as a function of weather, nearby source pollution, and other regional differences across terminal sites. The primary advantage of SEMs in this setting is the ability to simultaneously predict exposures at each of the sampling locations, while accounting for the complex covariance structure among the measurements and descriptive variables. The statistically significant results and high R2 values observed from the trucking industry application supports the broader use of this approach in exposure assessment modeling. PMID:16856739

A hybrid system for solar irradiance specification

NASA Astrophysics Data System (ADS)

Tobiska, W.; Bouwer, S.

2006-12-01

Space environment research and space weather operations require solar irradiances in a variety of time scales and spectral formats. We describe the development of solar irradiance characterization using four models and systems that are also used for space weather operations. The four models/systems include SOLAR2000 (S2K), SOLARFLARE (SFLR), APEX, and IDAR, which are used by Space Environment Technologies (SET) to provide solar irradiances from the soft X-rays through the visible spectrum. SFLR uses the GOES 0.1 0.8 nm X-rays in combination with a Mewe model subroutine to provide 0.1 30.0 nm irradiances at 0.1 nm spectral resolution, at 1 minute time resolution, and in a 6-hour XUV EUV spectral solar flare evolution forecast with a 7 minute latency and a 2 minute cadence. These irradiances have been calibrated with the SORCE XPS observations and we report on the inclusion of these irradiances into the S2K model. The APEX system is a real-time data retrieval system developed in conjunction with the University of Southern California Space Sciences Center (SSC) to provide SOHO SEM data processing and distribution. SSC provides the updated SEM data to the research community and SET provides the operational data to the space operations community. We describe how the SOHO SEM data, and especially the new S10.7 index, is being integrated directly into the S2K model for space weather operations. The IDAR system has been developed by SET to extract coronal hole boundaries, streamers, coronal loops, active regions, plage, network, and background (internetwork) features from solar images for comparison with solar magnetic features. S2K, SFLR, APEX, and IDAR outputs are integrated through the S2K solar irradiance platform that has become a hybrid system, i.e., a system that is able to produce irradiances using different processes, including empirical and physics-based models combined with real-time data integration.

Different mechanisms for acid weathering of crystalline basalt vs. basaltic glass and implications for detection on Mars

NASA Astrophysics Data System (ADS)

Horgan, B. H. N.; Smith, R.; Christensen, P. R.; Cloutis, E.

2016-12-01

Silica-rich acid leached rinds and coatings occur in volcanic environments on Earth and have been identified using orbital spectroscopy on Mars, but their development is poorly understood. We simulated long-term open-system acid weathering in a laboratory by repeatedly submerging and rinsing crystalline and glassy basalts in pH 1 and 3 acidic solutions for 220 days. Visible/near-infrared (VNIR; 0.3-2.5 μm) and thermal-infrared (TIR; 5-50 μm) spectra of the samples were compared to their microscopic properties from scanning electron microscopy (SEM). While previous studies have shown that exposure to moderately low pH ( 3) solutions can produce mineral precipitates, we find that there is very little spectral or microphysical effect on the underlying parent material. In contrast, materials exposed to very low pH ( 1) solutions were visibly altered in SEM images, and contained regions enriched in amorphous silica. These samples exhibited clear silica VNIR and TIR spectral signatures that increased in intensity with their glass content. In addition, glass exposed to low pH solutions often exhibited blue and concave up VNIR slopes. SEM indicates that these spectral differences correspond to different modes of alteration. In glass, low pH alteration occurs only at the surface and produces a silica-enriched rind. In more crystalline samples, alteration penetrates the interior to cause dissolution and replacement by silica. Thus, along with the pH of the aqueous environment, the crystallinity of a rock can greatly affect the way and the degree to which it is weathered. Because alteration is restricted to the surface of glassy materials, bulk glass is more stable than crystalline basalt under long-term acidic leaching. Leached glasses are consistent with OMEGA and TES spectra of the martian northern lowlands, and may contribute to the high-silica phases detected globally in TES Surface Type 2. Thus, both glass-rich deposits and acidic weathering may have been widespread on Mars.

Near-field flow structures about subcritical surface roughness

NASA Astrophysics Data System (ADS)

Doolittle, Charles J.; Drews, Scott D.; Goldstein, David B.

2014-12-01

Laminar flow over a periodic array of cylindrical surface roughness elements is simulated with an immersed boundary spectral method both to validate the method for subsequent studies and to examine how persistent streamwise vortices are introduced by a low Reynolds number roughness element. Direct comparisons are made with prior studies at a roughness-based Reynolds number Rek (=U(k) k/ν) of 205 and a diameter to spanwise spacing ratio d/λ of 1/3. Downstream velocity contours match present and past experiments very well. The shear layer developed over the top of the roughness element produces the downstream velocity deficit. Upstream of the roughness element, the vortex topology is found to be consistent with juncture flow experiments, creating three cores along the recirculation line. Streamtraces stemming from these upstream cores, however, have unexpectedly little effect on the downstream flowfield as lateral divergence of the boundary layer quickly dissipates their vorticity. Long physical relaxation time of the recirculating wake behind the roughness remains a prominent issue for simulating this type of flowfield.

Numerical modeling of guided ultrasonic waves generated and received by piezoelectric wafer in a Delaminated composite beam

NASA Astrophysics Data System (ADS)

Xu, G. D.; Xu, B. Q.; Xu, C. G.; Luo, Y.

2017-05-01

A spectral finite element method (SFEM) is developed to analyze guided ultrasonic waves in a delaminated composite beam excited and received by a pair of surface-bonded piezoelectric wafers. The displacements of the composite beam and the piezoelectric wafer are represented by Timoshenko beam and Euler Bernoulli theory respectively. The linear piezoelectricity is used to model the electrical-mechanical coupling between the piezoelectric wafer and the beam. The coupled governing equations and the boundary conditions in time domain are obtained by using the Hamilton's principle, and then the SFEM are formulated by transforming the coupled governing equations into frequency domain via the discrete Fourier transform. The guided waves are analyzed while the interaction of waves with delamination is also discussed. The elements needed in SFEM is far fewer than those for finite element method (FEM), which result in a much faster solution speed in this study. The high accuracy of the present SFEM is verified by comparing with the finite element results.

Impact of secondary generated minerals on toxic element immobilization for air pollution control fly ash of a municipal solid waste incinerator.

PubMed

Kitamura, Hiroki; Dahlan, Astryd Viandila; Tian, Yu; Shimaoka, Takayuki; Yamamoto, Takashi; Takahashi, Fumitake

2018-05-12

Impacts of secondary generated minerals on mineralogical and physical immobilization of toxic elements were investigated for chelate-treated air pollution control (APC) fly ash of a municipal solid waste incinerator. Scanning electron microscope (SEM) observation showed that ettringite was generated after the moistening treatment with/without chelate. Although ettringite can incorporate toxic elements into its structure, elemental analysis by energy dispersive X-ray could not find concentrated points of toxic elements in ettringite structure. This implies that mineralogical immobilization of toxic element by the encapsulation to ettringite structure seems to be limited. Physical immobilization was also investigated by SEM observation of the same APC fly ash particles before and after the moistening treatment. The transfer of soluble elements was inhibited only when insoluble minerals such as gypsum were generated and covered the surface of fly ash particles. Neoformed insoluble minerals prevented soluble elements from leaching and transfer. However, such physical immobilization seems to be limited because insoluble mineral formation with surface coverage was monitored only one time of more than 20 observations. Although uncertainty owing to limited samples with limited observations should be considered, this study concludes that mineralogical and physical immobilization of toxic elements by secondary minerals is limited although secondary minerals are always generated on the surface of APC fly ash particles during chelate treatment.

Simplified dichromated gelatin hologram recording process

NASA Technical Reports Server (NTRS)

Georgekutty, Tharayil G.; Liu, Hua-Kuang

1987-01-01

A simplified method for making dichromated gelatin (DCG) holographic optical elements (HOE) has been discovered. The method is much less tedious and it requires a period of processing time comparable with that for processing a silver halide hologram. HOE characteristics including diffraction efficiency (DE), linearity, and spectral sensitivity have been quantitatively investigated. The quality of the holographic grating is very high. Ninety percent or higher diffraction efficiency has been achieved in simple plane gratings made by this process.

Waveform complexity caused by near trench structure and its impact on earthquake source study: application to the 2015 Illapel earthquake sequence

NASA Astrophysics Data System (ADS)

Qian, Y.; Wei, S.; Wu, W.; Ni, S.

2017-12-01

Among various types of 3D heterogeneity in the Earth, trench might be the most complex systems, which includes rapidly varying bathymetry and usually thick sediment below water layer. These structure complexities can cause substantial waveform complexities on seismograms, but their corresponding impact on the earthquake source studies has not yet been well understood. Here we explore those effects via studies of two moderate aftershocks (one near the coast while the other close to the Peru-Chile trench axis) in the 2015 Illapel earthquake sequence. The horizontal locations and depths of these two events are poorly constrained and the reported results of various agencies display substantial variations. Thus, we first relocated the epicenters using the P-wave first arrivals and determined other parameters by waveform fitting. In a jackknifing way, we found that the trench event has large differences between regional and teleseismic solutions, in particular for depth, while the coastal event shows consistent results. The teleseismic P/Pdiff waves between these two events also display distinctly different features. More specifically, the trench event has more complex P/Pdiff waves and stronger coda waves, in terms of amplitude and duration (longer than 100s). The coda waves are coherent across stations at different distances and azimuths, indicating a more likely origin of scattering waves due to 3D heterogeneity near trench. To quantitatively model those 3D effects, we adopted a hybrid waveform simulation approach that computes the 3D wavefield in the source region by the Spectral Element Method (SEM) and then propagates the wavefield to teleseismic and shadow zone distances through the Direct Solution Method (DSM). We incorporated the GEBCO bathymetry and water layer into the SEM simulations and assumed the IASP91 1D model for DSM computation. Comparing with the poor 1D synthetics fitting to the data, we do obtain dramatic improvement in 3D waveform fittings across a series of frequency bands. With sensitivity tests of 3D waveform modeling, the centroid longitude and depth for the near trench event are refined. Our study suggests that the complex trench structure must be taken into account for a reliable analysis of shallow earthquake near trench, in particular for the shallowest tsunamigenic earthquakes.

[Laser Raman spectral investigations of the carbon structure of LiFePO4/C cathode material].

PubMed

Yang, Chao; Li, Yong-Mei; Zhao, Quan-Feng; Gan, Xiang-Kun; Yao, Yao-Chun

2013-10-01

In the present paper, Laser Raman spectral was used to study the carbon structure of LiFePO4/C positive material. The samples were also been characterized by X-ray diffraction (XRD), scanning electron microscope(SEM), selected area electron diffraction (SEAD) and resistivity test. The result indicated that compared with the sp2/sp3 peak area ratios the I(D)/I(G) ratios are not only more evenly but also exhibited some similar rules. However, the studies indicated that there exist differences of I(D)/ I(G) ratios and sp2/sp3 peak area ratios among different points in the same sample. And compared with the samples using citric acid or sucrose as carbon source, the sample which was synthetized with mixed carbon source (mixed by citric acid and sucrose) exhibited higher I(D)/I(G) ratios and sp2/sp3 peak area ratios. Also, by contrast, the differences of I(D)/I(G) ratios and sp2/sp3 peak area ratios among different points in the same sample are less than the single carbon source samples' datas. In the scanning electron microscopy (sem) and transmission electron microscopy (sem) images, we can observed the uneven distributions of carbon coating of the primary particles and the secondary particles, this may be the main reason for not being uniform of difference data in the same sample. The obvious discreteness will affect the normal use of Raman spectroscopy in these tests.

Spectral imaging and passive sampling to investigate particle sources in urban desert regions.

PubMed

Wagner, Jeff; Casuccio, Gary

2014-07-01

Two types of electron microscopy analyses were employed along with geographic information system (GIS) mapping to investigate potential sources of PM2.5 and PM10 (airborne particulate matter smaller than 2.5 and 10 μm, respectively) in two urbanized desert areas known to exhibit PM excursions. Integrated spectral imaging maps were obtained from scanning electron microscopy/energy-dispersive X-ray spectroscopy (SEM/EDS) analyses of 13 filters collected in Imperial Valley, California. Seven were from 24 h PM10 Federal Reference Method (FRM) samplers and six were from PM2.5 FRM samplers. This technique enabled extraction of information from particles collected on complex filter matrices, and indicated that all samples exhibited substantial proportions of crustal particles. Six Imperial PM2.5 and PM10 filters selected from unusually high-PM days exhibited more large particles (2.5-15 and 10-30 μm, respectively) than did filters from low-PM days, and were more consistent with soils analyzed from the region. High winds were present on three of the six high-PM days. One of the high-PM2.5 filters also exhibited substantial fine carbonaceous soot PM, suggesting significant contributions from a combustion source. Computer-controlled SEM/EDS (CCSEM/EDS) was conducted on PM collected with UNC Passive samplers from Phoenix, Arizona. The passive samplers showed good agreement with co-located FRM PM10 and PM2.5 measurements (μg m(-3)), and also enabled detailed individual particle analysis. The CCSEM/EDS data revealed mostly crustal particles in both the Phoenix fine and coarse PM10 fractions. GIS maps of multiple dust-related parameters confirm that both Imperial Valley and Phoenix possess favorable conditions for airborne crustal PM from natural and anthropogenic sources.

Synthesis, spectroscopic, thermal and anticancer studies of metal-antibiotic chelations: Ca(II), Fe(III), Pd(II) and Au(III) chloramphenicol complexes

NASA Astrophysics Data System (ADS)

Al-Khodir, Fatima A. I.; Refat, Moamen S.

2016-09-01

Four Ca(II), Fe(III), Pd(II) and Au(III) complexes of chloramphenicol drug have been synthesized and well characterized using elemental analyses, (infrared, electronic, and 1H-NMR) spectra, magnetic susceptibility measurement, and thermal analyses. Infrared spectral data show that the chloramphenicol drug coordinated to Ca(II), Pd(II) and Au(III) metal ions through two hydroxyl groups with 1:1 or 1:2 M ratios, but Fe(III) ions chelated towards chloramphenicol drug via the oxygen and nitrogen atoms of amide group with 1:2 ratio based on presence of keto↔enol form. The X-ray powder diffraction (XRD), scanning electron microscope (SEM) and transmission electron microscopy (TEM) techniques were used to identify the nano-size particles of both iron(III) and gold(III) chloramphenicol complexes. The antimicrobial assessments of the chloramphenicol complexes were scanned and collected the results against of some kind of bacteria and fungi. The cytotoxic activity of the gold(III) complex was tested against the human colon carcinoma (HCT-116) and human hepatocellular carcinoma (HepG-2) tumor cell lines.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hopkins, Rebecca J.; Lewis, K.; Desyaterik, Yury

Aerosols generated from burning different plant fuels were characterized to determine relationships between chemical, optical and physical properties. Single scattering albedo ({omega}) and Angstrom absorption coefficients ({alpha}{sub ap}) were measured using a photoacoustic technique combined with a reciprocal nephelometer. Carbon-to-oxygen atomic ratios, sp{sup 2} hybridization, elemental composition and morphology of individual particles were measured using scanning transmission X-ray microscopy coupled with near-edge X-ray absorption fine structure spectroscopy (STXM/NEXAFS) and scanning electron microscopy with energy dispersion of X-rays (SEM/EDX). Particles were grouped into three categories based on sp2 hybridization and chemical composition. Measured {omega} (0.4-1.0 at 405 nm) and {alpha}{sub ap}more » (1.0-3.5) values displayed a fuel dependence. The category with sp{sup 2} hybridization >80% had values of {omega} (<0.5) and {alpha}{sub ap} ({approx}1.25) characteristic of light absorbing soot. Other categories with lower sp2 hybridization (20 to 60%) exhibited higher {omega} (>0.8) and {alpha}{sub ap} (1.0 to 3.5) values, indicating increased absorption spectral selectivity.« less

Structural, thermal and optical absorption features of heavy metal oxides doped tellurite rich glasses

NASA Astrophysics Data System (ADS)

Kaky, Kawa M.; Lakshminarayana, G.; Baki, S. O.; Kityk, I. V.; Taufiq-Yap, Y. H.; Mahdi, M. A.

In order to improve tellurite glass stability to be applicable for optical fiber amplifier applications, glasses with the composition of (70 - x)TeO2. (10)ZnO. (10)WO3. (5)Na2O. (5)TiO2. (x)Bi2O3 (x = 1, 2, 3, 4, and 5 mol%) have been produced and characterized using the related methods. Structural properties were investigated using X-ray diffraction (XRD) which confirms the non-crystalline structure and scanning electron microscopy (SEM) micrographs also confirm the XRD results. The energy dispersive X-ray (EDX) analysis profiles show that all the mentioned elements are present in the prepared glasses. Following the IR spectra, all the tellurium bonds such as stretching vibrations of TeO4 tbp and TeO3/TeO3+1 unit are revealed. Raman spectra confirm the presence of different functional groups, actually, it shows bands mainly in four spectral regions: R1 (65-150) cm-1, R2 (280-550) cm-1, R3 (880-950) cm-1 and R4 (916-926) cm-1 and the identified bands are assigned to respective molecular groups. The thermal study was carried out using Differential scanning calorimetry (DSC) which indicates good thermal stability of the synthesized glasses with increasing Bi concentration. From the optical absorption spectra, we evaluated cut-off edge wavelengths and found increasing cutoff wavelength with an increase in Bi2O3 concentration. In the UV-Visible region, optical band gap energy and allowed transitions were investigated using three methods; direct, indirect, and absorption spectrum fitting (ASF), and band gaps from indirect and ASF were matched.

Study on the influence of X-ray tube spectral distribution on the analysis of bulk samples and thin films: Fundamental parameters method and theoretical coefficient algorithms

NASA Astrophysics Data System (ADS)

Sitko, Rafał

2008-11-01

Knowledge of X-ray tube spectral distribution is necessary in theoretical methods of matrix correction, i.e. in both fundamental parameter (FP) methods and theoretical influence coefficient algorithms. Thus, the influence of X-ray tube distribution on the accuracy of the analysis of thin films and bulk samples is presented. The calculations are performed using experimental X-ray tube spectra taken from the literature and theoretical X-ray tube spectra evaluated by three different algorithms proposed by Pella et al. (X-Ray Spectrom. 14 (1985) 125-135), Ebel (X-Ray Spectrom. 28 (1999) 255-266), and Finkelshtein and Pavlova (X-Ray Spectrom. 28 (1999) 27-32). In this study, Fe-Cr-Ni system is selected as an example and the calculations are performed for X-ray tubes commonly applied in X-ray fluorescence analysis (XRF), i.e., Cr, Mo, Rh and W. The influence of X-ray tube spectra on FP analysis is evaluated when quantification is performed using various types of calibration samples. FP analysis of bulk samples is performed using pure-element bulk standards and multielement bulk standards similar to the analyzed material, whereas for FP analysis of thin films, the bulk and thin pure-element standards are used. For the evaluation of the influence of X-ray tube spectra on XRF analysis performed by theoretical influence coefficient methods, two algorithms for bulk samples are selected, i.e. Claisse-Quintin (Can. Spectrosc. 12 (1967) 129-134) and COLA algorithms (G.R. Lachance, Paper Presented at the International Conference on Industrial Inorganic Elemental Analysis, Metz, France, June 3, 1981) and two algorithms (constant and linear coefficients) for thin films recently proposed by Sitko (X-Ray Spectrom. 37 (2008) 265-272).

Numerical modeling of zero-offset laboratory data in a strong topographic environment: results for a spectral-element method and a discretized Kirchhoff integral method

NASA Astrophysics Data System (ADS)

Favretto-Cristini, Nathalie; Tantsereva, Anastasiya; Cristini, Paul; Ursin, Bjørn; Komatitsch, Dimitri; Aizenberg, Arkady M.

2014-08-01

Accurate simulation of seismic wave propagation in complex geological structures is of particular interest nowadays. However conventional methods may fail to simulate realistic wavefields in environments with great and rapid structural changes, due for instance to the presence of shadow zones, diffractions and/or edge effects. Different methods, developed to improve seismic modeling, are typically tested on synthetic configurations against analytical solutions for simple canonical problems or reference methods, or via direct comparison with real data acquired in situ. Such approaches have limitations, especially if the propagation occurs in a complex environment with strong-contrast reflectors and surface irregularities, as it can be difficult to determine the method which gives the best approximation of the "real" solution, or to interpret the results obtained without an a priori knowledge of the geologic environment. An alternative approach for seismics consists in comparing the synthetic data with high-quality data collected in laboratory experiments under controlled conditions for a known configuration. In contrast with numerical experiments, laboratory data possess many of the characteristics of field data, as real waves propagate through models with no numerical approximations. We thus present a comparison of laboratory-scaled measurements of 3D zero-offset wave reflection of broadband pulses from a strong topographic environment immersed in a water tank with numerical data simulated by means of a spectral-element method and a discretized Kirchhoff integral method. The results indicate a good quantitative fit in terms of time arrivals and acceptable fit in amplitudes for all datasets.

Risk Management using Dependency Stucture Matrix

NASA Astrophysics Data System (ADS)

Petković, Ivan

2011-09-01

An efficient method based on dependency structure matrix (DSM) analysis is given for ranking risks in a complex system or process whose entities are mutually dependent. This rank is determined according to the element's values of the unique positive eigenvector which corresponds to the matrix spectral radius modeling the considered engineering system. For demonstration, the risk problem of NASA's robotic spacecraft is analyzed.

Method and program product for determining a radiance field in an optical environment

NASA Technical Reports Server (NTRS)

Reinersman, Phillip N. (Inventor); Carder, Kendall L. (Inventor)

2007-01-01

A hybrid method is presented by which Monte Carlo techniques are combined with iterative relaxation techniques to solve the Radiative Transfer Equation in arbitrary one-, two- or three-dimensional optical environments. The optical environments are first divided into contiguous regions, or elements, with Monte Carlo techniques then being employed to determine the optical response function of each type of element. The elements are combined, and the iterative relaxation techniques are used to determine simultaneously the radiance field on the boundary and throughout the interior of the modeled environment. This hybrid model is capable of providing estimates of the under-water light field needed to expedite inspection of ship hulls and port facilities. It is also capable of providing estimates of the subaerial light field for structured, absorbing or non-absorbing environments such as shadows of mountain ranges within and without absorption spectral bands such as water vapor or CO.sub.2 bands.

[High Precision Identification of Igneous Rock Lithology by Laser Induced Breakdown Spectroscopy].

PubMed

Wang, Chao; Zhang, Wei-gang; Yan, Zhi-quan

2015-09-01

In the field of petroleum exploration, lithology identification of finely cuttings sample, especially high precision identification of igneous rock with similar property, has become one of the geological problems. In order to solve this problem, a new method is proposed based on element analysis of Laser-Induced Breakdown Spectroscopy (LIBS) and Total Alkali versus Silica (TAS) diagram. Using independent LIBS system, factors influencing spectral signal, such as pulse energy, acquisition time delay, spectrum acquisition method and pre-ablation are researched through contrast experiments systematically. The best analysis conditions of igneous rock are determined: pulse energy is 50 mJ, acquisition time delay is 2 μs, the analysis result is integral average of 20 different points of sample's surface, and pre-ablation has been proved not suitable for igneous rock sample by experiment. The repeatability of spectral data is improved effectively. Characteristic lines of 7 elements (Na, Mg, Al, Si, K, Ca, Fe) commonly used for lithology identification of igneous rock are determined, and igneous rock samples of different lithology are analyzed and compared. Calibration curves of Na, K, Si are generated by using national standard series of rock samples, and all the linearly dependent coefficients are greater than 0.9. The accuracy of quantitative analysis is investigated by national standard samples. Element content of igneous rock is analyzed quantitatively by calibration curve, and its lithology is identified accurately by the method of TAS diagram, whose accuracy rate is 90.7%. The study indicates that LIBS can effectively achieve the high precision identification of the lithology of igneous rock.

Acidic weathering of basalt and basaltic glass: 1. Near-infrared spectra, thermal infrared spectra, and implications for Mars

NASA Astrophysics Data System (ADS)

Horgan, Briony H. N.; Smith, Rebecca J.; Cloutis, Edward A.; Mann, Paul; Christensen, Philip R.

2017-01-01

Acid-leached rinds and coatings occur in volcanic environments on Earth and have been identified using orbital spectroscopy on Mars, but their development is poorly understood. We simulated long-term open-system acidic weathering in a laboratory by repeatedly rinsing and submerging crystalline and glassy basalts in pH 1 and pH 3 acidic solutions for 213 days and compared their visible/near-infrared (0.3-2.5 µm) and thermal infrared (5-50 µm) spectral characteristics to their microscopic physical and chemical properties from scanning electron microscopy (SEM). We find that while alteration at moderately low pH ( 3) can produce mineral precipitates from solution, it has very little spectral or physical effect on the underlying parent material. In contrast, alteration at very low pH ( 1) results in clear silica spectral signatures for all crystalline samples while glasses exhibit strong blue concave-up near-infrared slopes. SEM indicates that these spectral differences correspond to different modes of alteration. In glass, alteration occurs only at the surface and produces a silica-enriched leached rind, while in more crystalline samples, alteration penetrates the interior to cause dissolution and replacement by silica. We confirm that glass is more stable than crystalline basalt under long-term acidic leaching, suggesting that glass could be enriched and common in terrains on Mars that have been exposed to acidic weathering. Leached glasses are consistent with both OMEGA and Thermal Emission Spectrometer (TES) spectra of the Martian northern lowlands and may contribute to the high-silica phases detected globally in TES Surface Type 2. Thus, both glass-rich deposits and acidic weathering may have been widespread on Mars.

On the utilization of novel spectral laser scanning for three-dimensional classification of vegetation elements.

PubMed

Li, Zhan; Schaefer, Michael; Strahler, Alan; Schaaf, Crystal; Jupp, David

2018-04-06

The Dual-Wavelength Echidna Lidar (DWEL), a full waveform terrestrial laser scanner (TLS), has been used to scan a variety of forested and agricultural environments. From these scanning campaigns, we summarize the benefits and challenges given by DWEL's novel coaxial dual-wavelength scanning technology, particularly for the three-dimensional (3D) classification of vegetation elements. Simultaneous scanning at both 1064 nm and 1548 nm by DWEL instruments provides a new spectral dimension to TLS data that joins the 3D spatial dimension of lidar as an information source. Our point cloud classification algorithm explores the utilization of both spectral and spatial attributes of individual points from DWEL scans and highlights the strengths and weaknesses of each attribute domain. The spectral and spatial attributes for vegetation element classification each perform better in different parts of vegetation (canopy interior, fine branches, coarse trunks, etc.) and under different vegetation conditions (dead or live, leaf-on or leaf-off, water content, etc.). These environmental characteristics of vegetation, convolved with the lidar instrument specifications and lidar data quality, result in the actual capabilities of spectral and spatial attributes to classify vegetation elements in 3D space. The spectral and spatial information domains thus complement each other in the classification process. The joint use of both not only enhances the classification accuracy but also reduces its variance across the multiple vegetation types we have examined, highlighting the value of the DWEL as a new source of 3D spectral information. Wider deployment of the DWEL instruments is in practice currently held back by challenges in instrument development and the demands of data processing required by coaxial dual- or multi-wavelength scanning. But the simultaneous 3D acquisition of both spectral and spatial features, offered by new multispectral scanning instruments such as the DWEL, opens doors to study biophysical and biochemical properties of forested and agricultural ecosystems at more detailed scales.

The dynamic improvement methods of energy efficiency and reliability of oil production submersible electric motors

NASA Astrophysics Data System (ADS)

Romanov, V. S.; Goldstein, V. G.

2018-01-01

In the organization of production and operation of submersible electric motors (ESP), as the most essential element of electric submersible plants (ESP) in the oil industry, it is necessary to consider specific operating conditions. The submersible electric motors (SEM) as most essential element of electrosubmersible installations (EI) in oil branch accounting of operation specific conditions is necessary in the process production and operation. They are determined by the conditions under which the EPU is operated. They are defined by the EPU operation conditions. For a complete picture the current state of the SED fleet in oil production, the results of its statistical analysis are given. For a comprehensive idea of the SEM park current state the results of statistical analysis are given in oil production. Currently, assessed the performance of submersible equipment produced by major manufacturers. Currently the operational characteristics assessment of the submersible equipment released by the main producers is given. It is stated that standard equipment cannot fully ensure efficient operation with the help of serial EIs, therefore new technologies and corresponding equipment are required to be developed. It is noted that the standard equipment could not provide fully effective operation by means of serial ESP therefore new technologies development and the corresponding equipment are required.

Poly (N-ethyl aniline)/Ag Nanocomposite as Humidity Sensor

NASA Astrophysics Data System (ADS)

Pande, Nishigandh S.; Jaspal, Dipika; Ambekar, Jalindar

Poly (N-ethyl aniline)/Ag organic-inorganic composite has been synthesized by a single step in situ chemical oxidative polymerization method. The synthesis of Poly (N-ethyl aniline)/Ag nanocomposite has been confirmed by X-ray diffraction (XRD), Ultraviolet-Vis Spectroscopy (UV-visible), Fourier transform infrared analysis (FTIR) and FE-SEM investigations. XRD spectral study exhibited major diffraction in the range 20-80∘ (2θ) and indicated the semicrystalline nature of poly (N-ethyl aniline)/Ag nanocomposite. Characteristic peaks in UV-visible and FTIR spectra of poly (N-ethyl aniline) switched to higher wave numbers in poly (N-ethyl aniline)/Ag nanocomposite. Peaks at 1789cm-1, 1595cm-1, 667cm-1 and 501cm-1 in FTIR spectrum confirmed the formation of poly (N-ethyl aniline)/Ag nanocomposite. FE-SEM photographs reported agglomerated granular particulate nature of poly (N-ethyl aniline)/Ag nanocomposite. Synthesized poly (N-ethyl aniline)/Ag nanocomposite exhibited a high response to humidity, good reproducibility and stability at room temperature. An appreciable response was shown in the presence of 40% humid atmosphere for up to successive four cycles. Composite sensitivity has been found to increase with the increasing concentration of humidity, at room temperature.

Study of Site Response in the Seattle and Tacoma Basins, Washington, Using Spectral Ratio Methods

NASA Astrophysics Data System (ADS)

Keshvardoost, R.; Wolf, L. W.

2014-12-01

Sedimentary basins are known to have a pronounced influence on earthquake-generated ground motions, affecting both predominant frequencies and wave amplification. These site characteristics are important elements in estimating ground shaking and seismic hazard. In this study, we use three-component broadband and strong motion seismic data from three recent earthquakes to determine site response characteristics in the Seattle and Tacoma basins, Washington. Resonant frequencies and relative amplification of ground motions were determined using Fourier spectral ratios of velocity and acceleration records from the 2012 Mw 6.1 Vancouver Island earthquake, the 2012 Mw 7.8 Queen Charlotte Island earthquake, and the 2014 Mw 6.6 Vancouver Island earthquake. Recordings from sites within and adjacent to the Seattle and Tacoma basins were selected for the study based on their signal to noise ratios. Both the Standard Spectral Ratio (SSR) and the Horizontal-to-Vertical Spectral Ratio (HVSR) methods were used in the analysis, and results from each were compared to examine their agreement and their relation to local geology. Although 57% of the sites (27 out of 48) exhibited consistent results between the two methods, other sites varied considerably. In addition, we use data from the Seattle Liquefaction Array (SLA) to evaluate the site response at 4 different depths. Results indicate that resonant frequencies remain the same at different depths but amplification decreases significantly over the top 50 m.

Investigation of surface wave amplitudes in 3-D velocity and 3-D Q models

NASA Astrophysics Data System (ADS)

Ruan, Y.; Zhou, Y.

2010-12-01

It has been long recognized that seismic amplitudes depend on both wave speed structures and anelasticity (Q) structures. However, the effects of lateral heterogeneities in wave speed and Q structures on seismic amplitudes has not been well understood. We investigate the effects of 3-D wave speed and 3-D anelasticity (Q) structures on surface-wave amplitudes based upon wave propagation simulations of twelve globally-distributed earthquakes and 801 stations in Earth models with and without lateral heterogeneities in wave speed and anelasticity using a Spectral Element Method (SEM). Our tomographic-like 3-D Q models are converted from a velocity model S20RTS using a set of reasonable mineralogical parameters, assuming lateral perturbations in both velocity and Q are due to temperature perturbations. Surface-wave amplitude variations of SEM seismograms are measured in the period range of 50--200 s using boxcar taper, cosine taper and Slepian multi-tapers. We calculate ray-theoretical predictions of surface-wave amplitude perturbations due to elastic focusing, attenuation, and anelastic focusing which respectively depend upon the second spatial derivative (''roughness'') of perturbations in phase velocity, 1/Q, and the roughness of perturbations in 1/Q. Both numerical experiments and theoretical calculations show that (1) for short-period (~ 50 s) surface waves, the effects of amplitude attenuation due to 3-D Q structures are comparable with elastic focusing effects due to 3-D wave speed structures; and (2) for long-period (> 100 s) surface waves, the effects of attenuation become much weaker than elastic focusing; and (3) elastic focusing effects are correlated with anelastic focusing at all periods due to the correlation between velocity and Q models; and (4) amplitude perturbations are depend on measurement techniques and therefore cannot be directly compared with ray-theoretical predictions because ray theory does not account for the effects of measurement techniques. We calculate 3-D finite-frequency sensitivity of surface-wave amplitude to perturbations in wave speed and anelasticity (Q) which fully account for the effects of elastic focusing, attenuation, anelastic focusing as well as measurement techniques. We show that amplitude perturbations calculated using wave speed and Q sensitivity kernels agree reasonably well with SEM measurements and therefore the sensitivity kernels can be used in a joint inversion of seismic phase delays and amplitudes to simultaneously image high resolution 3-D wave speed and 3-D Q structures in the upper mantle.

Optical element for full spectral purity from IR-generated EUV light sources

NASA Astrophysics Data System (ADS)

van den Boogaard, A. J. R.; Louis, E.; van Goor, F. A.; Bijkerk, F.

2009-03-01

Laser produced plasma (LLP) sources are generally considered attractive for high power EUV production in next generation lithography equipment. Such plasmas are most efficiently excited by the relatively long, infrared wavelengths of CO2-lasers, but a significant part of the rotational-vibrational excitation lines of the CO2 radiation will be backscattered by the plasma's critical density surface and consequently will be present as parasitic radiation in the spectrum of such sources. Since most optical elements in the EUV collecting and imaging train have a high reflection coefficient for IR radiation, undesirable heating phenomena at the resist level are likely to occur. In this study a completely new principle is employed to obtain full separation of EUV and IR radiation from the source by a single optical component. While the application of a transmission filter would come at the expense of EUV throughput, this technique potentially enables wavelength separation without loosing reflectance compared to a conventional Mo/Si multilayer coated element. As a result this method provides full spectral purity from the source without loss in EUV throughput. Detailed calculations on the principal of functioning are presented.

Soil fertility affects elemental distribution in needles of the conifer Araucaria angustifolia: A microanalytical study

USDA-ARS?s Scientific Manuscript database

Araucaria angustifolia is a conifer species found in South American subtropical forests that comprises less than 3% of the native vegetation. Thus, little is known concerning the accumulation of nutritional elements in its needles. In this study, scanning electron microscopy (SEM) coupled with energ...

Higher-order adaptive finite-element methods for Kohn–Sham density functional theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Motamarri, P.; Nowak, M.R.; Leiter, K.

2013-11-15

We present an efficient computational approach to perform real-space electronic structure calculations using an adaptive higher-order finite-element discretization of Kohn–Sham density-functional theory (DFT). To this end, we develop an a priori mesh-adaption technique to construct a close to optimal finite-element discretization of the problem. We further propose an efficient solution strategy for solving the discrete eigenvalue problem by using spectral finite-elements in conjunction with Gauss–Lobatto quadrature, and a Chebyshev acceleration technique for computing the occupied eigenspace. The proposed approach has been observed to provide a staggering 100–200-fold computational advantage over the solution of a generalized eigenvalue problem. Using the proposedmore » solution procedure, we investigate the computational efficiency afforded by higher-order finite-element discretizations of the Kohn–Sham DFT problem. Our studies suggest that staggering computational savings—of the order of 1000-fold—relative to linear finite-elements can be realized, for both all-electron and local pseudopotential calculations, by using higher-order finite-element discretizations. On all the benchmark systems studied, we observe diminishing returns in computational savings beyond the sixth-order for accuracies commensurate with chemical accuracy, suggesting that the hexic spectral-element may be an optimal choice for the finite-element discretization of the Kohn–Sham DFT problem. A comparative study of the computational efficiency of the proposed higher-order finite-element discretizations suggests that the performance of finite-element basis is competing with the plane-wave discretization for non-periodic local pseudopotential calculations, and compares to the Gaussian basis for all-electron calculations to within an order of magnitude. Further, we demonstrate the capability of the proposed approach to compute the electronic structure of a metallic system containing 1688 atoms using modest computational resources, and good scalability of the present implementation up to 192 processors.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brozek, Eric M. ..; Washton, Nancy M.; Mueller, Karl T.

A series of silsesquioxane nanoparticles containing reactive internal organic functionalities throughout the entire particle body have been synthesized using a surfactant-free method with organosilanes as the sole precursors and a base catalyst. The organic functional groups incorporated are vinyl, allyl, mercapto, cyanoethyl, and cyanopropyl groups. The sizes and morphologies of the particles were characterized using SEM and nitrogen adsorption, while the compositions were confirmed using TGA, FT-IR, solid state NMR, and elemental analysis. The accessibility and reactivity of the functional groups inside the particles were demonstrated by performing bromination and reduction reactions in the interior of the particles.

Studies on temperature coefficient of resistivity of Cu2Se - V2O5 nanocomposite

NASA Astrophysics Data System (ADS)

Sairam, S.; Rai, Ranjan; Molli, Muralikrishna

2018-05-01

Nanocomposite of Copper Selenide in Vanadium Pentoxide (Cu2Se-V2O5) was prepared and characterized using XRD for phase analysis, SEM for morphology, and EDAX for elemental analysis. Electrical resistivity measurement was carried out using van der Pauw method as a function of temperature from 35 °C to 170 °C for 5 mol% Cu2Se - 95 mol%V2O5 composite. The temperature coefficient of resistivity was found to be -1.8% per °C.

Fast parallel tandem mass spectral library searching using GPU hardware acceleration

PubMed Central

Baumgardner, Lydia Ashleigh; Shanmugam, Avinash Kumar; Lam, Henry; Eng, Jimmy K.; Martin, Daniel B.

2011-01-01

Mass spectrometry-based proteomics is a maturing discipline of biologic research that is experiencing substantial growth. Instrumentation has steadily improved over time with the advent of faster and more sensitive instruments collecting ever larger data files. Consequently, the computational process of matching a peptide fragmentation pattern to its sequence, traditionally accomplished by sequence database searching and more recently also by spectral library searching, has become a bottleneck in many mass spectrometry experiments. In both of these methods, the main rate limiting step is the comparison of an acquired spectrum with all potential matches from a spectral library or sequence database. This is a highly parallelizable process because the core computational element can be represented as a simple but arithmetically intense multiplication of two vectors. In this paper we present a proof of concept project taking advantage of the massively parallel computing available on graphics processing units (GPUs) to distribute and accelerate the process of spectral assignment using spectral library searching. This program, which we have named FastPaSS (for Fast Parallelized Spectral Searching) is implemented in CUDA (Compute Unified Device Architecture) from NVIDIA which allows direct access to the processors in an NVIDIA GPU. Our efforts demonstrate the feasibility of GPU computing for spectral assignment, through implementation of the validated spectral searching algorithm SpectraST in the CUDA environment. PMID:21545112