Linearly exact parallel closures for slab geometry

NASA Astrophysics Data System (ADS)

Ji, Jeong-Young; Held, Eric D.; Jhang, Hogun

2013-08-01

Parallel closures are obtained by solving a linearized kinetic equation with a model collision operator using the Fourier transform method. The closures expressed in wave number space are exact for time-dependent linear problems to within the limits of the model collision operator. In the adiabatic, collisionless limit, an inverse Fourier transform is performed to obtain integral (nonlocal) parallel closures in real space; parallel heat flow and viscosity closures for density, temperature, and flow velocity equations replace Braginskii's parallel closure relations, and parallel flow velocity and heat flow closures for density and temperature equations replace Spitzer's parallel transport relations. It is verified that the closures reproduce the exact linear response function of Hammett and Perkins [Phys. Rev. Lett. 64, 3019 (1990)] for Landau damping given a temperature gradient. In contrast to their approximate closures where the vanishing viscosity coefficient numerically gives an exact response, our closures relate the heat flow and nonvanishing viscosity to temperature and flow velocity (gradients).

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package.

PubMed

Womack, James C; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-28

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

NASA Astrophysics Data System (ADS)

Womack, James C.; Mardirossian, Narbe; Head-Gordon, Martin; Skylaris, Chris-Kriton

2016-11-01

Accurate and computationally efficient exchange-correlation functionals are critical to the successful application of linear-scaling density functional theory (DFT). Local and semi-local functionals of the density are naturally compatible with linear-scaling approaches, having a general form which assumes the locality of electronic interactions and which can be efficiently evaluated by numerical quadrature. Presently, the most sophisticated and flexible semi-local functionals are members of the meta-generalized-gradient approximation (meta-GGA) family, and depend upon the kinetic energy density, τ, in addition to the charge density and its gradient. In order to extend the theoretical and computational advantages of τ-dependent meta-GGA functionals to large-scale DFT calculations on thousands of atoms, we have implemented support for τ-dependent meta-GGA functionals in the ONETEP program. In this paper we lay out the theoretical innovations necessary to implement τ-dependent meta-GGA functionals within ONETEP's linear-scaling formalism. We present expressions for the gradient of the τ-dependent exchange-correlation energy, necessary for direct energy minimization. We also derive the forms of the τ-dependent exchange-correlation potential and kinetic energy density in terms of the strictly localized, self-consistently optimized orbitals used by ONETEP. To validate the numerical accuracy of our self-consistent meta-GGA implementation, we performed calculations using the B97M-V and PKZB meta-GGAs on a variety of small molecules. Using only a minimal basis set of self-consistently optimized local orbitals, we obtain energies in excellent agreement with large basis set calculations performed using other codes. Finally, to establish the linear-scaling computational cost and applicability of our approach to large-scale calculations, we present the outcome of self-consistent meta-GGA calculations on amyloid fibrils of increasing size, up to tens of thousands of atoms.

Correlations between quasi-coherent fluctuations and the pedestal evolution during the inter-edge localized modes phase on DIII-D

DOE PAGES

Diallo, A.; Groebner, R. J.; Rhodes, T. L.; ...

2015-05-15

Direct measurements of the pedestal recovery during an edge-localized mode cycle provide evidence that quasi-coherent fluctuations (QCFs) play a role in the inter-ELM pedestal dynamics. When using fast Thomson scattering measurements, we found that the pedestal density and temperature evolutions are probed on sub-millisecond time scales to show a fast recovery of the density gradient compared to the temperature gradient. The temperature gradient appears to provide a drive for the onset of quasi-coherent fluctuations (as measured with the magnetic probe and the density diagnostics) localized in the pedestal. The amplitude evolution of these QCFs tracks the temperature gradient evolution includingmore » its saturation. Such correlation suggests that these QCFs play a key role in limiting the pedestal temperature gradient. Moreover, the saturation of the QCFs coincides with the pressure gradient reaching the kinetic-ballooning mode (KBM) critical gradient as predicted by EPED1. Furthermore, linear microinstability analysis using GS2 indicates that the steep gradient is near the KBM threshold. Finally, the modeling and the observations together suggest that QCFs are consistent with dominant KBMs, although microtearing cannot be excluded as subdominant.« less

Density-Gradient-Driven trapped-electron-modes in improved-confinement RFP plasmas

NASA Astrophysics Data System (ADS)

Duff, James

2016-10-01

Short wavelength density fluctuations in improved-confinement MST plasmas exhibit multiple features characteristic of the trapped-electron-mode (TEM), strong evidence that drift wave turbulence emerges in RFP plasmas when transport associated with MHD tearing is reduced. Core transport in the RFP is normally governed by magnetic stochasticity stemming from long wavelength tearing modes that arise from current profile peaking. Using inductive control, the tearing modes are reduced and global confinement is increased to values expected for a comparable tokamak plasma. The improved confinement is associated with a large increase in the pressure gradient that can destabilize drift waves. The measured density fluctuations have frequencies >50 kHz, wavenumbers k_phi*rho_s<0.14, and propagate in the electron drift direction. Their spectral emergence coincides with a sharp decrease in fluctuations associated with global tearing modes. Their amplitude increases with the local density gradient, and they exhibit a density-gradient threshold at R/L_n 15, higher than in tokamak plasmas by R/a. the GENE code, modified for RFP equilibria, predicts the onset of microinstability for these strong-gradient plasma conditions. The density-gradient-driven TEM is the dominant instability in the region where the measured density fluctuations are largest, and the experimental threshold-gradient is close to the predicted critical gradient for linear stability. While nonlinear analysis shows a large Dimits shift associated with predicted strong zonal flows, the inclusion of residual magnetic fluctuations causes a collapse of the zonal flows and an increase in the predicted transport to a level close to the experimentally measured heat flux. Similar circumstances could occur in the edge region of tokamak plasmas when resonant magnetic perturbations are applied for the control of ELMs. Work supported by US DOE.

Work-function calculations for a symmetrical total-charge-density profile at the metallic surface

NASA Astrophysics Data System (ADS)

Wojciechowski, K. F.; Sobańska-Nowotnik, M.

1983-07-01

It is shown that, if the total-charge-density profile nT(x) at the surface of jellium satisfies the Budd-Vannimenus constraint and also is a symmetrical function of x, relative to the ordinate axis, then the work-function variation versus the Wigner-Seitz radius rs does not depend on the form of nT(x). Also the simple linear-density profile is used to calculate the work function by application of the variational principle for the energy, including the first and second density-gradient corrections to the kinetic energy and the first gradient correction to the exchange and correlation energy. The results for the work function are in good agreement with the polycrystalline values for low-density metals.

Radar observations of density gradients, electric fields, and plasma irregularities near polar cap patches in the context of the gradient-drift instability

NASA Astrophysics Data System (ADS)

Lamarche, Leslie J.; Makarevich, Roman A.

2017-03-01

We present observations of plasma density gradients, electric fields, and small-scale plasma irregularities near a polar cap patch made by the Super Dual Auroral Radar Network radar at Rankin Inlet (RKN) and the northern face of Resolute Bay Incoherent Scatter Radar (RISR-N). RKN echo power and occurrence are analyzed in the context of gradient-drift instability (GDI) theory, with a particular focus on the previously uninvestigated 2-D dependencies on wave propagation, electric field, and gradient vectors, with the latter two quantities evaluated directly from RISR-N measurements. It is shown that higher gradient and electric field components along the wave vector generally lead to the higher observed echo occurrence, which is consistent with the expected higher GDI growth rate, but the relationship with echo power is far less straightforward. The RKN echo power increases monotonically as the predicted linear growth rate approaches zero from negative values but does not continue this trend into positive growth rate values, in contrast with GDI predictions. The observed greater consistency of echo occurrence with GDI predictions suggests that GDI operating in the linear regime can control basic plasma structuring, but measured echo strength may be affected by other processes and factors, such as multistep or nonlinear processes or a shear-driven instability.

Role of density gradient driven trapped electron mode turbulence in the H-mode inner core with electron heating

DOE PAGES

Ernst, D. R.; Burrell, K. H.; Guttenfelder, W.; ...

2016-05-10

In a series of DIII-D [J. L. Luxon, Nucl. Fusion 42 614 (2002)] low torque quiescent H-mode experiments show that density gradient driven TEM (DGTEM) turbulence dominates the inner core of H-Mode plasmas during strong electron cyclotron heating (ECH). By adding 3.4 MW ECH doubles T e/T i from 0.5 to 1.0, which halves the linear DGTEM critical density gradient, locally reducing density peaking, while transport in all channels displays extreme stiffness in the density gradient. This then suggests fusion -heating may degrade inner core confinement in H-Mode plasmas with moderate density peaking and low collisionality, with equal electron andmore » ion temperatures, key conditions expected in burning plasmas. Gyrokinetic simulations using GYRO [J. Candy and R. E. Waltz, J. Comp. Phys. 186 545 (2003)] (and GENE [F. Jenko et al., Phys. Plasmas 7, 1904 (2000)]) closely match not only particle, energy, and momentum fluxes, but also density fluctuation spectra from Doppler Backscattering (DBS), with and without ECH. Inner core DBS density fluctuations display discrete frequencies with adjacent toroidal mode numbers, which we identify as DGTEMs. GS2 [W. Dorland et al., Phys. Rev. Lett. 85 5579 (2000)] predictions show the DGTEM can be suppressed, to avoid degradation with electron heating, by broadening the current density profile to attain q 0 > q min > 1.« less

Assembly of multiple cell gradients directed by three-dimensional microfluidic channels.

PubMed

Li, Yiwei; Feng, Xiaojun; Wang, Yachao; Du, Wei; Chen, Peng; Liu, Chao; Liu, Bi-Feng

2015-08-07

Active control over the cell gradient is essential for understanding biological systems and the reconstitution of the functionality of many types of tissues, particularly for organ-on-a-chip. Here, we propose a three-dimensional (3D) microfluidic strategy for generating controllable cell gradients. In this approach, a homogeneous cell suspension is loaded into a 3D stair-shaped PDMS microchannel to generate a cell gradient within 10 min by sedimentation. We demonstrate that cell gradients of various profiles (exponential and piecewise linear) can be achieved by precisely controlling the height of each layer during the fabrication. With sequential seeding, we further demonstrate the generation of two overlapping cell gradients on the same glass substrate with pre-defined designs. The cell gradient-based QD cytotoxicity assay also demonstrated that cell behaviors and resistances were regulated by the changes in cell density. These results reveal that the proposed 3D microfluidic strategy provides a simple and versatile means for establishing controllable gradients in cell density, opening up a new avenue for reconstructing functional tissues.

Automated Processing of Plasma Samples for Lipoprotein Separation by Rate-Zonal Ultracentrifugation.

PubMed

Peters, Carl N; Evans, Iain E J

2016-12-01

Plasma lipoproteins are the primary means of lipid transport among tissues. Defining alterations in lipid metabolism is critical to our understanding of disease processes. However, lipoprotein measurement is limited to specialized centers. Preparation for ultracentrifugation involves the formation of complex density gradients that is both laborious and subject to handling errors. We created a fully automated device capable of forming the required gradient. The design has been made freely available for download by the authors. It is inexpensive relative to commercial density gradient formers, which generally create linear gradients unsuitable for rate-zonal ultracentrifugation. The design can easily be modified to suit user requirements and any potential future improvements. Evaluation of the device showed reliable peristaltic pump accuracy and precision for fluid delivery. We also demonstrate accurate fluid layering with reduced mixing at the gradient layers when compared to usual practice by experienced laboratory personnel. Reduction in layer mixing is of critical importance, as it is crucial for reliable lipoprotein separation. The automated device significantly reduces laboratory staff input and reduces the likelihood of error. Overall, this device creates a simple and effective solution to formation of complex density gradients. © 2015 Society for Laboratory Automation and Screening.

Nonlinear dynamics of electromagnetic turbulence in a nonuniform magnetized plasma

NASA Astrophysics Data System (ADS)

Shukla, P. K.; Mirza, Arshad M.; Faria, R. T.

1998-03-01

By using the hydrodynamic electron response with fixed (kinetic) ions along with Poisson's equation as well as Ampère's law, a system of nonlinear equations for low-frequency (in comparison with the electron gyrofrequency) long-(short-) wavelength electromagnetic waves in a nonuniform resistive magnetoplasma has been derived. The plasma contains equilibrium density gradient and sheared equilibrium plasma flows. In the linear limit, local dispersion relations are obtained and analyzed. It is found that sheared equilibrium flows can cause instability of Alfvén-like electromagnetic waves even in the absence of a density gradient. Furthermore, it is shown that possible stationary solutions of the nonlinear equations without dissipation can be represented in the form of various types of vortices. On the other hand, the temporal behavior of our nonlinear dissipative systems without the equilibrium density inhomogeneity can be described by the generalized Lorenz equations which admit chaotic trajectories. The density inhomogeneity may lead to even qualitative changes in the chaotic dynamics. The results of our investigation should be useful in understanding the linear and nonlinear properties of nonthermal electromagnetic waves in space and laboratory plasmas.

Tracing the Pathway from Drift-Wave Turbulence with Broken Symmetry to the Production of Sheared Axial Mean Flow

NASA Astrophysics Data System (ADS)

Hong, R.; Li, J. C.; Chakraborty Thakur, S.; Hajjar, R.; Diamond, P. H.; Tynan, G. R.

2018-05-01

This study traces the emergence of sheared axial flow from collisional drift-wave turbulence with broken symmetry in a linear plasma device—the controlled shear decorrelation experiment. As the density profile steepens, the axial Reynolds stress develops and drives a radially sheared axial flow that is parallel to the magnetic field. Results show that the nondiffusive piece of the Reynolds stress is driven by the density gradient, results from spectral asymmetry of the turbulence, and, thus, is dynamical in origin. Taken together, these findings constitute the first simultaneous demonstration of the causal link between the density gradient, turbulence, and stress with broken spectral symmetry and the mean axial flow.

Derivation of the threshold condition for the ion temperature gradient mode with an inverted density profile from a simple physics picture

NASA Astrophysics Data System (ADS)

Jhang, Hogun

2018-05-01

We show that the threshold condition for the toroidal ion temperature gradient (ITG) mode with an inverted density profile can be derived from a simple physics argument. The key in this picture is that the density inversion reduces the ion compression due to the ITG mode and the electron drift motion mitigates the poloidal potential build-up. This condition reproduces the same result that has been reported from a linear gyrokinetic calculation [T. S. Hahm and W. M. Tang, Phys. Fluids B 1, 1185 (1989)]. The destabilizing role of trapped electrons in toroidal geometry is easily captured in this picture.

Sheared-flow induced confinement transition in a linear magnetized plasma

NASA Astrophysics Data System (ADS)

Zhou, S.; Heidbrink, W. W.; Boehmer, H.; McWilliams, R.; Carter, T. A.; Vincena, S.; Friedman, B.; Schaffner, D.

2012-01-01

A magnetized plasma cylinder (12 cm in diameter) is induced by an annular shape obstacle at the Large Plasma Device [W. Gekelman, H. Pfister, Z. Lucky, J. Bamber, D. Leneman, and J. Maggs, Rev. Sci. Instrum. 62, 2875 (1991)]. Sheared azimuthal flow is driven at the edge of the plasma cylinder through edge biasing. Strong fluctuations of density and potential (δn /n~eδφ/kTe~0.5) are observed at the plasma edge, accompanied by a large density gradient (Ln=|∇lnn |-1~2cm) and shearing rate (γ ~300kHz). Edge turbulence and cross-field transport are modified by changing the bias voltage (Vbias) on the obstacle and the axial magnetic field (Bz) strength. In cases with low Vbias and large Bz, improved plasma confinement is observed, along with steeper edge density gradients. The radially sheared flow induced by E ×B drift dramatically changes the cross-phase between density and potential fluctuations, which causes the wave-induced particle flux to reverse its direction across the shear layer. In cases with higher bias voltage or smaller Bz, large radial transport and rapid depletion of the central plasma density are observed. Two-dimensional cross-correlation measurement shows that a mode with azimuthal mode number m =1 and large radial correlation length dominates the outward transport in these cases. Linear analysis based on a two-fluid Braginskii model suggests that the fluctuations are driven by both density gradient (drift wave like) and flow shear (Kelvin-Helmholtz like) at the plasma edge.

Gradient-based stochastic estimation of the density matrix

NASA Astrophysics Data System (ADS)

Wang, Zhentao; Chern, Gia-Wei; Batista, Cristian D.; Barros, Kipton

2018-03-01

Fast estimation of the single-particle density matrix is key to many applications in quantum chemistry and condensed matter physics. The best numerical methods leverage the fact that the density matrix elements f(H)ij decay rapidly with distance rij between orbitals. This decay is usually exponential. However, for the special case of metals at zero temperature, algebraic decay of the density matrix appears and poses a significant numerical challenge. We introduce a gradient-based probing method to estimate all local density matrix elements at a computational cost that scales linearly with system size. For zero-temperature metals, the stochastic error scales like S-(d+2)/2d, where d is the dimension and S is a prefactor to the computational cost. The convergence becomes exponential if the system is at finite temperature or is insulating.

Suppressing Electron Turbulence and Triggering Internal Transport Barriers with Reversed Magnetic Shear in the National Spherical Torus Experiment

NASA Astrophysics Data System (ADS)

Peterson, Jayson Luc

2011-10-01

Observations in the National Spherical Torus Experiment (NSTX) have found electron temperature gradients that greatly exceed the linear threshold for the onset for electron temperature gradient-driven (ETG) turbulence. These discharges, deemed electron internal transport barriers (e-ITBs), coincide with a reversal in the shear of the magnetic field and with a reduction in electron-scale density fluctuations, qualitatively consistent with earlier gyrokinetic predictions. To investigate this phenomenon further, we numerically model electron turbulence in NSTX reversed-shear plasmas using the gyrokinetic turbulence code GYRO. These first-of-a-kind nonlinear gyrokinetic simulations of NSTX e-ITBs confirm that reversing the magnetic shear can allow the plasma to reach electron temperature gradients well beyond the critical gradient for the linear onset of instability. This effect is very strong, with the nonlinear threshold for significant transport approaching three times the linear critical gradient in some cases, in contrast with moderate shear cases, which can drive significant ETG turbulence at much lower gradients. In addition to the experimental implications of this upshifted nonlinear critical gradient, we explore the behavior of ETG turbulence during reversed shear discharges. This work is supported by the SciDAC Center for the Study of Plasma Microturbulence, DOE Contract DE-AC02-09CH11466, and used the resources of NCCS at ORNL and NERSC at LBNL. M. Ono et al., Nucl. Fusion 40, 557 (2000).

Ion temperature gradient mode driven solitons and shocks

NASA Astrophysics Data System (ADS)

Zakir, U.; Adnan, Muhammad; Haque, Q.; Qamar, Anisa; Mirza, Arshad M.

2016-04-01

Ion temperature gradient (ITG) driven solitons and shocks are studied in a plasma having gradients in the equilibrium number density and equilibrium ion temperature. In the linear regime, it is found that the ion temperature and the ratio of the gradient scale lengths, ηi=Ln/LT , affect both the real frequency and the growth rate of the ITG driven wave instability. In the nonlinear regime, for the first time we derive a Korteweg de Vries-type equation for the ITG mode, which admits solitary wave solution. It is found that the ITG mode supports only compressive solitons. Further, it is noticed that the soliton amplitude and width are sensitive to the parameter ηi=Ln/LT . Second, in the presence of dissipation in the system, we obtain a Burger type equation, which admits the shock wave solution. This work may be useful to understand the low frequency electrostatic modes in inhomogeneous electron-ion plasma having density and ion temperature gradients. For illustration, the model has been applied to tokamak plasma.

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

NASA Astrophysics Data System (ADS)

Mardirossian, Narbe; Head-Gordon, Martin

2015-02-01

A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 1010 choices carved out of a functional space of almost 1040 possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.

Experimental study of a fine structure of 2D wakes and mixing past an obstacle in a continuously stratified fluid

NASA Astrophysics Data System (ADS)

Chashechkin, Yuli. D.; Mitkin, Vladimir V.

2001-10-01

Experimental investigations of fine and macroscopic structures of density and velocity disturbances generated by a towing cylinder or a vertical strip in a linearly stratified liquid are carried out in a rectangular tank. A density gradient field is visualised by different Schlieren methods (direct shadow, 'slit-knife', 'slit-thread', 'natural rainbow') characterised by a high spatial resolution. Profiles of fluid velocity are visualised by density markers — wakes past a vertically descending sugar crystal or an ascending gas bubble. In a fluid at rest, the density marker acts as a vertical linear source of internal oscillations which allows us to measure buoyancy frequency over all depth by the Schlieren instrument directly or by a conductivity probe in a particular point. Sensitive methods reveal a set of high gradient interfaces inside and outside the downstream wake besides well-known large scale elements: upstream disturbances, attached internal waves and vortices. Solitary interfaces located inside the attached internal waves field have no features on their leading and trailing edges. A thickness of interfaces is defined by an appropriate diffusion coefficient and a buoyancy frequency. High gradient interfaces bound compact vortices. Vortices moving with respect to environment emit their own systems of internal waves randomising a regular pattern of attached antisymmetric internal waves. But after a rather long time a wave recurrence occurs and a regular but symmetric structure of the longest waves (similar to the pattern of initial attached internal waves) is observed again. High gradient interfaces and lines of their intersections act as collectors of a dye coming from a compact source or from a coloured liquid volume inside the tank and separate coloured and clear areas.

Core turbulence behavior moving from ion-temperature-gradient regime towards trapped-electron-mode regime in the ASDEX Upgrade tokamak and comparison with gyrokinetic simulation

NASA Astrophysics Data System (ADS)

Happel, T.; Navarro, A. Bañón; Conway, G. D.; Angioni, C.; Bernert, M.; Dunne, M.; Fable, E.; Geiger, B.; Görler, T.; Jenko, F.; McDermott, R. M.; Ryter, F.; Stroth, U.

2015-03-01

Additional electron cyclotron resonance heating (ECRH) is used in an ion-temperature-gradient instability dominated regime to increase R / L Te in order to approach the trapped-electron-mode instability regime. The radial ECRH deposition location determines to a large degree the effect on R / L Te . Accompanying scale-selective turbulence measurements at perpendicular wavenumbers between k⊥ = 4-18 cm-1 (k⊥ρs = 0.7-4.2) show a pronounced increase of large-scale density fluctuations close to the ECRH radial deposition location at mid-radius, along with a reduction in phase velocity of large-scale density fluctuations. Measurements are compared with results from linear and non-linear flux-matched gyrokinetic (GK) simulations with the gyrokinetic code GENE. Linear GK simulations show a reduction of phase velocity, indicating a pronounced change in the character of the dominant instability. Comparing measurement and non-linear GK simulation, as a central result, agreement is obtained in the shape of radial turbulence level profiles. However, the turbulence intensity is increasing with additional heating in the experiment, while gyrokinetic simulations show a decrease.

A cross-sectional analysis of the relationship between tobacco and alcohol outlet density and neighbourhood deprivation.

PubMed

Shortt, Niamh K; Tisch, Catherine; Pearce, Jamie; Mitchell, Richard; Richardson, Elizabeth A; Hill, Sarah; Collin, Jeff

2015-10-05

There is a strong socio-economic gradient in both tobacco-and alcohol-related harm. One possible factor contributing to this social gradient may be greater availability of tobacco and alcohol in more socially-deprived areas. A higher density of tobacco and alcohol outlets is not only likely to increase supply but also to raise awareness of tobacco/alcohol brands, create a competitive local market that reduces product costs, and influence local social norms relating to tobacco and alcohol consumption. This paper examines the association between the density of alcohol and tobacco outlets and neighbourhood-level income deprivation. Using a national tobacco retailer register and alcohol licensing data this paper calculates the density of alcohol and tobacco retail outlets per 10,000 population for small neighbourhoods across the whole of Scotland. Average outlet density was calculated for neighbourhoods grouped by their level of income deprivation. Associations between outlet density and deprivation were analysed using one way analysis of variance. There was a positive linear relationship between neighbourhood deprivation and outlets for both tobacco (p <0.001) and off-sales alcohol (p <0.001); the most deprived quintile of neighbourhoods had the highest densities of both. In contrast, the least deprived quintile had the lowest density of tobacco and both off-sales and on-sales alcohol outlets. The social gradient evident in alcohol and tobacco supply may be a contributing factor to the social gradient in alcohol- and tobacco-related disease. Policymakers should consider such gradients when creating tobacco and alcohol control policies. The potential contribution to public health, and health inequalities, of reducing the physical availability of both alcohol and tobacco products should be examined in developing broader supply-side interventions.

Non-Linear Interactions between Consumers and Flow Determine the Probability of Plant Community Dominance on Maine Rocky Shores

PubMed Central

Silliman, Brian R.; McCoy, Michael W.; Trussell, Geoffrey C.; Crain, Caitlin M.; Ewanchuk, Patrick J.; Bertness, Mark D.

2013-01-01

Although consumers can strongly influence community recovery from disturbance, few studies have explored the effects of consumer identity and density and how they may vary across abiotic gradients. On rocky shores in Maine, recent experiments suggest that recovery of plant- or animal- dominated community states is governed by rates of water movement and consumer pressure. To further elucidate the mechanisms of consumer control, we examined the species-specific and density-dependent effects of rocky shore consumers (crabs and snails) on community recovery under both high (mussel dominated) and low flow (plant dominated) conditions. By partitioning the direct impacts of predators (crabs) and grazers (snails) on community recovery across a flow gradient, we found that grazers, but not predators, are likely the primary agent of consumer control and that their impact is highly non-linear. Manipulating snail densities revealed that herbivorous and bull-dozing snails (Littorina littorea) alone can control recovery of high and low flow communities. After ∼1.5 years of recovery, snail density explained a significant amount of the variation in macroalgal coverage at low flow sites and also mussel recovery at high flow sites. These density-dependent grazer effects were were both non-linear and flow-dependent, with low abundance thresholds needed to suppress plant community recovery, and much higher levels needed to control mussel bed development. Our study suggests that consumer density and identity are key in regulating both plant and animal community recovery and that physical conditions can determine the functional forms of these consumer effects. PMID:23940510

Numerical Study of Hydrothermal Wave Suppression in Thermocapillary Flow Using a Predictive Control Method

NASA Astrophysics Data System (ADS)

Muldoon, F. H.

2018-04-01

Hydrothermal waves in flows driven by thermocapillary and buoyancy effects are suppressed by applying a predictive control method. Hydrothermal waves arise in the manufacturing of crystals, including the "open boat" crystal growth process, and lead to undesirable impurities in crystals. The open boat process is modeled using the two-dimensional unsteady incompressible Navier-Stokes equations under the Boussinesq approximation and the linear approximation of the surface thermocapillary force. The flow is controlled by a spatially and temporally varying heat flux density through the free surface. The heat flux density is determined by a conjugate gradient optimization algorithm. The gradient of the objective function with respect to the heat flux density is found by solving adjoint equations derived from the Navier-Stokes ones in the Boussinesq approximation. Special attention is given to heat flux density distributions over small free-surface areas and to the maximum admissible heat flux density.

Experimental Study of Internal Waves and Vortices Past 2d Obstacles In A Continuously Stratified Fluid

NASA Astrophysics Data System (ADS)

Mitkin, V.

Experimental investigations of fine and macroscopic structures of density and veloc- ity disturbances generated by a towing cylinder or a vertical strip in a linearly strati- fied liquid are carried out in a rectangular tank. A density gradient field is visualised by different Schlieren methods (direct shadow, 'slit-knife', 'slit-thread', 'natural rain- bow') characterised by a high spatial resolution. Profiles of fluid velocity are visu- alised by density markers U wakes past a vertically descending sugar crystal or an ascending gas bubble. In a fluid at rest the density marker acts as a vertical linear source of internal oscillations, which allows us to measure buoyancy frequency over all depth by the Schlieren instrument directly or by a conductivity probe in a particular point. Sensitive methods reveal a set of high gradient interfaces inside and outside the downstream wake besides well-known large-scale elements: upstream disturbances, attached internal waves and vortices. High gradient interfaces bound compact vor- tices. Vortices moving with respect to environment emit their own systems of internal waves randomising a regular pattern of attached antisymmetric internal waves. But after a rather long time a wave recurrence occurs and a regular but symmetric struc- ture of the longest waves (similar to the pattern of initial attached internal waves) is observed again. Results of studying of the influence of obstacles shape on phase struc- ture and amplitudes of attached internal waves field, vortex formation, their structure and characteristics are presented.

Formation of large-scale structures with sharp density gradient through Rayleigh-Taylor growth in a two-dimensional slab under the two-fluid and finite Larmor radius effects

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

Goto, R.; Hatori, T.; Miura, H., E-mail: miura.hideaki@nifs.ac.jp

Two-fluid and the finite Larmor effects on linear and nonlinear growth of the Rayleigh-Taylor instability in a two-dimensional slab are studied numerically with special attention to high-wave-number dynamics and nonlinear structure formation at a low β-value. The two effects stabilize the unstable high wave number modes for a certain range of the β-value. In nonlinear simulations, the absence of the high wave number modes in the linear stage leads to the formation of the density field structure much larger than that in the single-fluid magnetohydrodynamic simulation, together with a sharp density gradient as well as a large velocity difference. Themore » formation of the sharp velocity difference leads to a subsequent Kelvin-Helmholtz-type instability only when both the two-fluid and finite Larmor radius terms are incorporated, whereas it is not observed otherwise. It is shown that the emergence of the secondary instability can modify the outline of the turbulent structures associated with the primary Rayleigh-Taylor instability.« less

Effect of density gradients in confined supersonic shear layers, part 1

NASA Astrophysics Data System (ADS)

Peroomian, Oshin; Kelly, R. E.

1994-11-01

The effect of density gradients on the supersonic wall modes (acoustic modes) of a 2-D confined compressible shear layer were investigated using linear analysis. Due to the inadequacies of the hyperbolic tangent profile, the boundary layer basic profiles were used. First a test case was taken with the same parameters as in Tam and Hu's analysis with convective Mach number M(sub c) = 1.836 and density ratio of 1.398. Three generalized inflection points were found giving rise to three modes. The first two show similar properties to the Class A and B modes, and the third is an 'inner mode' which will be called a Class C mode. As the density ratio is increased, the smallest of the three neutral phase speeds tends towards the speed of the lower velocity stream, and the other two eventually coalesce and then disappear. These two effects lead to a linear resonance between the Class B modes which increases the cutoff frequency and growth rate of the lowest mode. In fact, growth rates of 2-4 times the test case were found as the density ratio was increased to 7. A similar trend is observed for the Class A modes when the density ratio is decreased from the test case, but the growth rate is not changed by much from the test case.

Instability of a shear layer between multicomponent fluids at supercritical pressure

NASA Astrophysics Data System (ADS)

Fu, Qing-fei; Zhang, Yun-xiao; Mo, Chao-jie; Yang, Li-jun

2018-04-01

The temporal instability of a thin shear layer lying between streams of two components of fluids has been studied. The effects of density profile of the layer on the instability behavior were mainly considered. The detailed density profile was obtained through Linear Gradient Theory. The eigenvalue problem was calculated, and the temporal instability curves were obtained for the thermodynamic parameters, e.g. pressure and temperature. The results show that, increase of pressure leads to the increase of the maximum growth rate. However, increasing pressure has opposite effects on the disturbances with small and large wave length. The increase of temperature causes the decrease of disturbance growth rate. The instability behavior of the shear layers was determined mainly by the interval between the inflections of the velocity and density profiles, and the maximum density gradient. The total effects, determined by coupling density stratification, and interval between the inflections of the velocity and density profiles, were quite distinct for different ranges of temperature and pressure.

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

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

Mardirossian, Narbe; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu; Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720

2015-02-21

A meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional is presented. The functional form is selected from more than 10{sup 10} choices carved out of a functional space of almost 10{sup 40} possibilities. Raw data come from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filtered based onmore » a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.« less

Mapping the genome of meta-generalized gradient approximation density functionals: The search for B97M-V

DOE PAGES

Mardirossian, Narbe; Head-Gordon, Martin

2015-02-20

We present a meta-generalized gradient approximation density functional paired with the VV10 nonlocal correlation functional. The functional form is selected from more than 10 10 choices carved out of a functional space of almost 10 40 possibilities. This raw data comes from training a vast number of candidate functional forms on a comprehensive training set of 1095 data points and testing the resulting fits on a comprehensive primary test set of 1153 data points. Functional forms are ranked based on their ability to reproduce the data in both the training and primary test sets with minimum empiricism, and filteredmore » based on a set of physical constraints and an often-overlooked condition of satisfactory numerical precision with medium-sized integration grids. The resulting optimal functional form has 4 linear exchange parameters, 4 linear same-spin correlation parameters, and 4 linear opposite-spin correlation parameters, for a total of 12 fitted parameters. The final density functional, B97M-V, is further assessed on a secondary test set of 212 data points, applied to several large systems including the coronene dimer and water clusters, tested for the accurate prediction of intramolecular and intermolecular geometries, verified to have a readily attainable basis set limit, and checked for grid sensitivity. Compared to existing density functionals, B97M-V is remarkably accurate for non-bonded interactions and very satisfactory for thermochemical quantities such as atomization energies, but inherits the demonstrable limitations of existing local density functionals for barrier heights.« less

Conservation of wildlife populations: factoring in incremental disturbance.

PubMed

Stewart, Abbie; Komers, Petr E

2017-06-01

Progressive anthropogenic disturbance can alter ecosystem organization potentially causing shifts from one stable state to another. This potential for ecosystem shifts must be considered when establishing targets and objectives for conservation. We ask whether a predator-prey system response to incremental anthropogenic disturbance might shift along a disturbance gradient and, if it does, whether any disturbance thresholds are evident for this system. Development of linear corridors in forested areas increases wolf predation effectiveness, while high density of development provides a safe-haven for their prey. If wolves limit moose population growth, then wolves and moose should respond inversely to land cover disturbance. Using general linear model analysis, we test how the rate of change in moose ( Alces alces ) density and wolf ( Canis lupus ) harvest density are influenced by the rate of change in land cover and proportion of land cover disturbed within a 300,000 km 2 area in the boreal forest of Alberta, Canada. Using logistic regression, we test how the direction of change in moose density is influenced by measures of land cover change. In response to incremental land cover disturbance, moose declines occurred where <43% of land cover was disturbed; in such landscapes, there were high rates of increase in linear disturbance and wolf density increased. By contrast, moose increases occurred where >43% of land cover was disturbed and wolf density declined. Wolves and moose appeared to respond inversely to incremental disturbance with the balance between moose decline and wolf increase shifting at about 43% of land cover disturbed. Conservation decisions require quantification of disturbance rates and their relationships to predator-prey systems because ecosystem responses to anthropogenic disturbance shift across disturbance gradients.

Lattice Boltzmann study on Kelvin-Helmholtz instability: roles of velocity and density gradients.

PubMed

Gan, Yanbiao; Xu, Aiguo; Zhang, Guangcai; Li, Yingjun

2011-05-01

A two-dimensional lattice Boltzmann model with 19 discrete velocities for compressible fluids is proposed. The fifth-order weighted essentially nonoscillatory (5th-WENO) finite difference scheme is employed to calculate the convection term of the lattice Boltzmann equation. The validity of the model is verified by comparing simulation results of the Sod shock tube with its corresponding analytical solutions [G. A. Sod, J. Comput. Phys. 27, 1 (1978).]. The velocity and density gradient effects on the Kelvin-Helmholtz instability (KHI) are investigated using the proposed model. Sharp density contours are obtained in our simulations. It is found that the linear growth rate γ for the KHI decreases by increasing the width of velocity transition layer D(v) but increases by increasing the width of density transition layer D(ρ). After the initial transient period and before the vortex has been well formed, the linear growth rates γ(v) and γ(ρ), vary with D(v) and D(ρ) approximately in the following way, lnγ(v)=a-bD(v) and γ(ρ)=c+elnD(ρ)(D(ρ)D(ρ)(E) the linear growth rate γ(ρ) does not vary significantly any more. One can use the hybrid effects of velocity and density transition layers to stabilize the KHI. Our numerical simulation results are in general agreement with the analytical results [L. F. Wang et al., Phys. Plasma 17, 042103 (2010)]. © 2011 American Physical Society

Optimal read/write memory system components

NASA Technical Reports Server (NTRS)

Kozma, A.; Vander Lugt, A.; Klinger, D.

1972-01-01

Two holographic data storage and display systems, voltage gradient ionization system, and linear strain manipulation system are discussed in terms of creating fast, high bit density, storage device. Components described include: novel mounting fixture for photoplastic arrays; corona discharge device; and block data composer.

Simulation Analysis of Zero Mean Flow Edge Turbulence in LAPD

NASA Astrophysics Data System (ADS)

Friedman, Brett Cory

I model, simulate, and analyze the turbulence in a particular experiment on the Large Plasma Device (LAPD) at UCLA. The experiment, conducted by Schaffner et al. [D. Schaffner et al., Phys. Rev. Lett. 109, 135002 (2012)], nulls out the intrinsic mean flow in LAPD by limiter biasing. The model that I use in the simulation is an electrostatic reduced Braginskii two-fluid model that describes the time evolution of density, electron temperature, electrostatic potential, and parallel electron velocity fluctuations in the edge region of LAPD. The spatial domain is annular, encompassing the radial coordinates over which a significant equilibrium density gradient exists. My model breaks the independent variables in the equations into time-independent equilibrium parts and time-dependent fluctuating parts, and I use experimentally obtained values as input for the equilibrium parts. After an initial exponential growth period due to a linear drift wave instability, the fluctuations saturate and the frequency and azimuthal wavenumber spectra become broadband with no visible coherent peaks, at which point the fluctuations become turbulent. The turbulence develops intermittent pressure and flow filamentary structures that grow and dissipate, but look much different than the unstable linear drift waves, primarily in the extremely long axial wavelengths that the filaments possess. An energy dynamics analysis that I derive reveals the mechanism that drives these structures. The long k|| ˜ 0 intermittent potential filaments convect equilibrium density across the equilibrium density gradient, setting up local density filaments. These density filaments, also with k || ˜ 0, produce azimuthal density gradients, which drive radially propagating secondary drift waves. These finite k|| drift waves nonlinearly couple to one another and reinforce the original convective filament, allowing the process to bootstrap itself. The growth of these structures is by nonlinear instability because they require a finite amplitude to start, and they require nonlinear terms in the equations to sustain their growth. The reason why k|| ˜ 0 structures can grow and support themselves in a dynamical system with no k|| = 0 linear instability is because the linear eigenmodes of the system are nonorthogonal. Nonorthogonal eigenmodes that individually decay under linear dynamics can transiently inject energy into the system, allowing for instability. The instability, however, can only occur when the fluctuations have a finite starting amplitude, and nonlinearities are available to mix energy among eigenmodes. Finally, I attempt to figure out how many effective degrees of freedom control the turbulence to determine whether it is stochastic or deterministic. Using two different methods - permutation entropy analysis by means of time delay trajectory reconstruction and Proper Orthogonal Decomposition - I determine that more than a few degrees of freedom, possibly even dozens or hundreds, are all active. The turbulence, while not stochastic, is not a manifestation of low-dimensional chaos - it is high-dimensional.

Low-memory iterative density fitting.

PubMed

Grajciar, Lukáš

2015-07-30

A new low-memory modification of the density fitting approximation based on a combination of a continuous fast multipole method (CFMM) and a preconditioned conjugate gradient solver is presented. Iterative conjugate gradient solver uses preconditioners formed from blocks of the Coulomb metric matrix that decrease the number of iterations needed for convergence by up to one order of magnitude. The matrix-vector products needed within the iterative algorithm are calculated using CFMM, which evaluates them with the linear scaling memory requirements only. Compared with the standard density fitting implementation, up to 15-fold reduction of the memory requirements is achieved for the most efficient preconditioner at a cost of only 25% increase in computational time. The potential of the method is demonstrated by performing density functional theory calculations for zeolite fragment with 2592 atoms and 121,248 auxiliary basis functions on a single 12-core CPU workstation. © 2015 Wiley Periodicals, Inc.

Solitary plasma rings and magnetic field generation involving gravity and differential rotation

NASA Astrophysics Data System (ADS)

Coppi, B.

2012-12-01

A new theoretical framework for describing how magnetic fields are generated and amplified is provided by finding magneto-gravitational modes that involve gravity, density gradients, and differential rotation in an essential way. Other factors, such as the presence of a high temperature particle population or of a temperature gradient, can contribute to their excitation. These modes identified by a linearized analysis are shown to be important for the evolution of plasma disks surrounding black holes toward different configurations. Since the nonlinear development of these modes can lead to radially localized regions with a relatively small differential rotation, new stationary structures have been identified, in the (fully) nonlinear limit, which are localized radially over regions with negligible gradients of the rotation frequency. These structures, characterized by solitary plasma rings, do not involve a pre-existing "seed" magnetic field, unlike other configurations found previously. The relevant magnetic energy density is comparable to the gravitationally confined plasma pressure. The "source" of these configurations is the combination of the gravitational force and of the plasma density gradient orthogonal to it that is an important factor in the theory of magneto-gravitational modes, another important factor being an anisotropy of the plasma pressure.

Linear study of the precessional fishbone instability

NASA Astrophysics Data System (ADS)

Idouakass, M.; Faganello, M.; Berk, H. L.; Garbet, X.; Benkadda, S.

2016-10-01

The precessional fishbone instability is an m = n = 1 internal kink mode destabilized by a population of trapped energetic particles. The linear phase of this instability is studied here, analytically and numerically, with a simplified model. This model uses the reduced magneto-hydrodynamics equations for the bulk plasma and the Vlasov equation for a population of energetic particles with a radially decreasing density. A threshold condition for the instability is found, as well as a linear growth rate and frequency. It is shown that the mode frequency is given by the precession frequency of the deeply trapped energetic particles at the position of strongest radial gradient. The growth rate is shown to scale with the energetic particle density and particle energy while it is decreased by continuum damping.

Beam-driven acceleration in ultra-dense plasma media

DOE PAGES

Shin, Young-Min

2014-09-15

Accelerating parameters of beam-driven wakefield acceleration in an extremely dense plasma column has been analyzed with the dynamic framed particle-in-cell plasma simulator, and compared with analytic calculations. In the model, a witness beam undergoes a TeV/m scale alternating potential gradient excited by a micro-bunched drive beam in a 10 25 m -3 and 1.6 x 10 28 m -3 plasma column. The acceleration gradient, energy gain, and transformer ratio have been extensively studied in quasi-linear, linear-, and blowout-regimes. The simulation analysis indicated that in the beam-driven acceleration system a hollow plasma channel offers 20 % higher acceleration gradient by enlargingmore » the channel radius (r) from 0.2 Ap to 0.6 .Ap in a blowout regime. This paper suggests a feasibility of TeV/m scale acceleration with a hollow crystalline structure (e.g. nanotubes) of high electron plasma density.« less

Polarization curve measurements combined with potential probe sensing for determining current density distribution in vanadium redox-flow batteries

NASA Astrophysics Data System (ADS)

Becker, Maik; Bredemeyer, Niels; Tenhumberg, Nils; Turek, Thomas

2016-03-01

Potential probes are applied to vanadium redox-flow batteries for determination of effective felt resistance and current density distribution. During the measurement of polarization curves in 100 cm2 cells with different carbon felt compression rates, alternating potential steps at cell voltages between 0.6 V and 2.0 V are applied. Polarization curves are recorded at different flow rates and states of charge of the battery. Increasing compression rates lead to lower effective felt resistances and a more uniform resistance distribution. Low flow rates at high or low state of charge result in non-linear current density distribution with high gradients, while high flow rates give rise to a nearly linear behavior.

Density Functional Theory Calculations of the Dissociation of H[2] on (100) 2H-MoS[2] Surfaces: A Key Step in the Hydroprocessing of Crude Oil

ERIC Educational Resources Information Center

Todorova, Teodora; Alexiev, Valentin; Weber, Thomas

2006-01-01

Hydrogen activation on the (100) surface of MoS[2] structures was investigated by means of density functional theory calculations. Linear and quadratic synchronous transit methods with a conjugate gradient refinement of the saddle point were used to localize transition states. The calculations include heterolytic and homolytic dissociation of…

Gyrokinetic modeling of impurity peaking in JET H-mode plasmas

NASA Astrophysics Data System (ADS)

Manas, P.; Camenen, Y.; Benkadda, S.; Weisen, H.; Angioni, C.; Casson, F. J.; Giroud, C.; Gelfusa, M.; Maslov, M.

2017-06-01

Quantitative comparisons are presented between gyrokinetic simulations and experimental values of the carbon impurity peaking factor in a database of JET H-modes during the carbon wall era. These plasmas feature strong NBI heating and hence high values of toroidal rotation and corresponding gradient. Furthermore, the carbon profiles present particularly interesting shapes for fusion devices, i.e., hollow in the core and peaked near the edge. Dependencies of the experimental carbon peaking factor ( R / L nC ) on plasma parameters are investigated via multilinear regressions. A marked correlation between R / L nC and the normalised toroidal rotation gradient is observed in the core, which suggests an important role of the rotation in establishing hollow carbon profiles. The carbon peaking factor is then computed with the gyrokinetic code GKW, using a quasi-linear approach, supported by a few non-linear simulations. The comparison of the quasi-linear predictions to the experimental values at mid-radius reveals two main regimes. At low normalised collisionality, ν * , and T e / T i < 1 , the gyrokinetic simulations quantitatively recover experimental carbon density profiles, provided that rotodiffusion is taken into account. In contrast, at higher ν * and T e / T i > 1 , the very hollow experimental carbon density profiles are never predicted by the simulations and the carbon density peaking is systematically over estimated. This points to a possible missing ingredient in this regime.

A Theory of Density Layering in Stratified Turbulence using Statistical State Dynamics

NASA Astrophysics Data System (ADS)

Fitzgerald, J.; Farrell, B.

2016-12-01

Stably stratified turbulent fluids commonly develop density structures that are layered in the vertical direction (e.g., Manucharyan et al., 2015). Within layers, density is approximately constant and stratification is weak. Between layers, density varies rapidly and stratification is strong. A common explanation for the existence of layers invokes the negative diffusion mechanism of Phillips (1972) & Posmentier (1977). The physical principle underlying this mechanism is that the flux-gradient relationship connecting the turbulent fluxes of buoyancy to the background stratification must have the special property of weakening fluxes with strengthening gradient. Under these conditions, the evolution of the stratification is governed by a negative diffusion problem which gives rise to spontaneous layer formation. In previous work on stratified layering, this flux-gradient property is often assumed (e.g, Posmentier, 1977) or drawn from phenomenological models of turbulence (e.g., Balmforth et al., 1998).In this work we develop the theoretical underpinnings of layer formation by applying stochastic turbulence modeling and statistical state dynamics (SSD) to predict the flux-gradient relation and analyze layer formation directly from the equations of motion. We show that for stochastically-forced homogeneous 2D Boussinesq turbulence, the flux-gradient relation can be obtained analytically and indicates that the fluxes always strengthen with stratification. The Phillips mechanism thus does not operate in this maximally simplified scenario. However, when the problem is augmented to include a large scale background shear, we show that the flux-gradient relationship is modified so that the fluxes weaken with stratification. Sheared and stratified 2D Boussinesq turbulence thus spontaneously forms density layers through the Phillips mechanism. Using SSD (Farrell & Ioannou 2003), we obtain a closed, deterministic dynamics for the stratification and the statistical turbulent state. We show that density layers form as a linear instability of the sheared turbulence, associated with a supercritical bifurcation. We further show that SSD predicts the nonlinear equilibration and maintenance of the layers, and captures the phenomena of layer growth and mergers (Radko, 2007).

Particle transport in low-collisionality H-mode plasmas on DIII-D

DOE PAGES

Mordijck, Saskia; Wang, Xin; Doyle, Edward J.; ...

2015-10-05

In this article we show that changing from an ion temperature gradient (ITG) to trapped electron mode (TEM) dominant turbulence regime (based on linear gyrokinetic simulations) results experimentally in a strong density pump-out (defined as a reduction in line-averaged density) in low collisionality, low power H-mode plasmas. We vary the turbulence drive by changing the heating from pre-dominantly ion heatedusing neutral beam injection to electron heated using electron cyclotron heating, which changes the T e/T i ratio and the temperature gradients. Perturbed gas puff experiments show an increase in transport outside ρ = 0.6, through a strong increase in themore » perturbed diffusion coefficient and a decrease in the inward pinch. Linear gyrokinetic simulations with TGLF show an increase in the particle flux outside the mid-radius. In conjunction an increase in intermediate-scale length density fluctuations is observed, which indicates an increase in turbulence intensity at typical TEM wavelengths. However, although the experimental changes in particle transport agree with a change from ITG to TEM turbulence regimes, we do not observe a reduction in the core rotation at mid-radius, nor a rotation reversal.« less

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

Vaezi, P.; Holland, C.; Thakur, S. C.

The Controlled Shear Decorrelation Experiment (CSDX) linear plasma device provides a unique platform for investigating the underlying physics of self-regulating drift-wave turbulence/zonal flow dynamics. A minimal model of 3D drift-reduced nonlocal cold ion fluid equations which evolves density, vorticity, and electron temperature fluctuations, with proper sheath boundary conditions, is used to simulate dynamics of the turbulence in CSDX and its response to changes in parallel boundary conditions. These simulations are then carried out using the BOUndary Turbulence (BOUT++) framework and use equilibrium electron density and temperature profiles taken from experimental measurements. The results show that density gradient-driven drift-waves are themore » dominant instability in CSDX. However, the choice of insulating or conducting endplate boundary conditions affects the linear growth rates and energy balance of the system due to the absence or addition of Kelvin-Helmholtz modes generated by the sheath-driven equilibrium E × B shear and sheath-driven temperature gradient instability. Moreover, nonlinear simulation results show that the boundary conditions impact the turbulence structure and zonal flow formation, resulting in less broadband (more quasi-coherent) turbulence and weaker zonal flow in conducting boundary condition case. These results are qualitatively consistent with earlier experimental observations.« less

Procedures and computer program for deriving the Ferguson plot from electrophoresis in a single pore gradient gel: application to agarose gel and a polystyrene particle.

PubMed

Tietz, D; Gombocz, E; Chrambach, A

1991-10-01

This study presents a computerized evaluation of pore gradient gel electrophoretograms to arrive at estimates for both the particle-free mobility and retardation coefficient, which is related to particle size. Agarose pore gradient gels ranging from 0.2 to 1.1% agarose were formed. Gel gradients were stabilized during their formation by a density gradient of 0-20% 5-(N-2,3-dihydroxypropylacetamido)- 2,4,6-triiodo-N,N'bis-(2,3-dihydroxypropyl)-isophthalamide (Nycodenz). Densitometry of gelled-in Bromophenol Blue showed that these pore gradients exhibited a linear central segment and were reproducible. Migration distances of polystyrene sulfate microspheres (36.5 nm radius) in agarose pore gradient gel electrophoresis were determined by time-lapse photography at several durations of electrophoresis. These migration distances were evaluated as a function of migration time as previously reported (D. Tietz, Adv. Electrophoresis 1988, 2, 109-169). Although this is not necessarily required, the mathematical approach used in this study assumed linearity of both the pore gradient and the Ferguson plot for reasons of simplicity. The data evaluation on the basis of the extended Ogston model is incorporated in a user-friendly program, GRADFIT, which is designed for personal computers (Macintosh). The results obtained are compared with (1) conventional electrophoresis using several gels of single concentration with and without Nycodenz, and (ii) a different mathematical approach for the analysis of gradient gels (Rodbard et al., Anal. Biochem. 1971, 40, 135-157). Moreover, a simple procedure for evaluating linear pore gradient gels using linear regression analysis is presented. It is concluded that the values of particle-free mobility and retardation coefficient derived from pore gradient gel electrophoresis using the different mathematical methods are statistically indistinguishable from each other. However, these values are different, albeit close, to those obtained from conventional Ferguson plots. One of the possible reasons for this relatively minor discrepancy is that the particle-free mobility changed slightly during electrophoresis, which has a different effect on electrophoresis in homogeneous gels (single time measurement) and pore gradient gels (multiple time measurements). The characterization of particles according to size and charge by pore gradient electrophoresis provides a significant operational simplification and sample economy compared to that requiring the use of several gel concentrations, although at the price of increased requirements of instrumentation.

Gyrokinetic simulations of particle transport in pellet fuelled JET discharges

NASA Astrophysics Data System (ADS)

Tegnered, D.; Oberparleiter, M.; Nordman, H.; Strand, P.; Garzotti, L.; Lupelli, I.; Roach, C. M.; Romanelli, M.; Valovič, M.; Contributors, JET

2017-10-01

Pellet injection is a likely fuelling method of reactor grade plasmas. When the pellet ablates, it will transiently perturb the density and temperature profiles of the plasma. This will in turn change dimensionless parameters such as a/{L}n,a/{L}T and plasma β. The microstability properties of the plasma then changes which influences the transport of heat and particles. In this paper, gyrokinetic simulations of a JET L-mode pellet fuelled discharge are performed. The ion temperature gradient/trapped electron mode turbulence is compared at the time point when the effect from the pellet is the most pronounced with a hollow density profile and when the profiles have relaxed again. Linear and nonlinear simulations are performed using the gyrokinetic code GENE including electromagnetic effects and collisions in a realistic geometry in local mode. Furthermore, global nonlinear simulations are performed in order to assess any nonlocal effects. It is found that the positive density gradient has a stabilizing effect that is partly counteracted by the increased temperature gradient in the this region. The effective diffusion coefficients are reduced in the positive density region region compared to the intra pellet time point. No major effect on the turbulent transport due to nonlocal effects are observed.

An analysis of the gradient-induced electric fields and current densities in human models when situated in a hybrid MRI-LINAC system

NASA Astrophysics Data System (ADS)

Liu, Limei; Trakic, Adnan; Sanchez-Lopez, Hector; Liu, Feng; Crozier, Stuart

2014-01-01

MRI-LINAC is a new image-guided radiotherapy treatment system that combines magnetic resonance imaging (MRI) with a linear accelerator (LINAC) in a single unit. One drawback is that the pulsing of the split gradient coils of the system induces an electric field and currents in the patient which need to be predicted and evaluated for patient safety. In this novel numerical study the in situ electric fields and associated current densities were evaluated inside tissue-accurate male and female human voxel models when a number of different split-geometry gradient coils were operated. The body models were located in the MRI-LINAC system along the axial and radial directions in three different body positions. Each model had a region of interest (ROI) suitable for image-guided radiotherapy. The simulation results show that the amplitudes and distributions of the field and current density induced by different split x-gradient coils were similar with one another in the ROI of the body model, but varied outside of the region. The fields and current densities induced by a split classic coil with the surface unconnected showed the largest deviation from those given by the conventional non-split coils. Another finding indicated that the distributions of the peak current densities varied when the body position, orientation or gender changed, while the peak electric fields mainly occurred in the skin and fat tissues.

C library for topological study of the electronic charge density.

PubMed

Vega, David; Aray, Yosslen; Rodríguez, Jesús

2012-12-05

The topological study of the electronic charge density is useful to obtain information about the kinds of bonds (ionic or covalent) and the atom charges on a molecule or crystal. For this study, it is necessary to calculate, at every space point, the electronic density and its electronic density derivatives values up to second order. In this work, a grid-based method for these calculations is described. The library, implemented for three dimensions, is based on a multidimensional Lagrange interpolation in a regular grid; by differentiating the resulting polynomial, the gradient vector, the Hessian matrix and the Laplacian formulas were obtained for every space point. More complex functions such as the Newton-Raphson method (to find the critical points, where the gradient is null) and the Cash-Karp Runge-Kutta method (used to make the gradient paths) were programmed. As in some crystals, the unit cell has angles different from 90°, the described library includes linear transformations to correct the gradient and Hessian when the grid is distorted (inclined). Functions were also developed to handle grid containing files (grd from DMol® program, CUBE from Gaussian® program and CHGCAR from VASP® program). Each one of these files contains the data for a molecular or crystal electronic property (such as charge density, spin density, electrostatic potential, and others) in a three-dimensional (3D) grid. The library can be adapted to make the topological study in any regular 3D grid by modifying the code of these functions. Copyright © 2012 Wiley Periodicals, Inc.

Suppression of electron temperature gradient turbulence via negative magnetic shear in NSTX.

PubMed

Yuh, H Y; Kaye, S M; Levinton, F M; Mazzucato, E; Mikkelsen, D R; Smith, D R; Bell, R E; Hosea, J C; LeBlanc, B P; Peterson, J L; Park, H K; Lee, W

2011-02-04

Negative magnetic shear is found to suppress electron turbulence and improve electron thermal transport for plasmas in the National Spherical Torus Experiment (NSTX). Sufficiently negative magnetic shear results in a transition out of a stiff profile regime. Density fluctuation measurements from high-k microwave scattering are verified to be the electron temperature gradient (ETG) mode by matching measured rest frequency and linear growth rate to gyrokinetic calculations. Fluctuation suppression under negligible E×B shear conditions confirm that negative magnetic shear alone is sufficient for ETG suppression. Measured electron temperature gradients can significantly exceed ETG critical gradients with ETG mode activity reduced to intermittent bursts, while electron thermal diffusivity improves to below 0.1 electron gyro-Bohms.

A refined model of sedimentary rock cover in the southeastern part of the Congo basin from GOCE gravity and vertical gravity gradient observations

NASA Astrophysics Data System (ADS)

Martinec, Zdeněk; Fullea, Javier

2015-03-01

We aim to interpret the vertical gravity and vertical gravity gradient of the GOCE-GRACE combined gravity model over the southeastern part of the Congo basin to refine the published model of sedimentary rock cover. We use the GOCO03S gravity model and evaluate its spherical harmonic representation at or near the Earth's surface. In this case, the gradiometry signals are enhanced as compared to the original measured GOCE gradients at satellite height and better emphasize the spatial pattern of sedimentary geology. To avoid aliasing, the omission error of the modelled gravity induced by the sedimentary rocks is adjusted to that of the GOCO03S gravity model. The mass-density Green's functions derived for the a priori structure of the sediments show a slightly greater sensitivity to the GOCO03S vertical gravity gradient than to the vertical gravity. Hence, the refinement of the sedimentary model is carried out for the vertical gravity gradient over the basin, such that a few anomalous values of the GOCO03S-derived vertical gravity gradient are adjusted by refining the model. We apply the 5-parameter Helmert's transformation, defined by 2 translations, 1 rotation and 2 scale parameters that are searched for by the steepest descent method. The refined sedimentary model is only slightly changed with respect to the original map, but it significantly improves the fit of the vertical gravity and vertical gravity gradient over the basin. However, there are still spatial features in the gravity and gradiometric data that remain unfitted by the refined model. These may be due to lateral density variation that is not contained in the model, a density contrast at the Moho discontinuity, lithospheric density stratifications or mantle convection. In a second step, the refined sedimentary model is used to find the vertical density stratification of sedimentary rocks. Although the gravity data can be interpreted by a constant sedimentary density, such a model does not correspond to the gravitational compaction of sedimentary rocks. Therefore, the density model is extended by including a linear increase in density with depth. Subsequent L2 and L∞ norm minimization procedures are applied to find the density parameters by adjusting both the vertical gravity and the vertical gravity gradient. We found that including the vertical gravity gradient in the interpretation of the GOCO03S-derived data reduces the non-uniqueness of the inverse gradiometric problem for density determination. The density structure of the sedimentary formations that provide the optimum predictions of the GOCO03S-derived gravity and vertical gradient of gravity consists of a surface density contrast with respect to surrounding rocks of 0.24-0.28 g/cm3 and its decrease with depth of 0.05-0.25 g/cm3 per 10 km. Moreover, the case where the sedimentary rocks are gravitationally completely compacted in the deepest parts of the basin is supported by L∞ norm minimization. However, this minimization also allows a remaining density contrast at the deepest parts of the sedimentary basin of about 0.1 g/cm3.

The Low-Recycling Lithium Boundary and Implications for Plasma Transport

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

Granstedt, Erik Michael

Pumping of incident hydrogen and impurity ions by lithium enables control of the particle inventory and fueling profile in magnetic-confined plasmas, and may raise the plasma temperature near the wall. As a result, the density gradient is expected to contribute substantially to the free-energy, affecting particle and thermal transport from micro-turbulence which is typically the dominant transport mechanism in high-temperature fusion experiments. Transport in gyrokinetic simulations of density-gradient-dominated profiles is characterized by a small linear critical gradient, large particle flux, and preferential diffusion of cold particles. As a result, the heat flux is below 5/2 or even 3/2 times themore » particle flux, usually assumed to be the minimum for convection. While surprising, this result is consistent with increasing entropy. Coupled TEM-ITG (ion-temperature- gradient) simulations using ηe = ηi find η = ∇T /∇n∼0.8 maximizes the linear critical pressure gradient, which suggests that experiments operating near marginal ITG stability with larger η would increase the linear critical pressure gradient by transferring free-energy from the temperature gradient to the density gradient. Simulations were performed with profiles predicted for the Lithium Tokamak Experiment (LTX) if ion thermal transport was neoclassical, while electron thermal transport and particle transport were a fixed ratio above the neoclassical level. A robust TEM instability was found for the outer half radius, while the ITG was found to be driven unstable as well during gas puff fueling. This suggests that TEM transport will be an important transport mechanism in high-temperature low-recycling fusion experiments, and in the absence of stabilizing mechanisms, may dominate over neoclassical transport. A diagnostic suite has been developed to measure hydrogen and impurity emission in LTX in order to determine the lower bound on recycling that can be achieved in a small tokamak using solid lithium coatings, assess its dependence on the operating condition of the lithium surface, and evaluate its impact on the discharge. Coatings on the close-fitting stainless-steel substrate produce a significant reduction in recyling, so that the effective particle confinement times are as low as 1 ms. Measurements of particle inventory in the plasma and hydrogen Lyman-α emission indicate that hydrogen recycling at the surface increases as subsequent discharges are performed; nevertheless, strong pumping of hydrogen is observed even after almost double the cumulative fueling is applied that should saturate the lithium coating to the penetration depth of hydrogen ions. Probe measurements show that when external fueling is terminated, the scrape-off-layer of discharges with fresh coatings decays to lower density and rises to higher electron temperature than for discharges with a partially-passivated surface, consistent with reduced edge cooling from recycled particles. Near the end of the discharge, higher plasma current correlates with reduced τp* and hydrogen emission, suggesting that discharges with fresh coatings achieve higher electron temperature in the core. A novel approach using neutral modeling was developed for the inverse problem of determining the distribution of recycled particle flux from PFC surfaces given a large number of emission measurements, revealing that extremely low levels of recycling (Rcore∼0.6 and Rplate∼0.8) have been achieved with solid lithium coatings. Together with impurity emission measurements, modeling suggests that during periods of particularly low electron density, influx of impurities from the walls contributes substantially to the global particle balance.« less

Fecundity selection on ornamental plumage colour differs between ages and sexes and varies over small spatial scales.

PubMed

Parker, T H; Wilkin, T A; Barr, I R; Sheldon, B C; Rowe, L; Griffith, S C

2011-07-01

Avian plumage colours are some of the most conspicuous sexual ornaments, and yet standardized selection gradients for plumage colour have rarely been quantified. We examined patterns of fecundity selection on plumage colour in blue tits (Cyanistes caeruleus L.). When not accounting for environmental heterogeneity, we detected relatively few cases of selection. We found significant disruptive selection on adult male crown colour and yearling female chest colour and marginally nonsignificant positive linear selection on adult female crown colour. We discovered no new significant selection gradients with canonical rotation of the matrix of nonlinear selection. Next, using a long-term data set, we identified territory-level environmental variables that predicted fecundity to determine whether these variables influenced patterns of plumage selection. The first of these variables, the density of oaks within 50 m of the nest, influenced selection gradients only for yearling males. The second variable, an inverse function of nesting density, interacted with a subset of plumage selection gradients for yearling males and adult females, although the strength and direction of selection did not vary predictably with population density across these analyses. Overall, fecundity selection on plumage colour in blue tits appeared rare and inconsistent among sexes and age classes. © 2011 The Authors. Journal of Evolutionary Biology © 2011 European Society For Evolutionary Biology.

Quantum mechanical/molecular mechanical/continuum style solvation model: linear response theory, variational treatment, and nuclear gradients.

PubMed

Li, Hui

2009-11-14

Linear response and variational treatment are formulated for Hartree-Fock (HF) and Kohn-Sham density functional theory (DFT) methods and combined discrete-continuum solvation models that incorporate self-consistently induced dipoles and charges. Due to the variational treatment, analytic nuclear gradients can be evaluated efficiently for these discrete and continuum solvation models. The forces and torques on the induced point dipoles and point charges can be evaluated using simple electrostatic formulas as for permanent point dipoles and point charges, in accordance with the electrostatic nature of these methods. Implementation and tests using the effective fragment potential (EFP, a polarizable force field) method and the conductorlike polarizable continuum model (CPCM) show that the nuclear gradients are as accurate as those in the gas phase HF and DFT methods. Using B3LYP/EFP/CPCM and time-dependent-B3LYP/EFP/CPCM methods, acetone S(0)-->S(1) excitation in aqueous solution is studied. The results are close to those from full B3LYP/CPCM calculations.

Effect of magnetic shear on dissipative drift instabilities

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

Guzdar, P.N.; Chen, L.; Kaw, P.K.

1978-03-01

In this letter we report the results of a linear radial eigenmode analysis of dissipative drift waves in a plasma with magnetic shear and spatially varying density gradient. The results of the analysis are shown to be consistent with a recent experiment on the study of dissipative drift instabilities in a toroidal stellarator.

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

NASA Astrophysics Data System (ADS)

Langenbach, K.; Heilig, M.; Horsch, M.; Hasse, H.

2018-03-01

A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO2). The molecular model of CO2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory.

PubMed

Langenbach, K; Heilig, M; Horsch, M; Hasse, H

2018-03-28

A new method for predicting homogeneous bubble nucleation rates of pure compounds from vapor-liquid equilibrium (VLE) data is presented. It combines molecular dynamics simulation on the one side with density gradient theory using an equation of state (EOS) on the other. The new method is applied here to predict bubble nucleation rates in metastable liquid carbon dioxide (CO 2 ). The molecular model of CO 2 is taken from previous work of our group. PC-SAFT is used as an EOS. The consistency between the molecular model and the EOS is achieved by adjusting the PC-SAFT parameters to VLE data obtained from the molecular model. The influence parameter of density gradient theory is fitted to the surface tension of the molecular model. Massively parallel molecular dynamics simulations are performed close to the spinodal to compute bubble nucleation rates. From these simulations, the kinetic prefactor of the hybrid nucleation theory is estimated, whereas the nucleation barrier is calculated from density gradient theory. This enables the extrapolation of molecular simulation data to the whole metastable range including technically relevant densities. The results are tested against available experimental data and found to be in good agreement. The new method does not suffer from typical deficiencies of classical nucleation theory concerning the thermodynamic barrier at the spinodal and the bubble size dependence of surface tension, which is typically neglected in classical nucleation theory. In addition, the density in the center of critical bubbles and their surface tension is determined as a function of their radius. The usual linear Tolman correction to the capillarity approximation is found to be invalid.

Phase-space dependent critical gradient behavior of fast-ion transport due to Alfvén eigenmodes

DOE PAGES

Collins, C. S.; Heidbrink, W. W.; Podestà, M.; ...

2017-06-09

Experiments in the DIII-D tokamak show that many overlapping small-amplitude Alfv en eigenmodes (AEs) cause fast-ion transport to sharply increase above a critical threshold, leading to fast-ion density profile resilience and reduced fusion performance. The threshold is above the AE linear stability limit and varies between diagnostics that are sensitive to different parts of fast-ion phase-space. A comparison with theoretical analysis using the nova and orbit codes shows that, for the neutral particle diagnostic, the threshold corresponds to the onset of stochastic particle orbits due to wave-particle resonances with AEs in the measured region of phase space. We manipulated themore » bulk fast-ion distribution and instability behavior through variations in beam deposition geometry, and no significant differences in the onset threshold outside of measurement uncertainties were found, in agreement with the theoretical stochastic threshold analysis. Simulations using the `kick model' produce beam ion density gradients consistent with the empirically measured radial critical gradient and highlight the importance of including the energy and pitch dependence of the fast-ion distribution function in critical gradient models. The addition of electron cyclotron heating changes the types of AEs present in the experiment, comparatively increasing the measured fast-ion density and radial gradient. Our studies provide the basis for understanding how to avoid AE transport that can undesirably redistribute current and cause fast-ion losses, and the measurements are being used to validate AE-induced transport models that use the critical gradient paradigm, giving greater confidence when applied to ITER.« less

Phase-space dependent critical gradient behavior of fast-ion transport due to Alfvén eigenmodes

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

Collins, C. S.; Heidbrink, W. W.; Podestà, M.

Experiments in the DIII-D tokamak show that many overlapping small-amplitude Alfv en eigenmodes (AEs) cause fast-ion transport to sharply increase above a critical threshold, leading to fast-ion density profile resilience and reduced fusion performance. The threshold is above the AE linear stability limit and varies between diagnostics that are sensitive to different parts of fast-ion phase-space. A comparison with theoretical analysis using the nova and orbit codes shows that, for the neutral particle diagnostic, the threshold corresponds to the onset of stochastic particle orbits due to wave-particle resonances with AEs in the measured region of phase space. We manipulated themore » bulk fast-ion distribution and instability behavior through variations in beam deposition geometry, and no significant differences in the onset threshold outside of measurement uncertainties were found, in agreement with the theoretical stochastic threshold analysis. Simulations using the `kick model' produce beam ion density gradients consistent with the empirically measured radial critical gradient and highlight the importance of including the energy and pitch dependence of the fast-ion distribution function in critical gradient models. The addition of electron cyclotron heating changes the types of AEs present in the experiment, comparatively increasing the measured fast-ion density and radial gradient. Our studies provide the basis for understanding how to avoid AE transport that can undesirably redistribute current and cause fast-ion losses, and the measurements are being used to validate AE-induced transport models that use the critical gradient paradigm, giving greater confidence when applied to ITER.« less

Species richness and trait composition of butterfly assemblages change along an altitudinal gradient.

PubMed

Leingärtner, Annette; Krauss, Jochen; Steffan-Dewenter, Ingolf

2014-06-01

Species richness patterns along altitudinal gradients are well-documented ecological phenomena, yet very little data are available on how environmental filtering processes influence the composition and traits of butterfly assemblages at high altitudes. We have studied the diversity patterns of butterfly species at 34 sites along an altitudinal gradient ranging from 600 to 2,000 m a.s.l. in the National Park Berchtesgaden (Germany) and analysed traits of butterfly assemblages associated with dispersal capacity, reproductive strategies and developmental time from lowlands to highlands, including phylogenetic analyses. We found a linear decline in butterfly species richness along the altitudinal gradient, but the phylogenetic relatedness of the butterfly assemblages did not increase with altitude. Compared to butterfly assemblages at lower altitudes, those at higher altitudes were composed of species with larger wings (on average 9%) which laid an average of 68% more eggs. In contrast, egg maturation time in butterfly assemblages decreased by about 22% along the altitudinal gradient. Further, butterfly assemblages at higher altitudes were increasingly dominated by less widespread species. Based on our abundance data, but not on data in the literature, population density increased with altitude, suggesting a reversed density-distribution relationship, with higher population densities of habitat specialists in harsh environments. In conclusion, our data provide evidence for significant shifts in the composition of butterfly assemblages and for the dominance of different traits along the altitudinal gradient. In our study, these changes were mainly driven by environmental factors, whereas phylogenetic filtering played a minor role along the studied altitudinal range.

Instabilities in a staircase stratified shear flow

NASA Astrophysics Data System (ADS)

Ponetti, G.; Balmforth, N. J.; Eaves, T. S.

2018-01-01

We study stratified shear flow instability where the density profile takes the form of a staircase of interfaces separating uniform layers. Internal gravity waves riding on density interfaces can resonantly interact due to a background shear flow, resulting in the Taylor-Caulfield instability. The many steps of the density profile permit a multitude of interactions between different interfaces, and a rich variety of Taylor-Caulfield instabilities. We analyse the linear instability of a staircase with piecewise-constant density profile embedded in a background linear shear flow, locating all the unstable modes and identifying the strongest. The interaction between nearest-neighbour interfaces leads to the most unstable modes. The nonlinear dynamics of the instabilities are explored in the long-wavelength, weakly stratified limit (the defect approximation). Unstable modes on adjacent interfaces saturate by rolling up the intervening layer into a distinctive billow. These nonlinear structures coexist when stacked vertically and are bordered by the sharp density gradients that are the remnants of the steps of the original staircase. Horizontal averages remain layer-like.

Reduced density gradient as a novel approach for estimating QSAR descriptors, and its application to 1, 4-dihydropyridine derivatives with potential antihypertensive effects.

PubMed

Jardínez, Christiaan; Vela, Alberto; Cruz-Borbolla, Julián; Alvarez-Mendez, Rodrigo J; Alvarado-Rodríguez, José G

2016-12-01

The relationship between the chemical structure and biological activity (log IC 50 ) of 40 derivatives of 1,4-dihydropyridines (DHPs) was studied using density functional theory (DFT) and multiple linear regression analysis methods. With the aim of improving the quantitative structure-activity relationship (QSAR) model, the reduced density gradient s( r) of the optimized equilibrium geometries was used as a descriptor to include weak non-covalent interactions. The QSAR model highlights the correlation between the log IC 50 with highest molecular orbital energy (E HOMO ), molecular volume (V), partition coefficient (log P), non-covalent interactions NCI(H4-G) and the dual descriptor [Δf(r)]. The model yielded values of R 2 =79.57 and Q 2 =69.67 that were validated with the next four internal analytical validations DK=0.076, DQ=-0.006, R P =0.056, and R N =0.000, and the external validation Q 2 boot =64.26. The QSAR model found can be used to estimate biological activity with high reliability in new compounds based on a DHP series. Graphical abstract The good correlation between the log IC 50 with the NCI (H4-G) estimated by the reduced density gradient approach of the DHP derivatives.

Statistical analysis of dislocations and dislocation boundaries from EBSD data.

PubMed

Moussa, C; Bernacki, M; Besnard, R; Bozzolo, N

2017-08-01

Electron BackScatter Diffraction (EBSD) is often used for semi-quantitative analysis of dislocations in metals. In general, disorientation is used to assess Geometrically Necessary Dislocations (GNDs) densities. In the present paper, we demonstrate that the use of disorientation can lead to inaccurate results. For example, using the disorientation leads to different GND density in recrystallized grains which cannot be physically justified. The use of disorientation gradients allows accounting for measurement noise and leads to more accurate results. Misorientation gradient is then used to analyze dislocations boundaries following the same principle applied on TEM data before. In previous papers, dislocations boundaries were defined as Geometrically Necessary Boundaries (GNBs) and Incidental Dislocation Boundaries (IDBs). It has been demonstrated in the past, through transmission electron microscopy data, that the probability density distribution of the disorientation of IDBs and GNBs can be described with a linear combination of two Rayleigh functions. Such function can also describe the probability density of disorientation gradient obtained through EBSD data as reported in this paper. This opens the route for determining IDBs and GNBs probability density distribution functions separately from EBSD data, with an increased statistical relevance as compared to TEM data. The method is applied on deformed Tantalum where grains exhibit dislocation boundaries, as observed using electron channeling contrast imaging. Copyright © 2017 Elsevier B.V. All rights reserved.

Understanding the impact of insulating and conducting endplate boundary conditions on turbulence in CSDX through nonlocal simulations

DOE PAGES

Vaezi, P.; Holland, C.; Thakur, S. C.; ...

2017-04-01

The Controlled Shear Decorrelation Experiment (CSDX) linear plasma device provides a unique platform for investigating the underlying physics of self-regulating drift-wave turbulence/zonal flow dynamics. A minimal model of 3D drift-reduced nonlocal cold ion fluid equations which evolves density, vorticity, and electron temperature fluctuations, with proper sheath boundary conditions, is used to simulate dynamics of the turbulence in CSDX and its response to changes in parallel boundary conditions. These simulations are then carried out using the BOUndary Turbulence (BOUT++) framework and use equilibrium electron density and temperature profiles taken from experimental measurements. The results show that density gradient-driven drift-waves are themore » dominant instability in CSDX. However, the choice of insulating or conducting endplate boundary conditions affects the linear growth rates and energy balance of the system due to the absence or addition of Kelvin-Helmholtz modes generated by the sheath-driven equilibrium E × B shear and sheath-driven temperature gradient instability. Moreover, nonlinear simulation results show that the boundary conditions impact the turbulence structure and zonal flow formation, resulting in less broadband (more quasi-coherent) turbulence and weaker zonal flow in conducting boundary condition case. These results are qualitatively consistent with earlier experimental observations.« less

ωB97X-V: A 10-parameter, range-separated hybrid, generalized gradient approximation density functional with nonlocal correlation, designed by a survival-of-the-fittest strategy

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

Mardirossian, Narbe; Head-Gordon, Martin

2013-12-18

A 10-parameter, range-separated hybrid (RSH), generalized gradient approximation (GGA) density functional with nonlocal correlation (VV10) is presented in this paper. Instead of truncating the B97-type power series inhomogeneity correction factors (ICF) for the exchange, same-spin correlation, and opposite-spin correlation functionals uniformly, all 16 383 combinations of the linear parameters up to fourth order (m = 4) are considered. These functionals are individually fit to a training set and the resulting parameters are validated on a primary test set in order to identify the 3 optimal ICF expansions. Through this procedure, it is discovered that the functional that performs best onmore » the training and primary test sets has 7 linear parameters, with 3 additional nonlinear parameters from range-separation and nonlocal correlation. The resulting density functional, ωB97X-V, is further assessed on a secondary test set, the parallel-displaced coronene dimer, as well as several geometry datasets. Finally and furthermore, the basis set dependence and integration grid sensitivity of ωB97X-V are analyzed and documented in order to facilitate the use of the functional.« less

Density response of the mesospheric sodium layer to gravity wave perturbations

NASA Technical Reports Server (NTRS)

Shelton, J. D.; Gardner, C. S.; Sechrist, C. F., Jr.

1980-01-01

Lidar observations of the mesospheric sodium layer often reveal wavelike features moving through the layer. It is often assumed that these features are a layer density response to gravity waves. Chiu and Ching (1978) described the approximate form of the linear response of atmospheric layers to gravity waves. In this paper, their results are used to predict the response of the sodium layer to gravity waves. These simulations are compared with experimental observations and a good correlation is found between the two. Because of the thickness of the sodium layer and the density gradients found in it, a linear model of the layer response is not always adequate to describe gravity wave-sodium layer interactions. Inclusion of nonlinearities in the layer response is briefly discussed. Experimental data is seen to contain features consistent with the predicted nonlinearities.

Variation in the health and biochemical condition of the coral Acropora tenuis along two water quality gradients on the Great Barrier Reef, Australia.

PubMed

Rocker, Melissa M; Francis, David S; Fabricius, Katharina E; Willis, Bette L; Bay, Line K

2017-06-30

This study explores how plasticity in biochemical attributes, used as indicators of health and condition, enables the coral Acropora tenuis to respond to differing water quality regimes in inshore regions of the Great Barrier Reef. Health attributes were monitored along a strong and weak water quality gradient, each with three reefs at increasing distances from a major river source. Attributes differed significantly only along the strong gradient; corals grew fastest, had the least dense skeletons, highest symbiont densities and highest lipid concentrations closest to the river mouth, where water quality was poorest. High nutrient and particulate loads were only detrimental to skeletal density, which decreased as linear extension increased, highlighting a trade-off. Our study underscores the importance of assessing multiple health attributes in coral reef monitoring. For example, autotrophic indices are poor indicators of coral health and condition, but improve when combined with attributes like lipid content and biomass. Copyright © 2017 Elsevier Ltd. All rights reserved.

SU-G-BRC-15: The Potential Clinical Significance of Dose Mapping Error for Intra- Fraction Dose Mapping for Lung Cancer Patients

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

Sayah, N; Weiss, E; Watkins, W

Purpose: To evaluate the dose-mapping error (DME) inherent to conventional dose-mapping algorithms as a function of dose-matrix resolution. Methods: As DME has been reported to be greatest where dose-gradients overlap tissue-density gradients, non-clinical 66 Gy IMRT plans were generated for 11 lung patients with the target edge defined as the maximum 3D density gradient on the 0% (end of inhale) breathing phase. Post-optimization, Beams were copied to 9 breathing phases. Monte Carlo dose computed (with 2*2*2 mm{sup 3} resolution) on all 10 breathing phases was deformably mapped to phase 0% using the Monte Carlo energy-transfer method with congruent mass-mapping (EMCM);more » an externally implemented tri-linear interpolation method with voxel sub-division; Pinnacle’s internal (tri-linear) method; and a post-processing energy-mass voxel-warping method (dTransform). All methods used the same base displacement-vector-field (or it’s pseudo-inverse as appropriate) for the dose mapping. Mapping was also performed at 4*4*4 mm{sup 3} by merging adjacent dose voxels. Results: Using EMCM as the reference standard, no clinically significant (>1 Gy) DMEs were found for the mean lung dose (MLD), lung V20Gy, or esophagus dose-volume indices, although MLD and V20Gy were statistically different (2*2*2 mm{sup 3}). Pinnacle-to-EMCM target D98% DMEs of 4.4 and 1.2 Gy were observed ( 2*2*2 mm{sup 3}). However dTransform, which like EMCM conserves integral dose, had DME >1 Gy for one case. The root mean square RMS of the DME for the tri-linear-to- EMCM methods was lower for the smaller voxel volume for the tumor 4D-D98%, lung V20Gy, and cord D1%. Conclusion: When tissue gradients overlap with dose gradients, organs-at-risk DME was statistically significant but not clinically significant. Target-D98%-DME was deemed clinically significant for 2/11 patients (2*2*2 mm{sup 3}). Since tri-linear RMS-DME between EMCM and tri-linear was reduced at 2*2*2 mm{sup 3}, use of this resolution is recommended for dose mapping. Interpolative dose methods are sufficiently accurate for the majority of cases. J.V. Siebers receives funding support from Varian Medical Systems.« less

Ab-initio study of electronic structure and elastic properties of ZrC

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

Mund, H. S., E-mail: hmoond@gmail.com; Ahuja, B. L.

2016-05-23

The electronic and elastic properties of ZrC have been investigated using the linear combination of atomic orbitals method within the framework of density functional theory. Different exchange-correlation functionals are taken into account within generalized gradient approximation. We have computed energy bands, density of states, elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, lattice parameters and pressure derivative of the bulk modulus by calculating ground state energy of the rock salt structure type ZrC.

Deriving Sea Surface Salinity and Density Variations from Satellite and Aircraft Microwave Radiometer Measurements: Application to Coastal Plumes Using STARRS

DTIC Science & Technology

2007-11-01

again, with of the prevailing T, S, and, hence, D gradients through the the advent of high-performance spaceborne altimeters (e.g., high- aspect - ratio ... rectangular domains with linear dimensions largely , if not completely, eliminated by the differencing oper- of about 60 km in a 4-h flight. (See...strongest A simple four- quadrant arctangent of the terms in the density in the 00 and 1800 directions, whereas compensation is most ratio would serve our

Electron momentum density and band structure calculations of α- and β-GeTe

NASA Astrophysics Data System (ADS)

Vadkhiya, Laxman; Arora, Gunjan; Rathor, Ashish; Ahuja, B. L.

2011-12-01

We have measured isotropic experimental Compton profile of α-GeTe by employing high energy (662 keV) γ-radiation from a 137Cs isotope. To compare our experiment, we have also computed energy bands, density of states, electron momentum densities and Compton profiles of α- and β-phases of GeTe using the linear combination of atomic orbitals method. The electron momentum density is found to play a major role in understanding the topology of bands in the vicinity of the Fermi level. It is seen that the density functional theory (DFT) with generalised gradient approximation is relatively in better agreement with the experiment than the local density approximation and hybrid Hartree-Fock/DFT.

A spiral, bi-planar gradient coil design for open magnetic resonance imaging.

PubMed

Zhang, Peng; Shi, Yikai; Wang, Wendong; Wang, Yaohui

2018-01-01

To design planar gradient coil for MRI applications without discretization of continuous current density and loop-loop connection errors. In the new design method, the coil current is represented using a spiral curve function described by just a few control parameters. Using a proper parametric equation set, an ensemble of spiral contours is reshaped to satisfy the coil design requirements, such as gradient linearity, inductance and shielding. In the given case study, by using the spiral coil design, the magnetic field errors in the imaging area were reduced from 5.19% (non-spiral design) to 4.47% (spiral design) for the transverse gradient coils, and for the longitudinal gradient coil design, the magnetic field errors were reduced to 5.02% (spiral design). The numerical evaluation shows that when compared with conventional wire loop, the inductance and resistance of spiral coil was reduced by 11.55% and 8.12% for x gradient coil, respectively. A novel spiral gradient coil design for biplanar MRI systems, the new design offers better magnetic field gradients, smooth contours than the conventional connected counterpart, which improves manufacturability.

Global gyrokinetic simulations of intrinsic rotation in ASDEX Upgrade Ohmic L-mode plasmas

NASA Astrophysics Data System (ADS)

Hornsby, W. A.; Angioni, C.; Lu, Z. X.; Fable, E.; Erofeev, I.; McDermott, R.; Medvedeva, A.; Lebschy, A.; Peeters, A. G.; The ASDEX Upgrade Team

2018-05-01

Non-linear, radially global, turbulence simulations of ASDEX Upgrade (AUG) plasmas are performed and the nonlinear generated intrinsic flow shows agreement with the intrinsic flow gradients measured in the core of Ohmic L-mode plasmas at nominal parameters. Simulations utilising the kinetic electron model show hollow intrinsic flow profiles as seen in a predominant number of experiments performed at similar plasma parameters. In addition, significantly larger flow gradients are seen than in a previous flux-tube analysis (Hornsby et al 2017 Nucl. Fusion 57 046008). Adiabatic electron model simulations can show a flow profile with opposing sign in the gradient with respect to a kinetic electron simulation, implying a reversal in the sign of the residual stress due to kinetic electrons. The shaping of the intrinsic flow is strongly determined by the density gradient profile. The sensitivity of the residual stress to variations in density profile curvature is calculated and seen to be significantly stronger than to neoclassical flows (Hornsby et al 2017 Nucl. Fusion 57 046008). This variation is strong enough on its own to explain the large variations in the intrinsic flow gradients seen in some AUG experiments. Analysis of the symmetry breaking properties of the turbulence shows that profile shearing is the dominant mechanism in producing a finite parallel wave-number, with turbulence gradient effects contributing a smaller portion of the parallel wave-vector.

First-principles study of structural, electronic, linear and nonlinear optical properties of Ga{2}PSb ternary chalcopyrite

NASA Astrophysics Data System (ADS)

Ouahrani, T.; Reshak, A. H.; de La Roza, A. Otero; Mebrouki, M.; Luaña, V.; Khenata, R.; Amrani, B.

2009-12-01

We report results from first-principles density functional calculations using the full-potential linear augmented plane wave (FP-LAPW) method. The generalized gradient approximation (GGA) and the Engel-Vosko-generalized gradient approximation (EV-GGA) were used for the exchange-correlation energy of the structural, electronic, linear and nonlinear optical properties of the chalcopyrite Ga2PSb compound. The valence band maximum (VBM) is located at the Γv point, and the conduction band minimum (CBM) is located at the Γc point, resulting in a direct band gap of about 0.365 eV for GGA and 0.83 eV for EV-GGA. In comparison with the experimental one (1.2 eV) we found that EV-GGA calculation gives energy gap in reasonable agreement with the experiment. The spin orbit coupling has marginal influence on the optical properties. The ground state quantities such as lattice parameters (a, c and u), bulk modules B and its pressure derivative B^primeare evaluated.

Analytical and numerical study of the transverse Kelvin-Helmholtz instability in tokamak edge plasmas

DOE PAGES

Myra, James R.; D'Ippolito, Daniel A.; Russell, David A.; ...

2016-04-11

Sheared flows perpendicular to the magnetic field can be driven by the Reynolds stress or ion pressure gradient effects and can potentially influence the stability and turbulent saturation level of edge plasma modes. On the other hand, such flows are subject to the transverse Kelvin- Helmholtz (KH) instability. Here, the linear theory of KH instabilities is first addressed with an analytic model in the asymptotic limit of long wavelengths compared with the flow scale length. The analytic model treats sheared ExB flows, ion diamagnetism (including gyro-viscous terms), density gradients and parallel currents in a slab geometry, enabling a unified summarymore » that encompasses and extends previous results. In particular, while ion diamagnetism, density gradients and parallel currents each individually reduce KH growth rates, the combined effect of density and ion pressure gradients is more complicated and partially counteracting. Secondly, the important role of realistic toroidal geometry is explored numerically using an invariant scaling analysis together with the 2DX eigenvalue code to examine KH modes in both closed and open field line regions. For a typical spherical torus magnetic geometry, it is found that KH modes are more unstable at and just outside the separatrix as a result of the distribution of magnetic shear. Lastly implications for reduced edge turbulence modeling codes are discussed.« less

Directed Self-Assembly of Gradient Concentric Carbon Nanotube Rings

NASA Astrophysics Data System (ADS)

Hong, Suck Won; Jeong, Wonje; Ko, Hyunhyub; Tsukruk, Vladimir; Kessler, Michael; Lin, Zhiqun

2008-03-01

Hundreds of gradient concentric rings of linear conjugated polymer, (poly[2-methoxy-5-(2-ethylhexyloxy)-1,4- phenylenevinylene], i.e., MEH-PPV) with remarkable regularity over large areas were produced by controlled, repetitive ``stick- slip'' motions of the contact line in a confined geometry consisting of a sphere on a flat substrate (i.e., sphere-on-flat geometry). Subsequently, MEH-PPV rings exploited as template to direct the formation of gradient concentric rings of multiwalled carbon nanotubes (MWNTs) with controlled density. This method is simple, cost effective, and robust, combining two consecutive self-assembly processes, namely, evaporation-induced self- assembly of polymers in a sphere-on-flat geometry, followed by subsequent directed self-assembly of MWNTs on the polymer- templated surfaces.

Damage and recovery characteristics of lithium-containing solar cells.

NASA Technical Reports Server (NTRS)

Faith, T. J.

1971-01-01

Damage and recovery characteristics were measured on lithium-containing solar cells irradiated by 1-MeV electrons. Empirical expressions for cell recovery time, diffusion-length damage coefficient immediately after irradiation, and diffusion-length damage coefficient after recovery were derived using results of short-circuit current, diffusion-length, and reverse-bias capacitance measurements. The damage coefficients were expressed in terms of a single lithium density parameter, the lithium gradient. A fluence dependence was also established, this dependence being the same for both the immediate-post-irradiation and post-recovery cases. Cell recovery rates were found to increase linearly with lithium gradient.

Global Solutions to Repulsive Hookean Elastodynamics

NASA Astrophysics Data System (ADS)

Hu, Xianpeng; Masmoudi, Nader

2017-01-01

The global existence of classical solutions to the three dimensional repulsive Hookean elastodynamics around an equilibrium is considered. By linearization and Hodge's decomposition, the compressible part of the velocity, the density, and the compressible part of the transpose of the deformation gradient satisfy Klein-Gordon equations with speed {√{2}}, while the incompressible parts of the velocity and of the transpose of the deformation gradient satisfy wave equations with speed one. The space-time resonance method combined with the vector field method is used in a novel way to obtain the decay of the solution and hence global existence.

Theoretical and lidar studies of the density response of the mesospheric sodium layer to gravity wave perturbations

NASA Technical Reports Server (NTRS)

Shelton, J. D.; Gardner, C. S.

1981-01-01

The density response of atmospheric layers to gravity waves is developed in two forms, an exact solution and a perturbation series solution. The degree of nonlinearity in the layer density response is described by the series solution whereas the exact solution gives insight into the nature of the responses. Density perturbation in an atmospheric layer are shown to be substantially greater than the atmospheric density perturbation associated with the propagation of a gravity wave. Because of the density gradients present in atmospheric layers, interesting effects were observed such as a phase reversal in the linear layer response which occurs near the layer peak. Once the layer response is understood, the sodium layer can be used as a tracer of atmospheric wave motions. A two dimensional digital signal processing technique was developed. Both spatial and temporal filtering are utilized to enhance the resolution by decreasing shot noise by more han 10 dB. Many of the features associated with a layer density response to gravity waves were observed in high resolution density profiles of the mesospheric sodium layer. These include nonlinearities as well as the phase reversal in the linear layer response.

Simple model of surface roughness for binary collision sputtering simulations

NASA Astrophysics Data System (ADS)

Lindsey, Sloan J.; Hobler, Gerhard; Maciążek, Dawid; Postawa, Zbigniew

2017-02-01

It has been shown that surface roughness can strongly influence the sputtering yield - especially at glancing incidence angles where the inclusion of surface roughness leads to an increase in sputtering yields. In this work, we propose a simple one-parameter model (the "density gradient model") which imitates surface roughness effects. In the model, the target's atomic density is assumed to vary linearly between the actual material density and zero. The layer width is the sole model parameter. The model has been implemented in the binary collision simulator IMSIL and has been evaluated against various geometric surface models for 5 keV Ga ions impinging an amorphous Si target. To aid the construction of a realistic rough surface topography, we have performed MD simulations of sequential 5 keV Ga impacts on an initially crystalline Si target. We show that our new model effectively reproduces the sputtering yield, with only minor variations in the energy and angular distributions of sputtered particles. The success of the density gradient model is attributed to a reduction of the reflection coefficient - leading to increased sputtering yields, similar in effect to surface roughness.

Non-linear gyrokinetic simulations of microturbulence in TCV electron internal transport barriers

NASA Astrophysics Data System (ADS)

Lapillonne, X.; Brunner, S.; Sauter, O.; Villard, L.; Fable, E.; Görler, T.; Jenko, F.; Merz, F.

2011-05-01

Using the local (flux-tube) version of the Eulerian code GENE (Jenko et al 2000 Phys. Plasmas 7 1904), gyrokinetic simulations of microturbulence were carried out considering parameters relevant to electron-internal transport barriers (e-ITBs) in the TCV tokamak (Sauter et al 2005 Phys. Rev. Lett. 94 105002), generated under conditions of low or negative shear. For typical density and temperature gradients measured in such barriers, the corresponding simulated fluctuation spectra appears to simultaneously contain longer wavelength trapped electron modes (TEMs, for typically k⊥ρi < 0.5, k⊥ being the characteristic perpendicular wavenumber and ρi the ion Larmor radius) and shorter wavelength ion temperature gradient modes (ITG, k⊥ρi > 0.5). The contributions to the electron particle flux from these two types of modes are, respectively, outward/inward and may cancel each other for experimentally realistic gradients. This mechanism may partly explain the feasibility of e-ITBs. The non-linear simulation results confirm the predictions of a previously developed quasi-linear model (Fable et al 2010 Plasma Phys. Control. Fusion 52 015007), namely that the stationary condition of zero particle flux is obtained through the competitive contributions of ITG and TEM. A quantitative comparison of the electron heat flux with experimental estimates is presented as well.

Linear analysis of the Richtmyer-Meshkov instability in shock-flame interactions

NASA Astrophysics Data System (ADS)

Massa, L.; Jha, P.

2012-05-01

Shock-flame interactions enhance supersonic mixing and detonation formation. Therefore, their analysis is important to explosion safety, internal combustion engine performance, and supersonic combustor design. The fundamental process at the basis of the interaction is the Richtmyer-Meshkov instability supported by the density difference between burnt and fresh mixtures. In the present study we analyze the effect of reactivity on the Richtmyer-Meshkov instability with particular emphasis on combustion lengths that typify the scaling between perturbation growth and induction. The results of the present linear analysis study show that reactivity changes the perturbation growth rate by developing a pressure gradient at the flame surface. The baroclinic torque based on the density gradient across the flame acts to slow down the instability growth of high wave-number perturbations. A gasdynamic flame representation leads to the definition of a Peclet number representing the scaling between perturbation and thermal diffusion lengths within the flame. Peclet number effects on perturbation growth are observed to be marginal. The gasdynamic model also considers a finite flame Mach number that supports a separation between flame and contact discontinuity. Such a separation destabilizes the interface growth by augmenting the tangential shear.

Combined solvent- and non-uniform temperature-programmed gradient liquid chromatography. I - A theoretical investigation.

PubMed

Gritti, Fabrice

2016-11-18

An new class of gradient liquid chromatography (GLC) is proposed and its performance is analyzed from a theoretical viewpoint. During the course of such gradients, both the solvent strength and the column temperature are simultaneously changed in time and space. The solvent and temperature gradients propagate along the chromatographic column at their own and independent linear velocity. This class of gradient is called combined solvent- and temperature-programmed gradient liquid chromatography (CST-GLC). The general expressions of the retention time, retention factor, and of the temporal peak width of the analytes at elution in CST-GLC are derived for linear solvent strength (LSS) retention models, modified van't Hoff retention behavior, linear and non-distorted solvent gradients, and for linear temperature gradients. In these conditions, the theory predicts that CST-GLC is equivalent to a unique and apparent dynamic solvent gradient. The apparent solvent gradient steepness is the sum of the solvent and temperature steepness. The apparent solvent linear velocity is the reciprocal of the steepness-averaged sum of the reciprocal of the actual solvent and temperature linear velocities. The advantage of CST-GLC over conventional GLC is demonstrated for the resolution of protein digests (peptide mapping) when applying smooth, retained, and linear acetonitrile gradients in combination with a linear temperature gradient (from 20°C to 90°C) using 300μm×150mm capillary columns packed with sub-2 μm particles. The benefit of CST-GLC is demonstrated when the temperature gradient propagates at the same velocity as the chromatographic speed. The experimental proof-of-concept for the realization of temperature ramps propagating at a finite and constant linear velocity is also briefly described. Copyright © 2016 Elsevier B.V. All rights reserved.

Probing plasma wakefields using electron bunches generated from a laser wakefield accelerator

NASA Astrophysics Data System (ADS)

Zhang, C. J.; Wan, Y.; Guo, B.; Hua, J. F.; Pai, C.-H.; Li, F.; Zhang, J.; Ma, Y.; Wu, Y. P.; Xu, X. L.; Mori, W. B.; Chu, H.-H.; Wang, J.; Lu, W.; Joshi, C.

2018-04-01

We show experimental results of probing the electric field structure of plasma wakes by using femtosecond relativistic electron bunches generated from a laser wakefield accelerator. Snapshots of laser-driven linear wakes in plasmas with different densities and density gradients are captured. The spatiotemporal evolution of the wake in a plasma density up-ramp is recorded. Two parallel wakes driven by a laser with a main spot and sidelobes are identified in the experiment and reproduced in simulations. The capability of this new method for capturing the electron- and positron-driven wakes is also shown via 3D particle-in-cell simulations.

Generation of parasitic axial flow by drift wave turbulence with broken symmetry: Theory and experiment

NASA Astrophysics Data System (ADS)

Hong, R.; Li, J. C.; Hajjar, R.; Chakraborty Thakur, S.; Diamond, P. H.; Tynan, G. R.

2018-05-01

Detailed measurements of intrinsic axial flow generation parallel to the magnetic field in the controlled shear decorrelation experiment linear plasma device with no axial momentum input are presented and compared to theory. The results show a causal link from the density gradient to drift-wave turbulence with broken spectral symmetry and development of the axial mean parallel flow. As the density gradient steepens, the axial and azimuthal Reynolds stresses increase and radially sheared azimuthal and axial mean flows develop. A turbulent axial momentum balance analysis shows that the axial Reynolds stress drives the radially sheared axial mean flow. The turbulent drive (Reynolds power) for the azimuthal flow is an order of magnitude greater than that for axial flow, suggesting that the turbulence fluctuation levels are set by azimuthal flow shear regulation. The direct energy exchange between axial and azimuthal mean flows is shown to be insignificant. Therefore, the axial flow is parasitic to the turbulence-zonal flow system and is driven primarily by the axial turbulent stress generated by that system. The non-diffusive, residual part of the axial Reynolds stress is found to be proportional to the density gradient and is formed due to dynamical asymmetry in the drift-wave turbulence.

Stability, intermittency and universal Thorpe length distribution in a laboratory turbulent stratified shear flow

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

Odier, Philippe; Ecke, Robert E.

Stratified shear flows occur in many geophysical contexts, from oceanic overflows and river estuaries to wind-driven thermocline layers. In this study, we explore a turbulent wall-bounded shear flow of lighter miscible fluid into a quiescent fluid of higher density with a range of Richardson numbersmore » $$0.05\\lesssim Ri\\lesssim 1$$. In order to find a stability parameter that allows close comparison with linear theory and with idealized experiments and numerics, we investigate different definitions of$Ri$$. We find that a gradient Richardson number defined on fluid interface sections where there is no overturning at or adjacent to the maximum density gradient position provides an excellent stability parameter, which captures the Miles–Howard linear stability criterion. For small $$Ri$$ the flow exhibits robust Kelvin–Helmholtz instability, whereas for larger $$Ri$$ interfacial overturning is more intermittent with less frequent Kelvin–Helmholtz events and emerging Holmboe wave instability consistent with a thicker velocity layer compared with the density layer. We compute the perturbed fraction of interface as a quantitative measure of the flow intermittency, which is approximately 1 for the smallest $$Ri$$ but decreases rapidly as $$Ri$ increases, consistent with linear theory. For the perturbed regions, we use the Thorpe scale to characterize the overturning properties of these flows. The probability distribution of the non-zero Thorpe length yields a universal exponential form, suggesting that much of the overturning results from increasingly intermittent Kelvin–Helmholtz instability events. Finally, the distribution of turbulent kinetic energy, conditioned on the intermittency fraction, has a similar form, suggesting an explanation for the universal scaling collapse of the Thorpe length distribution.« less

Stability, intermittency and universal Thorpe length distribution in a laboratory turbulent stratified shear flow

DOE PAGES

Odier, Philippe; Ecke, Robert E.

2017-02-21

Stratified shear flows occur in many geophysical contexts, from oceanic overflows and river estuaries to wind-driven thermocline layers. In this study, we explore a turbulent wall-bounded shear flow of lighter miscible fluid into a quiescent fluid of higher density with a range of Richardson numbersmore » $$0.05\\lesssim Ri\\lesssim 1$$. In order to find a stability parameter that allows close comparison with linear theory and with idealized experiments and numerics, we investigate different definitions of$Ri$$. We find that a gradient Richardson number defined on fluid interface sections where there is no overturning at or adjacent to the maximum density gradient position provides an excellent stability parameter, which captures the Miles–Howard linear stability criterion. For small $$Ri$$ the flow exhibits robust Kelvin–Helmholtz instability, whereas for larger $$Ri$$ interfacial overturning is more intermittent with less frequent Kelvin–Helmholtz events and emerging Holmboe wave instability consistent with a thicker velocity layer compared with the density layer. We compute the perturbed fraction of interface as a quantitative measure of the flow intermittency, which is approximately 1 for the smallest $$Ri$$ but decreases rapidly as $$Ri$ increases, consistent with linear theory. For the perturbed regions, we use the Thorpe scale to characterize the overturning properties of these flows. The probability distribution of the non-zero Thorpe length yields a universal exponential form, suggesting that much of the overturning results from increasingly intermittent Kelvin–Helmholtz instability events. Finally, the distribution of turbulent kinetic energy, conditioned on the intermittency fraction, has a similar form, suggesting an explanation for the universal scaling collapse of the Thorpe length distribution.« less

Density of states, optical and thermoelectric properties of perovskite vanadium fluorides Na3VF6

NASA Astrophysics Data System (ADS)

Reshak, A. H.; Azam, Sikander

2014-05-01

The electronic structure, charge density and Fermi surface of Na3VF6 compound have been examined with the support of density functional theory (DFT). Using the full potential linear augmented plane wave method, we employed the local density approximation (LDA), generalized gradient approximation (GGA) and Engel-Vosko GGA (EVGGA) to treat the exchange correlation potential to solve Kohn-Sham equations. The calculation show that Na3VF6 compound has metallic nature and the Fermi energy (EF) is assessed by overlapping of V-d state. The calculated density of states at the EF are about 18.655, 51.932 and 13.235 states/eV, and the bare linear low-temperature electronic specific heat coefficient (γ) is found to be 3.236 mJ/mol-K2, 9.008 mJ/mol-K2 and 2.295 mJ/mol-K2 for LDA, GGA and EVGGA, respectively. The Fermi surface is composed of two sheets. The chemical bonding of Na3VF6 compound is analyzed through the electronic charge density in the (1 1 0) crystallographic plane. The optical constants and thermal properties were also calculated and discussed.

Interactions between Canopy Structure and Herbaceous Biomass along Environmental Gradients in Moist Forest and Dry Miombo Woodland of Tanzania.

PubMed

Shirima, Deo D; Pfeifer, Marion; Platts, Philip J; Totland, Ørjan; Moe, Stein R

2015-01-01

We have limited understanding of how tropical canopy foliage varies along environmental gradients, and how this may in turn affect forest processes and functions. Here, we analyse the relationships between canopy leaf area index (LAI) and above ground herbaceous biomass (AGBH) along environmental gradients in a moist forest and miombo woodland in Tanzania. We recorded canopy structure and herbaceous biomass in 100 permanent vegetation plots (20 m × 40 m), stratified by elevation. We quantified tree species richness, evenness, Shannon diversity and predominant height as measures of structural variability, and disturbance (tree stumps), soil nutrients and elevation as indicators of environmental variability. Moist forest and miombo woodland differed substantially with respect to nearly all variables tested. Both structural and environmental variables were found to affect LAI and AGBH, the latter being additionally dependent on LAI in moist forest but not in miombo, where other factors are limiting. Combining structural and environmental predictors yielded the most powerful models. In moist forest, they explained 76% and 25% of deviance in LAI and AGBH, respectively. In miombo woodland, they explained 82% and 45% of deviance in LAI and AGBH. In moist forest, LAI increased non-linearly with predominant height and linearly with tree richness, and decreased with soil nitrogen except under high disturbance. Miombo woodland LAI increased linearly with stem density, soil phosphorous and nitrogen, and decreased linearly with tree species evenness. AGBH in moist forest decreased with LAI at lower elevations whilst increasing slightly at higher elevations. AGBH in miombo woodland increased linearly with soil nitrogen and soil pH. Overall, moist forest plots had denser canopies and lower AGBH compared with miombo plots. Further field studies are encouraged, to disentangle the direct influence of LAI on AGBH from complex interrelationships between stand structure, environmental gradients and disturbance in African forests and woodlands.

Linear gyrokinetic simulations of microinstabilities within the pedestal region of H-mode NSTX discharges in a highly shaped geometry

DOE PAGES

Coury, M.; Guttenfelder, W.; Mikkelsen, D. R.; ...

2016-06-30

Linear (local) gyrokinetic predictions of edge microinstabilities in highly shaped, lithiated and non-lithiated NSTX discharges are reported using the gyrokinetic code GS2. Microtearing modes dominate the non-lithiated pedestal top. The stabilization of these modes at the lithiated pedestal top enables the electron temperature pedestal to extend further inwards, as observed experimentally. Kinetic ballooning modes are found to be unstable mainly at the mid-pedestal of both types of discharges, with un- stable trapped electron modes nearer the separatrix region. At electron wavelengths, ETG modes are found to be unstable from mid-pedestal outwards for η e, exp ~2.2 with higher growth ratesmore » for the lithiated discharge. Near the separatrix, the critical temperature gradient for driving ETG modes is reduced in the presence of lithium, re ecting the reduction of the lithiated density gradients observed experimentally. A preliminary linear study in the edge of non-lithiated discharges shows that the equilibrium shaping alters the electrostatic modes stability, found more unstable at high plasma shaping.« less

Plasma Irregularity Production in the Polar Cap F-Region Ionosphere

NASA Astrophysics Data System (ADS)

Lamarche, Leslie

Plasma in the Earth's ionosphere is highly irregular on scales ranging between a few centimeters and hundreds of kilometers. Small-scale irregularities or plasma waves can scatter radio waves resulting in a loss of signal for navigation and communication networks. The polar region is particularly susceptible to strong disturbances due to its direct connection with the Sun's magnetic field and energetic particles. In this thesis, factors that contribute to the production of decameter-scale plasma irregularities in the polar F region ionosphere are investigated. Both global and local control of irregularity production are studied, i.e. we consider global solar control through solar illumination and solar wind as well as much more local control by plasma density gradients and convection electric field. In the first experimental study, solar control of irregularity production is investigated using the Super Dual Auroral Radar Network (SuperDARN) radar at McMurdo, Antarctica. The occurrence trends for irregularities are analyzed statistically and a model is developed that describes the location of radar echoes within the radar's field-of-view. The trends are explained through variations in background plasma density with solar illumination affecting radar beam propagation. However, it is found that the irregularity occurrence during the night is higher than expected from ray tracing simulations based on a standard ionospheric density model. The high occurrence at night implies an additional source of plasma density and it is proposed that large-scale density enhancements called polar patches may be the source of this density. Additionally, occurrence maximizes around the terminator due to different competing irregularity production processes that favor a more or less sunlit ionosphere. The second study is concerned with modeling irregularity characteristics near a large-scale density gradient reversal, such as those expected near polar patches, with a particular focus on the asymmetry of the irregularity growth rate across the gradient reversal. Directional dependencies on the plasma density gradient, plasma drift, and wavevector are analyzed in the context of the recently developed general fluid theory of the gradient-drift instability. In the ionospheric F region, the strongest asymmetry is found when an elongated structure is oriented along the radar's boresight and moving perpendicular to its direction of elongation. These results have important implications for finding optimal configurations for oblique-scanning ionospheric radars such as SuperDARN to observe gradient reversals. To test the predictions of the developed model and the general theory of the gradient-drift instability, an experimental investigation is presented focusing on decameter-scale irregularities near a polar patch and the previously uninvestigated directional dependence of irregularity characteristics. Backscatter power and occurrence of irregularities are analyzed using measurements from the SuperDARN radar at Rankin Inlet, Canada, while background density gradients and convection electric fields are found from the north face of the Resolute Bay Incoherent Scatter Radar. It is shown that irregularity occurrence tends to follow the expected trends better than irregularity power, suggesting that while the gradient-drift instability may be a dominant process in generating small-scale irregularities, other mechanisms such as a shear-driven instability or nonlinear process may exert greater control over their intensity. It is concluded from this body of work that the production of small-scale plasma irregularities in the polar F-region ionosphere is controlled both by global factors such as solar illumination as well as local plasma density gradients and electric fields. In general, linear gradient-drift instability theory describes small-scale irregularity production well, particularly for low-amplitude perturbations. The production of irregularities is complex, and while ground-based radars are invaluable tools to study the ionosphere, care must be taken to interpret results correctly.

Double Diffusive Convection in Materials Processing

NASA Technical Reports Server (NTRS)

Ramachandra, Narayanan; Leslie, Fred W.

1999-01-01

A great number of crystals grown in space are plagued by convective motions which contribute to structural flaws. The character of these instabilities is not well understood but is associated with density variations in the presence of residual gravity (g-jitter). As a specific example, past HgCdTe crystal growth space experiments by Lehoczky and co-workers indicate radial compositional asymmetry in the grown crystals. In the case of HgCdTe the rejected component into the melt upon solidification is HgTe which is denser than the melt. The space grown crystals indicate the presence of three dimensional flow with the heavier HgTe-rich material clearly aligned with the residual gravity (0.55-1.55 micro g) vector. This flow stems from double-diffusive convection, namely, thermal and solutal buoyancy driven flow in the melt. The study of double-diffusive convection is multi-faceted and rather vast. In our investigation, we seek to focus on one specific aspect of this discipline that is of direct relevance to materials processing especially crystal growth, namely, the side ways heating regime. This problem has been widely studied, both experimentally and numerically, in the context of solar ponds wherein the system is characterized by a linear salt (solutal) gradient with an imposed lateral temperature gradient. The induced flow instabilities arise from the wide disparity between the fluid thermal diffusivity and the solute diffusivity. The extension of the analysis to practical crystal growth applications has however not been rigorously made and understood. One subtle but important difference in crystal growth systems is the fact that die system solute gradient is non-linear (typically exponential). Besides, the crystal growth problem has the added complexities of solidification, both lateral and longitudinal thermal gradients and segregation phenomena in systems where binary and ternary compounds are being grown. This paper treats the side ways heating problem alone in a model fluid system. Results from detailed numerical calculations, mainly two dimensional are provided. The interactions between a non-linear solute gradient and an imposed transverse thermal gradient are investigated. The buoyancy effects are treated in the traditional Boussinesq approximation and also in a more complete density formulation to address recent concerns of the first approach especially in simulations of the system response in a reduced gravity environment. Detailed flow, temperature and solute field plots along with heat and mass transfer results are presented in the paper. Implications to practical crystal growth systems as discerned from the modeling results are also explored and reported.

Density and magnetic fluctuations in type III-ELM pedestal evolution in JET: experimental and numerical characterization

NASA Astrophysics Data System (ADS)

De Masi, G.; Predebon, I.; Spagnolo, S.; Meneses, L.; Delabie, E.; Lupelli, I.; Hillesheim, J. C.; Maggi, C.; Contributors, JET

2018-04-01

Density and magnetic fluctuation measurements in low-β type-III ELM discharges are obtained in the Joint European Torus (JET). They are observed during the inter-ELM pedestal evolution, after the LH transition phase, at about 60-70 kHz. Density fluctuations are measured with a correlation reflectometer system installed on the low-field side and they are localized at the pedestal top. Magnetic fluctuations with a spatial scale k_yρ_i˜ 0.1 are measured through a high resolution coil array. The main features and the relations with local plasma parameters are presented. The nature of these fluctuations is discussed along with linear gyrokinetic simulations. Ion temperature gradient (ITG) modes are the dominant instabilities in the frequency range of interest. In terms of radial localization, typical oscillation frequency and qualitative relation with the possible linear drive, ITG modes are consistent with the experimental density fluctuations measurements. Micro-tearing modes (MTMs), found unstable with a lower growth rate, appear a possible explanation for magnetic fluctuations in terms of typical wavenumbers and direction of propagation.

Comprehensive numerical methodology for direct numerical simulations of compressible Rayleigh-Taylor instability

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

Reckinger, Scott James; Livescu, Daniel; Vasilyev, Oleg V.

A comprehensive numerical methodology has been developed that handles the challenges introduced by considering the compressive nature of Rayleigh-Taylor instability (RTI) systems, which include sharp interfacial density gradients on strongly stratified background states, acoustic wave generation and removal at computational boundaries, and stratification-dependent vorticity production. The computational framework is used to simulate two-dimensional single-mode RTI to extreme late-times for a wide range of flow compressibility and variable density effects. The results show that flow compressibility acts to reduce the growth of RTI for low Atwood numbers, as predicted from linear stability analysis.

An efficient formulation and implementation of the analytic energy gradient method to the single and double excitation coupled-cluster wave function - Application to Cl2O2

NASA Technical Reports Server (NTRS)

Rendell, Alistair P.; Lee, Timothy J.

1991-01-01

The analytic energy gradient for the single and double excitation coupled-cluster (CCSD) wave function has been reformulated and implemented in a new set of programs. The reformulated set of gradient equations have a smaller computational cost than any previously published. The iterative solution of the linear equations and the construction of the effective density matrices are fully vectorized, being based on matrix multiplications. The new method has been used to investigate the Cl2O2 molecule, which has recently been postulated as an important intermediate in the destruction of ozone in the stratosphere. In addition to reporting computational timings, the CCSD equilibrium geometries, harmonic vibrational frequencies, infrared intensities, and relative energetics of three isomers of Cl2O2 are presented.

Modified Fourth-Order Kinetic Energy Gradient Expansion with Hartree Potential-Dependent Coefficients.

PubMed

Constantin, Lucian A; Fabiano, Eduardo; Della Sala, Fabio

2017-09-12

Using the semiclassical neutral atom theory, we developed a modified fourth-order kinetic energy (KE) gradient expansion (GE4m) that keeps unchanged all the linear-response terms of the uniform electron gas and gives a significant improvement with respect to the known semilocal functionals for both large atoms and jellium surfaces. On the other hand, GE4m is not accurate for light atoms; thus, we modified the GE4m coefficients making them dependent on a novel ingredient, the reduced Hartree potential, recently introduced in the Journal of Chemical Physics 2016, 145, 084110, in the context of exchange functionals. The resulting KE gradient expansion functional, named uGE4m, belongs to the novel class of u-meta-generalized-gradient-approximations (uMGGA) whose members depend on the conventional ingredients (i.e., the reduced gradient and Laplacian of the density) as well as on the reduced Hartree potential. To test uGE4m, we defined an appropriate benchmark (including total KE and KE differences for atoms, molecules and jellium clusters) for gradient expansion functionals, that is, including only those systems which are mainly described by a slowly varying density regime. While most of the GGA and meta-GGA KE functionals (we tested 18 of them) are accurate for some properties and inaccurate for others, uGE4m shows a consistently good performance for all the properties considered. This represents a qualitative boost in the KE functional development and highlights the importance of the reduced Hartree potential for the construction of next-generation KE functionals.

The adaptation rate of a quantitative trait in an environmental gradient

NASA Astrophysics Data System (ADS)

Hermsen, R.

2016-12-01

The spatial range of a species habitat is generally determined by the ability of the species to cope with biotic and abiotic variables that vary in space. Therefore, the species range is itself an evolvable property. Indeed, environmental gradients permit a mode of evolution in which range expansion and adaptation go hand in hand. This process can contribute to rapid evolution of drug resistant bacteria and viruses, because drug concentrations in humans and livestock treated with antibiotics are far from uniform. Here, we use a minimal stochastic model of discrete, interacting organisms evolving in continuous space to study how the rate of adaptation of a quantitative trait depends on the steepness of the gradient and various population parameters. We discuss analytical results for the mean-field limit as well as extensive stochastic simulations. These simulations were performed using an exact, event-driven simulation scheme that can deal with continuous time-, density- and coordinate-dependent reaction rates and could be used for a wide variety of stochastic systems. The results reveal two qualitative regimes. If the gradient is shallow, the rate of adaptation is limited by dispersion and increases linearly with the gradient slope. If the gradient is steep, the adaptation rate is limited by mutation. In this regime, the mean-field result is highly misleading: it predicts that the adaptation rate continues to increase with the gradient slope, whereas stochastic simulations show that it in fact decreases with the square root of the slope. This discrepancy underscores the importance of discreteness and stochasticity even at high population densities; mean-field results, including those routinely used in quantitative genetics, should be interpreted with care.

The adaptation rate of a quantitative trait in an environmental gradient.

PubMed

Hermsen, R

2016-11-30

The spatial range of a species habitat is generally determined by the ability of the species to cope with biotic and abiotic variables that vary in space. Therefore, the species range is itself an evolvable property. Indeed, environmental gradients permit a mode of evolution in which range expansion and adaptation go hand in hand. This process can contribute to rapid evolution of drug resistant bacteria and viruses, because drug concentrations in humans and livestock treated with antibiotics are far from uniform. Here, we use a minimal stochastic model of discrete, interacting organisms evolving in continuous space to study how the rate of adaptation of a quantitative trait depends on the steepness of the gradient and various population parameters. We discuss analytical results for the mean-field limit as well as extensive stochastic simulations. These simulations were performed using an exact, event-driven simulation scheme that can deal with continuous time-, density- and coordinate-dependent reaction rates and could be used for a wide variety of stochastic systems. The results reveal two qualitative regimes. If the gradient is shallow, the rate of adaptation is limited by dispersion and increases linearly with the gradient slope. If the gradient is steep, the adaptation rate is limited by mutation. In this regime, the mean-field result is highly misleading: it predicts that the adaptation rate continues to increase with the gradient slope, whereas stochastic simulations show that it in fact decreases with the square root of the slope. This discrepancy underscores the importance of discreteness and stochasticity even at high population densities; mean-field results, including those routinely used in quantitative genetics, should be interpreted with care.

First principle study of structural, electronic and fermi surface properties of aluminum praseodymium

NASA Astrophysics Data System (ADS)

Shugani, Mani; Aynyas, Mahendra; Sanyal, S. P.

2018-05-01

We present a structural, Electronic and Fermi surface properties of Aluminum Praseodymium (AlPr) using First-principles density functional calculation by using full potential linearized augmented plane wave (FP-LAPW) method within generalized gradient approximation (GGA). The ground state properties along with electronic and Fermi surface properties are studied. It is found that AlPr is metallic and the bonding between Al and Pr is covalent.

Frequency Upconversion and Parametric Surface Instabilities in Microwave Plasma Interactions.

NASA Astrophysics Data System (ADS)

Rappaport, Harold Lee

In this thesis the interaction of radiation with plasmas whose density profiles are nearly step functions of space and/or time are studied. The wavelengths of radiation discussed are large compared with plasma density gradient scale lengths. The frequency spectra are evaluated and the energy balance investigated for the transmitted and reflected transient electromagnetic waves that are generated when a monochromatic source drives a finite width plasma in which a temporal step increase in density occurs. Transmission resonances associated with the abrupt boundaries manifest themselves as previously unreported multiple frequency peaks in the transmitted electromagnetic spectrum. A tunneling effect is described in which a burst of energy is transmitted from the plasma immediately following a temporal density transition. Stability of an abruptly bounded plasma, one for which the incident radiation wavelength is large compared with the plasma density gradient scale length, is investigated for both s and p polarized radiation types. For s-polarized radiation a new formalism is introduced in which pump induced perturbations are expressed as an explicit superposition of linear and non-linear plasma half-space modes. Results for a particular regime and a summary of relevant literature is presented. We conclude that when s-polarized radiation acts alone on an abrupt diffusely bounded underdense plasma stimulated excitation of electron surface modes is suppressed. For p-polarized radiation the recently proposed Lagrangian Frame Two-Plasmon Decay mode (LFTPD) ^dag is investigated in the regime in which the instability is not resonantly coupled to surface waves propagating along the boundary region. In this case, spatially dependent growth rate profiles and spatially dependent transit layer magnetic fields are reported. The regime is of interest because we have found that when the perturbation wavenumber parallel to the boundary is less than the pump frequency divided by twice the speed of light, energy radiates from the boundary region and these emissions can serve as an experimental signature for this mode. The theory of surface wave linear mode conversion is reviewed with special attention paid to power flow and energy conservation in this system. ftn^ dagYu. M. Aliev and G. Brodin, Phys. Rev. A 42, 2374 (1990).

A high power, high density helicon discharge for the plasma wakefield accelerator experiment AWAKE

NASA Astrophysics Data System (ADS)

Buttenschön, B.; Fahrenkamp, N.; Grulke, O.

2018-07-01

A plasma cell prototype for the plasma wakefield accelerator experiment AWAKE based on a helicon discharge is presented. In the 1 m long prototype module a multiple antenna helicon discharge with an rf power density of 100 MW m‑3 is established. Based on the helicon dispersion relation, a linear scaling of plasma density with magnetic field is observed for rf frequencies above the lower hybrid frequency, ω LH ≤ 0.8ω rf. Density profiles are highest on the device axis and show shallow radial gradients, thus providing a relatively constant plasma density in the center over a radial range of Δr ≈ 10 mm with less than 10% variation. Peak plasma densities up to 7 × 1020 m‑3 are transiently achieved with a reproducibility that is sufficient for AWAKE. The results are in good agreement with power balance calculations.

Convection induced by thermal gradients on thin reaction fronts

NASA Astrophysics Data System (ADS)

Ruelas Paredes, David R. A.; Vasquez, Desiderio A.

2017-09-01

We present a thin front model for the propagation of chemical reaction fronts in liquids inside a Hele-Shaw cell or porous media. In this model we take into account density gradients due to thermal and compositional changes across a thin interface. The front separating reacted from unreacted fluids evolves following an eikonal relation between the normal speed and the curvature. We carry out a linear stability analysis of convectionless flat fronts confined in a two-dimensional rectangular domain. We find that all fronts are stable to perturbations of short wavelength, but they become unstable for some wavelengths depending on the values of compositional and thermal gradients. If the effects of these gradients oppose each other, we observe a range of wavelengths that make the flat front unstable. Numerical solutions of the nonlinear model show curved fronts of steady shape with convection propagating faster than flat fronts. Exothermic fronts increase the temperature of the fluid as they propagate through the domain. This increment in temperature decreases with increasing speed.

Viscous relaxation of impact crater relief on Venus - Constraints on crustal thickness and thermal gradient

NASA Technical Reports Server (NTRS)

Grimm, Robert E.; Solomon, Sean C.

1988-01-01

Models for the viscous relaxation of impact crater topography are used to constrain the crustal thickness (H) and the mean lithospheric thermal gradient beneath the craters on Venus. A general formulation for gravity-driven flow in a linearly viscous fluid has been obtained which incorporates the densities and temperature-dependent effective viscosities of distinct crust and mantle layers. An upper limit to the crustal volume of Venus of 10 to the 10th cu km is obtained which implies either that the average rate of crustal generation has been much smaller on Venus than on earth or that some form of crustal recycling has occurred on Venus.

The multifacet graphically contracted function method. I. Formulation and implementation

NASA Astrophysics Data System (ADS)

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R.

2014-08-01

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N2n4) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

The multifacet graphically contracted function method. I. Formulation and implementation.

PubMed

Shepard, Ron; Gidofalvi, Gergely; Brozell, Scott R

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that both the energy and the gradient computation scale as O(N(2)n(4)) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N2 dissociation, cubic H8 dissociation, the symmetric dissociation of H2O, and the insertion of Be into H2. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.

Density Gradients in Chemistry Teaching

ERIC Educational Resources Information Center

Miller, P. J.

1972-01-01

Outlines experiments in which a density gradient might be used to advantage. A density gradient consists of a column of liquid, the composition and density of which varies along its length. The procedure can be used in analysis of solutions and mixtures and in density measures of solids. (Author/TS)

Radiofrequency pulse design using nonlinear gradient magnetic fields.

PubMed

Kopanoglu, Emre; Constable, R Todd

2015-09-01

An iterative k-space trajectory and radiofrequency (RF) pulse design method is proposed for excitation using nonlinear gradient magnetic fields. The spatial encoding functions (SEFs) generated by nonlinear gradient fields are linearly dependent in Cartesian coordinates. Left uncorrected, this may lead to flip angle variations in excitation profiles. In the proposed method, SEFs (k-space samples) are selected using a matching pursuit algorithm, and the RF pulse is designed using a conjugate gradient algorithm. Three variants of the proposed approach are given: the full algorithm, a computationally cheaper version, and a third version for designing spoke-based trajectories. The method is demonstrated for various target excitation profiles using simulations and phantom experiments. The method is compared with other iterative (matching pursuit and conjugate gradient) and noniterative (coordinate-transformation and Jacobian-based) pulse design methods as well as uniform density spiral and EPI trajectories. The results show that the proposed method can increase excitation fidelity. An iterative method for designing k-space trajectories and RF pulses using nonlinear gradient fields is proposed. The method can either be used for selecting the SEFs individually to guide trajectory design, or can be adapted to design and optimize specific trajectories of interest. © 2014 Wiley Periodicals, Inc.

Mineral density volume gradients in normal and diseased human tissues

DOE PAGES

Djomehri, Sabra I.; Candell, Susan; Case, Thomas; ...

2015-04-09

Clinical computed tomography provides a single mineral density (MD) value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca) to phosphorus (P) and Ca to zinc (Zn) elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT) benchtop unit were correlated with elemental mapping obtained from a microprobe X-raymore » fluorescence (XRF) using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males) contained significant mineral density variations (enamel: 2820-3095mg/cc, bone: 570-1415mg/cc, cementum: 1240-1340mg/cc, dentin: 1480-1590mg/cc, cementum affected by periodontitis: 1100-1220mg/cc, hypomineralized carious dentin: 345-1450mg/cc, hypermineralized carious dentin: 1815-2740mg/cc, and dental calculus: 1290-1770mg/cc). A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49), hypomineralized dentin (0.32-0.46), cementum (1.51), and bone (1.68) were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765) and in cementum (595-990), highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations.« less

Mineral density volume gradients in normal and diseased human tissues

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

Djomehri, Sabra I.; Candell, Susan; Case, Thomas

Clinical computed tomography provides a single mineral density (MD) value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca) to phosphorus (P) and Ca to zinc (Zn) elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT) benchtop unit were correlated with elemental mapping obtained from a microprobe X-raymore » fluorescence (XRF) using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males) contained significant mineral density variations (enamel: 2820-3095mg/cc, bone: 570-1415mg/cc, cementum: 1240-1340mg/cc, dentin: 1480-1590mg/cc, cementum affected by periodontitis: 1100-1220mg/cc, hypomineralized carious dentin: 345-1450mg/cc, hypermineralized carious dentin: 1815-2740mg/cc, and dental calculus: 1290-1770mg/cc). A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49), hypomineralized dentin (0.32-0.46), cementum (1.51), and bone (1.68) were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765) and in cementum (595-990), highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations.« less

Mineral density volume gradients in normal and diseased human tissues.

PubMed

Djomehri, Sabra I; Candell, Susan; Case, Thomas; Browning, Alyssa; Marshall, Grayson W; Yun, Wenbing; Lau, S H; Webb, Samuel; Ho, Sunita P

2015-01-01

Clinical computed tomography provides a single mineral density (MD) value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca) to phosphorus (P) and Ca to zinc (Zn) elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT) benchtop unit were correlated with elemental mapping obtained from a microprobe X-ray fluorescence (XRF) using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males) contained significant mineral density variations (enamel: 2820-3095 mg/cc, bone: 570-1415 mg/cc, cementum: 1240-1340 mg/cc, dentin: 1480-1590 mg/cc, cementum affected by periodontitis: 1100-1220 mg/cc, hypomineralized carious dentin: 345-1450 mg/cc, hypermineralized carious dentin: 1815-2740 mg/cc, and dental calculus: 1290-1770 mg/cc). A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49), hypomineralized dentin (0.32-0.46), cementum (1.51), and bone (1.68) were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765) and in cementum (595-990), highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations.

Mineral Density Volume Gradients in Normal and Diseased Human Tissues

PubMed Central

Djomehri, Sabra I.; Candell, Susan; Case, Thomas; Browning, Alyssa; Marshall, Grayson W.; Yun, Wenbing; Lau, S. H.; Webb, Samuel; Ho, Sunita P.

2015-01-01

Clinical computed tomography provides a single mineral density (MD) value for heterogeneous calcified tissues containing early and late stage pathologic formations. The novel aspect of this study is that, it extends current quantitative methods of mapping mineral density gradients to three dimensions, discretizes early and late mineralized stages, identifies elemental distribution in discretized volumes, and correlates measured MD with respective calcium (Ca) to phosphorus (P) and Ca to zinc (Zn) elemental ratios. To accomplish this, MD variations identified using polychromatic radiation from a high resolution micro-computed tomography (micro-CT) benchtop unit were correlated with elemental mapping obtained from a microprobe X-ray fluorescence (XRF) using synchrotron monochromatic radiation. Digital segmentation of tomograms from normal and diseased tissues (N=5 per group; 40-60 year old males) contained significant mineral density variations (enamel: 2820-3095mg/cc, bone: 570-1415mg/cc, cementum: 1240-1340mg/cc, dentin: 1480-1590mg/cc, cementum affected by periodontitis: 1100-1220mg/cc, hypomineralized carious dentin: 345-1450mg/cc, hypermineralized carious dentin: 1815-2740mg/cc, and dental calculus: 1290-1770mg/cc). A plausible linear correlation between segmented MD volumes and elemental ratios within these volumes was established, and Ca/P ratios for dentin (1.49), hypomineralized dentin (0.32-0.46), cementum (1.51), and bone (1.68) were observed. Furthermore, varying Ca/Zn ratios were distinguished in adapted compared to normal tissues, such as in bone (855-2765) and in cementum (595-990), highlighting Zn as an influential element in prompting observed adaptive properties. Hence, results provide insights on mineral density gradients with elemental concentrations and elemental footprints that in turn could aid in elucidating mechanistic processes for pathologic formations. PMID:25856386

Kinetic simulation of edge instability in fusion plasmas

NASA Astrophysics Data System (ADS)

Fulton, Daniel Patrick

In this work, gyrokinetic simulations in edge plasmas of both tokamaks and field reversed. configurations (FRC) have been carried out using the Gyrokinetic Toroidal Code (GTC) and A New Code (ANC) has been formulated for cross-separatrix FRC simulation. In the tokamak edge, turbulent transport in the pedestal of an H-mode DIII-D plasma is. studied via simulations of electrostatic driftwaves. Annulus geometry is used and simulations focus on two radial locations corresponding to the pedestal top with mild pressure gradient and steep pressure gradient. A reactive trapped electron instability with typical ballooning mode structure is excited in the pedestal top. At the steep gradient, the electrostatic instability exhibits unusual mode structure, peaking at poloidal angles theta=+- pi/2. Simulations find this unusual mode structure is due to steep pressure gradients in the pedestal but not due to the particular DIII-D magnetic geometry. Realistic DIII-D geometry has a stabilizing effect compared to a simple circular tokamak geometry. Driftwave instability in FRC is studied for the first time using gyrokinetic simulation. GTC. is upgraded to treat realistic equilibrium calculated by an MHD equilibrium code. Electrostatic local simulations in outer closed flux surfaces find ion-scale modes are stable due to the large ion gyroradius and that electron drift-interchange modes are excited by electron temperature gradient and bad magnetic curvature. In the scrape-off layer (SOL) ion-scale modes are excited by density gradient and bad curvature. Collisions have weak effects on instabilities both in the core and SOL. Simulation results are consistent with density fluctuation measurements in the C-2 experiment using Doppler backscattering (DBS). The critical density gradients measured by the DBS qualitatively agree with the linear instability threshold calculated by GTC simulations. One outstanding critical issue in the FRC is the interplay between turbulence in the FRC. core and SOL regions. While the magnetic flux coordinates used by GTC provide a number of computational advantages, they present unique challenges at the magnetic field separatrix. To address this limitation, a new code, capable of coupled core-SOL simulations, is formulated, implemented, and successfully verified.

Electron-ion hybrid instability experiment upgrades to the Auburn Linear Experiment for Instability Studies.

PubMed

DuBois, A M; Arnold, I; Thomas, E; Tejero, E; Amatucci, W E

2013-04-01

The Auburn Linear EXperiment for Instability Studies (ALEXIS) is a laboratory plasma physics experiment used to study spatially inhomogeneous flows in a magnetized cylindrical plasma column that are driven by crossed electric (E) and magnetic (B) fields. ALEXIS was recently upgraded to include a small, secondary plasma source for a new dual source, interpenetrating plasma experiment. Using two plasma sources allows for highly localized electric fields to be made at the boundary of the two plasmas, inducing strong E × B velocity shear in the plasma, which can give rise to a regime of instabilities that have not previously been studied in ALEXIS. The dual plasma configuration makes it possible to have independent control over the velocity shear and the density gradient. This paper discusses the recent addition of the secondary plasma source to ALEXIS, as well as the plasma diagnostics used to measure electric fields and electron densities.

Compton profiles and electronic properties of TiB{sub 2}

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

Bhatt, Samir, E-mail: sameerbhatt011@gmail.com; Suthar, K. K.; Ahuja, B. L.

In this paper, we report the experimental Compton profile (CP) of TiB{sub 2} using high energy {sup 137}Cs γ-rays Compton spectrometer. To interpret the experimental momentum density, we have calculated the CPs using Hartree-Fock (HF), density functional theory (DFT) and hybridization of DFT and HF within linear combination of atomic orbitals. The theoretical profile with generalized gradient approximation is found to be relatively in better agreement with the experimental profile. A sharp valley in density of states and hence the pseudogap near the Fermi energy is attributed to hybridization of Ti-3d and B-2p states and almost reverse trend of energymore » bands below and above the Fermi energy.« less

Modeling of salt and pH gradient elution in ion-exchange chromatography.

PubMed

Schmidt, Michael; Hafner, Mathias; Frech, Christian

2014-01-01

The separation of proteins by internally and externally generated pH gradients in chromatofocusing on ion-exchange columns is a well-established analytical method with a large number of applications. In this work, a stoichiometric displacement model was used to describe the retention behavior of lysozyme on SP Sepharose FF and a monoclonal antibody on Fractogel SO3 (S) in linear salt and pH gradient elution. The pH dependence of the binding charge B in the linear gradient elution model is introduced using a protein net charge model, while the pH dependence of the equilibrium constant is based on a thermodynamic approach. The model parameter and pH dependences are calculated from linear salt gradient elutions at different pH values as well as from linear pH gradient elutions at different fixed salt concentrations. The application of the model for the well-characterized protein lysozyme resulted in almost identical model parameters based on either linear salt or pH gradient elution data. For the antibody, only the approach based on linear pH gradients is feasible because of the limited pH range useful for salt gradient elution. The application of the model for the separation of an acid variant of the antibody from the major monomeric form is discussed. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Neutral winds and electric fields from model studies using reduced ionograms

NASA Technical Reports Server (NTRS)

Baran, D. E.

1974-01-01

A relationship between the vertical component of the ion velocity and electron density profiles derived from reduced ionograms is developed. Methods for determining the horizontal components of the neutral winds and electric fields by using this relationship and making use of the variations of the inclinations and declinations of the earth's magnetic field are presented. The effects that electric fields have on the neutral wind calculations are estimated to be small but not second order. Seasonal and latitudinal variations of the calculated neutral winds are presented. From the calculated neutral winds a new set of neutral pressure gradients is determined. The new pressure gradients are compared with those generated from several static neutral atmospheric models. Sensitivity factors relating the pressure gradients and neutral winds are calculated and these indicate that mode coupling and harmonic generation are important to studies which assume linearized theories.

Thermal-gradient migration of brine inclusions in salt crystals. [Synthetic single crystals of NaCl and KCl

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

Yagnik, S.K.

1982-09-01

It has been proposed that high-level nuclear waste be disposed in a geologic repository. Natural-salt deposits, which are being considered for this purpose, contain a small volume fraction of water in the form of brine inclusions distributed throughout the salt. Radioactive-decay heating of the nuclear wastes will impose a temperature gradient on the surrounding salt which mobilizes the brine inclusions. Inclusions filled completely with brine migrate up the temperature gradient and eventually accumulate brine near the buried waste forms. The brine may slowly corrode or degrade the waste forms which is undesirable. In this work, thermal gradient migration of bothmore » all-liquid and gas-liquid inclusions was experimentally studied in synthetic single crystals of NaCl and KCl using a hot-stage attachment to an optical microscope which was capable of imposing temperature gradients and axial compressive loads on the crystals. The migration velocities of the inclusions were found to be dependent on temperature, temperature gradient, and inclusion shape and size. The velocities were also dictated by the interfacial mass transfer resistance at brine/solid interface. This interfacial resistance depends on the dislocation density in the crystal, which in turn, depends on the axial compressive loading of the crystal. At low axial loads, the dependence between the velocity and temperature gradient is non-linear.At high axial loads, however, the interfacial resistance is reduced and the migration velocity depends linearly on the temperature gradient. All-liquid inclusions filled with mixed brines were also studied. For gas-liquid inclusions, three different gas phases (helium, air and argon) were compared. Migration studies were also conducted on single crystallites of natural salt as well as in polycrystalline natural salt samples. The behavior of the inclusions at large angle grain boundaries was observed. 35 figures, 3 tables.« less

Spiral density waves and vertical circulation in protoplanetary discs

NASA Astrophysics Data System (ADS)

Riols, A.; Latter, H.

2018-06-01

Spiral density waves dominate several facets of accretion disc dynamics - planet-disc interactions and gravitational instability (GI) most prominently. Though they have been examined thoroughly in two-dimensional simulations, their vertical structures in the non-linear regime are somewhat unexplored. This neglect is unwarranted given that any strong vertical motions associated with these waves could profoundly impact dust dynamics, dust sedimentation, planet formation, and the emissivity of the disc surface. In this paper, we combine linear calculations and shearing box simulations in order to investigate the vertical structure of spiral waves for various polytropic stratifications and wave amplitudes. For sub-adiabatic profiles, we find that spiral waves develop a pair of counter-rotating poloidal rolls. Particularly strong in the non-linear regime, these vortical structures issue from the baroclinicity supported by the background vertical entropy gradient. They are also intimately connected to the disc's g modes which appear to interact non-linearly with the density waves. Furthermore, we demonstrate that the poloidal rolls are ubiquitous in gravitoturbulence, emerging in the vicinity of GI spiral wakes, and potentially transporting grains off the disc mid-plane. Other than hindering sedimentation and planet formation, this phenomena may bear on observations of the disc's scattered infrared luminosity. The vortical features could also impact on the turbulent dynamo operating in young protoplanetary discs subject to GI, or possibly even galactic discs.

Preliminary isostatic residual gravity map of the Tremonton 30' x 60' quadrangle, Box Elder and Cache Counties, Utah, and Franklin and Oneida Counties, Idaho

USGS Publications Warehouse

Langenheim, Victoria; Oaks, R.Q.; Willis, H.; Hiscock, A.I.; Chuchel, Bruce A.; Rosario, Jose J.; Hardwick, C.L.

2014-01-01

A new isostatic residual gravity map of the Tremonton 30' x 60' quadrangle of Utah is based on compilation of preexisting data and new data collected by the Utah and U.S. Geological Surveys. Pronounced gravity lows occur over North Bay, northwest of Brigham City, and Malad and Blue Creek Valleys, indicating significant thickness of low-density Tertiary sedimentary rocks and deposits. Gravity highs coincide with exposures of dense pre-Cenozoic rocks in the Promontory, Clarkston, and Wellsville Mountains. The highest gravity values are located in southern Curlew Valley and may be produced in part by deeper crustal density variations or crustal thinning. Steep, linear gravity gradients coincide with Quaternary faults bounding the Wellsville and Clarkston Mountains. Steep gradients also coincide with the margins of the Promontory Mountains, Little Mountain, West Hills, and the eastern margin of the North Promontory Mountains and may define concealed basin-bounding faults.

Magnetic Field Generation Processes Involving Gravity and Differential Rotation. Solitary Plasma Rings Formation around Black Holes

NASA Astrophysics Data System (ADS)

Coppi, Bruno

2012-10-01

A clear theoretical framework to describe how magnetic fields are generated and amplified is provided by the magneto-gravitational modes that involve both differential rotation and gravity and for which other factors such as temperature gradients can contribute to their excitation. These modes are shown to be important for the evolution of plasma disks surrounding black holes.footnotetextB. Coppi, Phys. Plasmas 18, 032901 (2011) Non-linear and axi-symmetric plasmas and associated field configurations are found under stationary conditions that do not involve the presence of a pre-existing ``seed'' magnetic field unlike other configurations found previously.footnotetextIbid. The relevant magnetic energy density is of the order of the gravitationally confined plasma pressure. The solitary plasma rings that characterize these configurations are localized radially over regions with vanishing differential rotation and can be envisioned as the saturated state of magneto-gravitational modes. The ``source'' of these configurations is the combination of the gravitational force and of the plasma density gradient orthogonal to it.

Richtmyer-Meshkov instability in shock-flame interactions

NASA Astrophysics Data System (ADS)

Massa, Luca; Pallav Jha Collaboration

2011-11-01

Shock-flame interactions occur in supersonic mixing and detonation formation. Therefore, their analysis is important to explosion safety, internal combustion engine performance, and supersonic combustor design. The fundamental process at the basis of the interaction is the Richtmyer-Meshkov instability supported by the density difference between burnt and fresh mixtures. In the present study we analyze the effect of reactivity on the Richtmyer- Meshkov instability with particular emphasis on combustion lengths that typify the scaling between perturbation growth and induction. The results of the present linear analysis study show that reactivity changes the perturbation growth rate by developing a non-zero pressure gradient at the flame surface. The baroclinic torque based on the density gradient across the flame acts to slow down the instability growth for high wave numbers. A non-hydrodynamic flame representation leads to the definition of an additional scaling Peclet number, the effects of which are investigated. It is found that an increased flame-contact separation destabilizes the contact discontinuity by augmenting the tangential shear.

Linear variable narrow bandpass optical filters in the far infrared (Conference Presentation)

NASA Astrophysics Data System (ADS)

Rahmlow, Thomas D.

2017-06-01

We are currently developing linear variable filters (LVF) with very high wavelength gradients. In the visible, these filters have a wavelength gradient of 50 to 100 nm/mm. In the infrared, the wavelength gradient covers the range of 500 to 900 microns/mm. Filter designs include band pass, long pass and ulta-high performance anti-reflection coatings. The active area of the filters is on the order of 5 to 30 mm along the wavelength gradient and up to 30 mm in the orthogonal, constant wavelength direction. Variation in performance along the constant direction is less than 1%. Repeatable performance from filter to filter, absolute placement of the filter relative to a substrate fiducial and, high in-band transmission across the full spectral band is demonstrated. Applications include order sorting filters, direct replacement of the spectrometer and hyper-spectral imaging. Off-band rejection with an optical density of greater than 3 allows use of the filter as an order sorting filter. The linear variable order sorting filters replaces other filter types such as block filters. The disadvantage of block filters is the loss of pixels due to the transition between filter blocks. The LVF is a continuous gradient without a discrete transition between filter wavelength regions. If the LVF is designed as a narrow band pass filter, it can be used in place of a spectrometer thus reducing overall sensor weight and cost while improving the robustness of the sensor. By controlling the orthogonal performance (smile) the LVF can be sized to the dimensions of the detector. When imaging on to a 2 dimensional array and operating the sensor in a push broom configuration, the LVF spectrometer performs as a hyper-spectral imager. This paper presents performance of LVF fabricated in the far infrared on substrates sized to available detectors. The impact of spot size, F-number and filter characterization are presented. Results are also compared to extended visible LVF filters.

Interface width effect on the classical Rayleigh-Taylor instability in the weakly nonlinear regime

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

Wang, L. F.; State Key Laboratory for Geomechanics and Deep Underground Engineering, China University of Mining and Technology, Beijing 100083; Ye, W. H.

2010-05-15

In this paper, the interface width effects (i.e., the density gradient effects or the density transition layer effects) on the Rayleigh-Taylor instability (RTI) in the weakly nonlinear (WN) regime are investigated by numerical simulation (NS). It is found that the interface width effects dramatically influence the linear growth rate in the linear growth regime and the mode coupling process in the WN growth regime. First, the interface width effects decrease the linear growth rate of the RTI, particularly for the short perturbation wavelengths. Second, the interface width effects suppress (reduce) the third-order feedback to the fundamental mode, which induces themore » nonlinear saturation amplitude (NSA) to exceed the classical prediction, 0.1lambda. The wider the density transition layer is, the larger the NSA is. The NSA in our NS can reach a half of its perturbation wavelength. Finally, the interface width effects suppress the generation and the growth of the second and the third harmonics. The ability to suppress the harmonics' growth increases with the interface width but decreases with the perturbation wavelength. On the whole, in the WN regime, the interface width effects stabilize the RTI, except for an enhancement of the NSA, which is expected to improve the understanding of the formation mechanism for the astrophysical jets, and for the jetlike long spikes in the high energy density physics.« less

Adsorption of Poly(methyl methacrylate) on Concave Al2O3 Surfaces in Nanoporous Membranes

PubMed Central

Nunnery, Grady; Hershkovits, Eli; Tannenbaum, Allen; Tannenbaum, Rina

2009-01-01

The objective of this study was to determine the influence of polymer molecular weight and surface curvature on the adsorption of polymers onto concave surfaces. Poly(methyl methacrylate) (PMMA) of various molecular weights was adsorbed onto porous aluminum oxide membranes having various pore sizes, ranging from 32 to 220 nm. The surface coverage, expressed as repeat units per unit surface area, was observed to vary linearly with molecular weight for molecular weights below ~120 000 g/mol. The coverage was independent of molecular weight above this critical molar mass, as was previously reported for the adsorption of PMMA on convex surfaces. Furthermore, the coverage varied linearly with pore size. A theoretical model was developed to describe curvature-dependent adsorption by considering the density gradient that exists between the surface and the edge of the adsorption layer. According to this model, the density gradient of the adsorbed polymer segments scales inversely with particle size, while the total coverage scales linearly with particle size, in good agreement with experiment. These results show that the details of the adsorption of polymers onto concave surfaces with cylindrical geometries can be used to calculate molecular weight (below a critical molecular weight) if pore size is known. Conversely, pore size can also be determined with similar adsorption experiments. Most significantly, for polymers above a critical molecular weight, the precise molecular weight need not be known in order to determine pore size. Moreover, the adsorption developed and validated in this work can be used to predict coverage also onto surfaces with different geometries. PMID:19415910

Optimization of non-linear gradient in hydrophobic interaction chromatography for the analytical characterization of antibody-drug conjugates.

PubMed

Bobály, Balázs; Randazzo, Giuseppe Marco; Rudaz, Serge; Guillarme, Davy; Fekete, Szabolcs

2017-01-20

The goal of this work was to evaluate the potential of non-linear gradients in hydrophobic interaction chromatography (HIC), to improve the separation between the different homologous species (drug-to-antibody, DAR) of commercial antibody-drug conjugates (ADC). The selectivities between Brentuximab Vedotin species were measured using three different gradient profiles, namely linear, power function based and logarithmic ones. The logarithmic gradient provides the most equidistant retention distribution for the DAR species and offers the best overall separation of cysteine linked ADC in HIC. Another important advantage of the logarithmic gradient, is its peak focusing effect for the DAR0 species, which is particularly useful to improve the quantitation limit of DAR0. Finally, the logarithmic behavior of DAR species of ADC in HIC was modelled using two different approaches, based on i) the linear solvent strength theory (LSS) and two scouting linear gradients and ii) a new derived equation and two logarithmic scouting gradients. In both cases, the retention predictions were excellent and systematically below 3% compared to the experimental values. Copyright © 2016 Elsevier B.V. All rights reserved.

Density functional theory calculations of III-N based semiconductors with mBJLDA

NASA Astrophysics Data System (ADS)

Gürel, Hikmet Hakan; Akıncı, Özden; Ünlü, Hilmi

2017-02-01

In this work, we present first principles calculations based on a full potential linear augmented plane-wave method (FP-LAPW) to calculate structural and electronic properties of III-V based nitrides such as GaN, AlN, InN in a zinc-blende cubic structure. First principles calculation using the local density approximation (LDA) and generalized gradient approximation (GGA) underestimate the band gap. We proposed a new potential called modified Becke-Johnson local density approximation (MBJLDA) that combines modified Becke-Johnson exchange potential and the LDA correlation potential to get better band gap results compared to experiment. We compared various exchange-correlation potentials (LSDA, GGA, HSE, and MBJLDA) to determine band gaps and structural properties of semiconductors. We show that using MBJLDA density potential gives a better agreement with experimental data for band gaps III-V nitrides based semiconductors.

Exchange Energy Density Functionals that reproduce the Linear Response Function of the Free Electron Gas

NASA Astrophysics Data System (ADS)

García-Aldea, David; Alvarellos, J. E.

2009-03-01

We present several nonlocal exchange energy density functionals that reproduce the linear response function of the free electron gas. These nonlocal functionals are constructed following a similar procedure used previously for nonlocal kinetic energy density functionals by Chac'on-Alvarellos-Tarazona, Garc'ia-Gonz'alez et al., Wang-Govind-Carter and Garc'ia-Aldea-Alvarellos. The exchange response function is not known but we have used the approximate response function developed by Utsumi and Ichimaru, even we must remark that the same ansatz can be used to reproduce any other response function with the same scaling properties. We have developed two families of new nonlocal functionals: one is constructed with a mathematical structure based on the LDA approximation -- the Dirac functional for the exchange - and for the second one the structure of the second order gradient expansion approximation is took as a model. The functionals are constructed is such a way that they can be used in localized systems (using real space calculations) and in extended systems (using the momentum space, and achieving a quasilinear scaling with the system size if a constant reference electron density is defined).

Density functional theory calculations of the water interactions with ZrO2 nanoparticles Y2O3 doped

NASA Astrophysics Data System (ADS)

Subhoni, Mekhrdod; Kholmurodov, Kholmirzo; Doroshkevich, Aleksandr; Asgerov, Elmar; Yamamoto, Tomoyuki; Lyubchyk, Andrei; Almasan, Valer; Madadzada, Afag

2018-03-01

Development of a new electricity generation techniques is one of the most relevant tasks, especially nowadays under conditions of extreme growth in energy consumption. The exothermic heterogeneous electrochemical energy conversion to the electric energy through interaction of the ZrO2 based nanopowder system with atmospheric moisture is one of the ways of electric energy obtaining. The questions of conversion into the electric form of the energy of water molecules adsorption in 3 mol% Y2O3 doped ZrO2 nanopowder systems were investigated using the density functional theory calculations. The density functional theory calculations has been realized as in the Kohn-Sham formulation, where the exchange-correlation potential is approximated by a functional of the electronic density. The electronic density, total energy and band structure calculations are carried out using the all-electron, full potential, linear augmented plane wave method of the electronic density and related approximations, i.e. the local density, the generalized gradient and their hybrid approximations.

Connections between density, wall-normal velocity, and coherent structure in a heated turbulent boundary layer

NASA Astrophysics Data System (ADS)

Saxton-Fox, Theresa; Gordeyev, Stanislav; Smith, Adam; McKeon, Beverley

2015-11-01

Strong density gradients associated with turbulent structure were measured in a mildly heated turbulent boundary layer using an optical sensor (Malley probe). The Malley probe measured index of refraction gradients integrated along the wall-normal direction, which, due to the proportionality of index of refraction and density in air, was equivalently an integral measure of density gradients. The integral output was observed to be dominated by strong, localized density gradients. Conditional averaging and Pearson correlations identified connections between the streamwise gradient of density and the streamwise gradient of wall-normal velocity. The trends were suggestive of a process of pick-up and transport of heat away from the wall. Additionally, by considering the density field as a passive marker of structure, the role of the wall-normal velocity in shaping turbulent structure in a sheared flow was examined. Connections were developed between sharp gradients in the density and flow fields and strong vertical velocity fluctuations. This research is made possible by the Department of Defense through the National Defense & Engineering Graduate Fellowship (NDSEG) Program and by the Air Force Office of Scientific Research Grant # FA9550-12-1-0060.

Comparative In Situ Measurements of Plasma Instabilities in the Equatorial and Auroral Electrojets

NASA Technical Reports Server (NTRS)

Pfaff, Robert F.

2008-01-01

This presentation provides a comparison of in situ measurements of plasma instabilities gathered by rocket-borne probes in the equatorial and auroral electrojets. Specifically, using detailed measurements of the DC electric fields, current density, and plasma number density within the unstable daytime equatorial electrojet from Brazil (Guara Campaign) and in the auroral electrojet from Sweden (ERRIS Campaign), we present comparative observations and general conclusions regarding the observed physical properties of Farley-Buneman two-stream waves and large scale, gradient drift waves. The two stream observations reveal coherent-like waves propagating near the E x B direction but at reduced speeds (nearer to the presumed acoustic velocity) with wavelengths of approximately 5-10m in both the equatorial and auroral electrojet, as measured using the spaced-receiver technique. The auroral electrojet data generally shows extensions to shorter wavelengths, in concert with the fact that these waves are driven harder. With respect to gradient-drift driven waves, observations of this instability are much more pronounced in the equatorial electrojet, given the more favorable geometry for growth provided by the vertical gradient and horizontal magnetic field lines. We present new analysis of Guara rocket observations of electric field and plasma density data that reveal considerable structuring in the middle and lower portion of the electrojet (90-105 km) where the ambient plasma density gradient is unstable. Although the electric field amplitudes are largest (approximately 10-15 mV/m) in the zonal direction, considerable structure (approximately 5-10 mV/m) is also observed in the vertical electric field component as well, implying that the dominant large scale waves involve significant vertical interaction and coupling within the narrow altitude range where they are observed. Furthermore, a detailed examination of the phase of the waveforms show that on some, but not all occasions, locally enhanced eastward fields are associated with locally enhanced upwards (polarization) electric fields. The measurements are discussed in terms of theories involving the non-linear evolution and structuring of plasma waves.

Research in computer science

NASA Technical Reports Server (NTRS)

Ortega, J. M.

1985-01-01

Synopses are given for NASA supported work in computer science at the University of Virginia. Some areas of research include: error seeding as a testing method; knowledge representation for engineering design; analysis of faults in a multi-version software experiment; implementation of a parallel programming environment; two computer graphics systems for visualization of pressure distribution and convective density particles; task decomposition for multiple robot arms; vectorized incomplete conjugate gradient; and iterative methods for solving linear equations on the Flex/32.

Global hybrids from the semiclassical atom theory satisfying the local density linear response.

PubMed

Fabiano, Eduardo; Constantin, Lucian A; Cortona, Pietro; Della Sala, Fabio

2015-01-13

We propose global hybrid approximations of the exchange-correlation (XC) energy functional which reproduce well the modified fourth-order gradient expansion of the exchange energy in the semiclassical limit of many-electron neutral atoms and recover the full local density approximation (LDA) linear response. These XC functionals represent the hybrid versions of the APBE functional [Phys. Rev. Lett. 2011, 106, 186406] yet employing an additional correlation functional which uses the localization concept of the correlation energy density to improve the compatibility with the Hartree-Fock exchange as well as the coupling-constant-resolved XC potential energy. Broad energetic and structural testing, including thermochemistry and geometry, transition metal complexes, noncovalent interactions, gold clusters and small gold-molecule interfaces, as well as an analysis of the hybrid parameters, show that our construction is quite robust. In particular, our testing shows that the resulting hybrid, including 20% of Hartree-Fock exchange and named hAPBE, performs remarkably well for a broad palette of systems and properties, being generally better than popular hybrids (PBE0 and B3LYP). Semiempirical dispersion corrections are also provided.

Lattice dynamic properties of Rh2XAl (X=Fe and Y) alloys

NASA Astrophysics Data System (ADS)

Al, Selgin; Arikan, Nihat; Demir, Süleyman; Iyigör, Ahmet

2018-02-01

The electronic band structure, elastic and vibrational spectra of Rh2FeAl and Rh2YAl alloys were computed in detail by employing an ab-initio pseudopotential method and a linear-response technique based on the density-functional theory (DFT) scheme within a generalized gradient approximation (GGA). Computed lattice constants, bulk modulus and elastic constants were compared. Rh2YAl exhibited higher ability to resist volume change than Rh2FeAl. The elastic constants, shear modulus, Young modulus, Poisson's ratio, B/G ratio electronic band structure, total and partial density of states, and total magnetic moment of alloys were also presented. Rh2FeAl showed spin up and spin down states whereas Rh2YAl showed none due to being non-magnetic. The calculated total densities of states for both materials suggest that both alloys are metallic in nature. Full phonon spectra of Rh2FeAl and Rh2YA1 alloys in the L21 phase were collected using the ab-initio linear response method. The obtained phonon frequencies were in the positive region indicating that both alloys are dynamically stable.

Energy dynamics in a simulation of LAPD turbulence

NASA Astrophysics Data System (ADS)

Friedman, B.; Carter, T. A.; Umansky, M. V.; Schaffner, D.; Dudson, B.

2012-10-01

Energy dynamics calculations in a 3D fluid simulation of drift wave turbulence in the linear Large Plasma Device [W. Gekelman et al., Rev. Sci. Instrum. 62, 2875 (1991)] illuminate processes that drive and dissipate the turbulence. These calculations reveal that a nonlinear instability dominates the injection of energy into the turbulence by overtaking the linear drift wave instability that dominates when fluctuations about the equilibrium are small. The nonlinear instability drives flute-like (k∥=0) density fluctuations using free energy from the background density gradient. Through nonlinear axial wavenumber transfer to k∥≠0 fluctuations, the nonlinear instability accesses the adiabatic response, which provides the requisite energy transfer channel from density to potential fluctuations as well as the phase shift that causes instability. The turbulence characteristics in the simulations agree remarkably well with experiment. When the nonlinear instability is artificially removed from the system through suppressing k∥=0 modes, the turbulence develops a coherent frequency spectrum which is inconsistent with experimental data. This indicates the importance of the nonlinear instability in producing experimentally consistent turbulence.

Single fiber lignin distributions based on the density gradient column method

Treesearch

Brian Boyer; Alan W. Rudie

2007-01-01

The density gradient column method was used to determine the effects of uniform and non-uniform pulping processes on variation in individual fiber lignin concentrations of the resulting pulps. A density gradient column uses solvents of different densities and a mixing process to produce a column of liquid with a smooth transition from higher density at the bottom to...

Increased electron temperature turbulence during suppression of edge localized mode by resonant magnetic perturbations in the DIII-D tokamak

NASA Astrophysics Data System (ADS)

Sung, C.; Wang, G.; Rhodes, T. L.; Smith, S. P.; Osborne, T. H.; Ono, M.; McKee, G. R.; Yan, Z.; Groebner, R. J.; Davis, E. M.; Zeng, L.; Peebles, W. A.; Evans, T. E.

2017-11-01

The first observation of increased electron temperature turbulence during edge localized mode (ELM) suppression by resonant magnetic perturbations (RMPs) is presented. These are long wavelength fluctuations (kθρs ≤ 0.2, where kθ = poloidal wavenumber and ρs = ion sound gyroradius) observed during H-mode plasmas on the DIII-D. This increase occurs only after ELMs are suppressed and are not observed during the initial RMP application. The T˜ e/Te increases ( >60%) are coincident with changes in normalized density and electron temperature gradients in the region from the top of the pedestal outward to the upper portion of the steep edge gradient. Density turbulence (kθρs ≤ 0.4) in this location was also observed to increase only after ELM suppression. These results are significant since they indicate that increased gradient-driven turbulent transport is one possible mechanism to regulate and maintain ELM-free H-mode operation. Investigation of linear stability of drift wave instabilities using the CGYRO code [Candy et al., J. Comput. Phys. 324, 73 (2016)] shows that the dominant mode moves closer to the electron mode branch from the ion mode branch only after ELMs are suppressed, correlated with the increased turbulence. The increased turbulence during ELM suppression, rather than with the initial RMP application, indicates that the often observed RMP induced "density pump-out" cannot be attributed to long wavelength edge turbulence level changes.

Conjugate gradient type methods for linear systems with complex symmetric coefficient matrices

NASA Technical Reports Server (NTRS)

Freund, Roland

1989-01-01

We consider conjugate gradient type methods for the solution of large sparse linear system Ax equals b with complex symmetric coefficient matrices A equals A(T). Such linear systems arise in important applications, such as the numerical solution of the complex Helmholtz equation. Furthermore, most complex non-Hermitian linear systems which occur in practice are actually complex symmetric. We investigate conjugate gradient type iterations which are based on a variant of the nonsymmetric Lanczos algorithm for complex symmetric matrices. We propose a new approach with iterates defined by a quasi-minimal residual property. The resulting algorithm presents several advantages over the standard biconjugate gradient method. We also include some remarks on the obvious approach to general complex linear systems by solving equivalent real linear systems for the real and imaginary parts of x. Finally, numerical experiments for linear systems arising from the complex Helmholtz equation are reported.

Modelling of Dictyostelium discoideum movement in a linear gradient of chemoattractant.

PubMed

Eidi, Zahra; Mohammad-Rafiee, Farshid; Khorrami, Mohammad; Gholami, Azam

2017-11-15

Chemotaxis is a ubiquitous biological phenomenon in which cells detect a spatial gradient of chemoattractant, and then move towards the source. Here we present a position-dependent advection-diffusion model that quantitatively describes the statistical features of the chemotactic motion of the social amoeba Dictyostelium discoideum in a linear gradient of cAMP (cyclic adenosine monophosphate). We fit the model to experimental trajectories that are recorded in a microfluidic setup with stationary cAMP gradients and extract the diffusion and drift coefficients in the gradient direction. Our analysis shows that for the majority of gradients, both coefficients decrease over time and become negative as the cells crawl up the gradient. The extracted model parameters also show that besides the expected drift in the direction of the chemoattractant gradient, we observe a nonlinear dependency of the corresponding variance on time, which can be explained by the model. Furthermore, the results of the model show that the non-linear term in the mean squared displacement of the cell trajectories can dominate the linear term on large time scales.

Electronic properties of Fe3O4: LCAO calculations and Compton spectroscopy

NASA Astrophysics Data System (ADS)

Panwar, Kalpana; Tiwari, Shailja; Heda, N. L.

2018-04-01

We report the Compton profile (CP) measurements of Fe3O4 using 100 mCi241Am Compton spectrometer at momentum resolution of 0.55 a.u. The experimental CP has been compared with the linear combination of atomic orbitals (LCAO) data within density functional theory (DFT). The local density and generalized gradient approximation (LDA and GGA, respectively) have been used under the framework of DFT scheme. It is found that the DFT-GGA scheme gives the better agreement than to DFT-LDA. In addition, we have also computed the M ulliken's population (M P) and density of states (DOS) using the DFT scheme. M P data predicts the charge transfer from Fe to O atoms while DOS have confirmed the half metallic character of the compound.

Structural, elastic and electronic properties of transition metal carbides ZnC, NbC and their ternary alloys ZnxNb1-xC

NASA Astrophysics Data System (ADS)

Zidi, Y.; Méçabih, S.; Abbar, B.; Amari, S.

2018-02-01

We have investigated the structural, electronic and elastic properties of transition-metal carbides ZnxNb1-xC alloys in the range of 0 ≤ x ≤ 1 using the density functional theory (DFT). The full potential linearized augmented plane wave (FP-LAPW) method within a framework of the generalized gradient approximation (GGA) and GGA + U (where U is the Hubbard correlation terms) approach is used to perform the calculations presented here. The lattice parameters, the bulk modulus, its pressure derivative and the elastic constants were determined. We have obtained Young's modulus, shear modulus, Poisson's ratio, anisotropy factor by the aid of the calculated elastic constants. We discuss the total and partial densities of states and charge densities.

The multifacet graphically contracted function method. I. Formulation and implementation

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

Shepard, Ron; Brozell, Scott R.; Gidofalvi, Gergely

2014-08-14

The basic formulation for the multifacet generalization of the graphically contracted function (MFGCF) electronic structure method is presented. The analysis includes the discussion of linear dependency and redundancy of the arc factor parameters, the computation of reduced density matrices, Hamiltonian matrix construction, spin-density matrix construction, the computation of optimization gradients for single-state and state-averaged calculations, graphical wave function analysis, and the efficient computation of configuration state function and Slater determinant expansion coefficients. Timings are given for Hamiltonian matrix element and analytic optimization gradient computations for a range of model problems for full-CI Shavitt graphs, and it is observed that bothmore » the energy and the gradient computation scale as O(N{sup 2}n{sup 4}) for N electrons and n orbitals. The important arithmetic operations are within dense matrix-matrix product computational kernels, resulting in a computationally efficient procedure. An initial implementation of the method is used to present applications to several challenging chemical systems, including N{sub 2} dissociation, cubic H{sub 8} dissociation, the symmetric dissociation of H{sub 2}O, and the insertion of Be into H{sub 2}. The results are compared to the exact full-CI values and also to those of the previous single-facet GCF expansion form.« less

RF Pulse Design using Nonlinear Gradient Magnetic Fields

PubMed Central

Kopanoglu, Emre; Constable, R. Todd

2014-01-01

Purpose An iterative k-space trajectory and radio-frequency (RF) pulse design method is proposed for Excitation using Nonlinear Gradient Magnetic fields (ENiGMa). Theory and Methods The spatial encoding functions (SEFs) generated by nonlinear gradient fields (NLGFs) are linearly dependent in Cartesian-coordinates. Left uncorrected, this may lead to flip-angle variations in excitation profiles. In the proposed method, SEFs (k-space samples) are selected using a Matching-Pursuit algorithm, and the RF pulse is designed using a Conjugate-Gradient algorithm. Three variants of the proposed approach are given: the full-algorithm, a computationally-cheaper version, and a third version for designing spoke-based trajectories. The method is demonstrated for various target excitation profiles using simulations and phantom experiments. Results The method is compared to other iterative (Matching-Pursuit and Conjugate Gradient) and non-iterative (coordinate-transformation and Jacobian-based) pulse design methods as well as uniform density spiral and EPI trajectories. The results show that the proposed method can increase excitation fidelity significantly. Conclusion An iterative method for designing k-space trajectories and RF pulses using nonlinear gradient fields is proposed. The method can either be used for selecting the SEFs individually to guide trajectory design, or can be adapted to design and optimize specific trajectories of interest. PMID:25203286

Recent work on material interface reconstruction

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

Mosso, S.J.; Swartz, B.K.

1997-12-31

For the last 15 years, many Eulerian codes have relied on a series of piecewise linear interface reconstruction algorithms developed by David Youngs. In a typical Youngs` method, the material interfaces were reconstructed based upon nearly cell values of volume fractions of each material. The interfaces were locally represented by linear segments in two dimensions and by pieces of planes in three dimensions. The first step in such reconstruction was to locally approximate an interface normal. In Youngs` 3D method, a local gradient of a cell-volume-fraction function was estimated and taken to be the local interface normal. A linear interfacemore » was moved perpendicular to the now known normal until the mass behind it matched the material volume fraction for the cell in question. But for distorted or nonorthogonal meshes, the gradient normal estimate didn`t accurately match that of linear material interfaces. Moreover, curved material interfaces were also poorly represented. The authors will present some recent work in the computation of more accurate interface normals, without necessarily increasing stencil size. Their estimate of the normal is made using an iterative process that, given mass fractions for nearby cells of known but arbitrary variable density, converges in 3 or 4 passes in practice (and quadratically--like Newton`s method--in principle). The method reproduces a linear interface in both orthogonal and nonorthogonal meshes. The local linear approximation is generally 2nd-order accurate, with a 1st-order accurate normal for curved interfaces in both two and three dimensional polyhedral meshes. Recent work demonstrating the interface reconstruction for curved surfaces will /be discussed.« less

A straightforward method for measuring the range of apparent density of microplastics.

PubMed

Li, Lingyun; Li, Mengmeng; Deng, Hua; Cai, Li; Cai, Huiwen; Yan, Beizhan; Hu, Jun; Shi, Huahong

2018-10-15

Density of microplastics has been regarded as the primary property that affect the distribution and bioavailability of microplastics in the water column. For measuring the density of microplastis, we developed a simple and rapid method based on density gradient solutions. In this study, we tested four solvents to make the density gradient solutions, i.e., ethanol (0.8 g/cm 3 ), ultrapure water (1.0 g/cm 3 ), saturated NaI (1.8 g/cm 3 ) and ZnCl 2 (1.8 g/cm 3 ). Density of microplastics was measured via observing the float or sink status in the density gradient solutions. We found that density gradient solutions made from ZnCl 2 had a larger uncertainty in measuring density than that from NaI, most likely due to a higher surface tension of ZnCl 2 solution. Solutions made from ethanol, ultrapure water, and NaI showed consistent density results with listed densities of commercial products, indicating that these density gradient solutions were suitable for measuring microplastics with a density range of 0.8-1.8 g/cm 3 . Copyright © 2018 Elsevier B.V. All rights reserved.

Lattice dynamics of Ru2FeX (X = Si, Ge) Full Heusler alloys

NASA Astrophysics Data System (ADS)

Rizwan, M.; Afaq, A.; Aneeza, A.

2018-05-01

In present work, the lattice dynamics of Ru2FeX (X = Si, Ge) full Heusler alloys are investigated using density functional theory (DFT) within generalized gradient approximation (GGA) in a plane wave basis, with norm-conserving pseudopotentials. Phonon dispersion curves and phonon density of states are obtained using first-principles linear response approach of density functional perturbation theory (DFPT) as implemented in Quantum ESPRESSO code. Phonon dispersion curves indicates for both Heusler alloys that there is no imaginary phonon in whole Brillouin zone, confirming dynamical stability of these alloys in L21 type structure. There is a considerable overlapping between acoustic and optical phonon modes predicting no phonon band gap exists in dispersion curves of alloys. The same result is shown by phonon density of states curves for both Heusler alloys. Reststrahlen band for Ru2FeSi is found smaller than Ru2FeGe.

DFT-BASED AB INITIO STUDY OF THE ELECTRONIC AND OPTICAL PROPERTIES OF CESIUM BASED FLUORO-PEROVSKITE CsMF3 (M = Ca AND Sr)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, M.; Khenata, R.; Baki, N.; Haddou, A.; Abbar, B.; UǦUR, Ş.; Omran, S. Bin; Soyalp, F.

2012-12-01

Density functional theory (DFT) is performed to study the structural, electronic and optical properties of cubic fluoroperovskite AMF3 (A = Cs; M = Ca and Sr) compounds. The calculations are based on the total-energy calculations within the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange-correlation potential is treated by local density approximation (LDA) and generalized gradient approximation (GGA). The structural properties, including lattice constants, bulk modulus and their pressure derivatives are in very good agreement with the available experimental and theoretical data. The calculations of the electronic band structure, density of states and charge density reveal that compounds are both ionic insulators. The optical properties (namely: the real and the imaginary parts of the dielectric function ɛ(ω), the refractive index n(ω) and the extinction coefficient k(ω)) were calculated for radiation up to 40.0 eV.

Raman imaging of carrier distribution in the channel of an ionic liquid-gated transistor fabricated with regioregular poly(3-hexylthiophene)

NASA Astrophysics Data System (ADS)

Wada, Y.; Enokida, I.; Yamamoto, J.; Furukawa, Y.

2018-05-01

Raman images of carriers (positive polarons) at the channel of an ionic liquid-gated transistor (ILGT) fabricated with regioregular poly(3-hexylthiophene) (P3HT) have been measured with excitation at 785 nm. The observed spectra indicate that carriers generated are positive polarons. The intensities of the 1415 cm-1 band attributed to polarons in the P3HT channel were plotted as Raman images; they showed the carrier density distribution. When the source-drain voltage VD is lower than the source-gate voltage VG (linear region), the carrier density was uniform. When VD is nearly equal to VG (saturation region), a negative carrier density gradient from the source electrode towards the drain electrode was observed. This carrier density distribution is associated with the observed current-voltage characteristics, which is not consistent with the "pinch-off" theory of inorganic semiconductor transistors.

An Initial Investigation of Ionospheric Gradients for Detection of Ionospheric Disturbances over Turkey

NASA Astrophysics Data System (ADS)

Koroglu, Meltem; Arikan, Feza; Koroglu, Ozan

2015-04-01

Ionosphere is an ionized layer of earth's atmosphere which affect the propagation of radio signals due to highly varying electron density structure. Total Electron Content (TEC) and Slant Total Electron Content (STEC) are convenient measures of total electron density along a ray path. STEC model is given by the line integral of the electron density between the receiver and GPS satellite. TEC and STEC can be estimated by observing the difference between the two GPS signal time delays that have different frequencies L1 (1575 MHz) and L2 (1227 MHz). During extreme ionospheric storms ionospheric gradients becomes larger than those of quiet days since time delays of the radio signals becomes anomalous. Ionosphere gradients can be modeled as a linear semi-infinite wave front with constant propagation speed. One way of computing the ionospheric gradients is to compare the STEC values estimated between two neighbouring GPS stations. In this so-called station-pair method, ionospheric gradients are defined by dividing the difference of the time delays of two receivers, that see the same satellite at the same time period. In this study, ionospheric gradients over Turkey are computed using the Turkish National Permanent GPS Network (TNPGN-Active) between May 2009 and September 2012. The GPS receivers are paired in east-west and north-south directions with distances less than 150 km. GPS-STEC for each station are calculated using IONOLAB-TEC and IONOLAB-BIAS softwares (www.ionolab.org). Ionospheric delays are calculated for each paired station for both L1 and L2 frequencies and for each satellite in view with 30 s time resolution. During the investigation period, different types of geomagnetic storms, Travelling Ionospheric Disturbances (TID), Sudden Ionospheric Disturbances (SID) and various earthquakes with magnitudes between 3 to 7.4 have occured. Significant variations in the structure of station-pair gradients have been observed depending on location of station-pairs, the path of the satellites, strength of the geomagnetic storms and type, depth and magnitude of the earthquakes. For a typical geomagnetic storm the gradients can get as high as 30 mm/km. For the earthquakes, both the magnitude and the structure of the ionospheric delay gradients exhibit strong variability. This study forms a basis for a comprehensive understanding of ionospheric variability for midlatitude GBAS and SBAS systems. This study is supported by a joint grant of TUBITAK 112E568 and RFBR 13-02-91370-CT_a.

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

Verma, U. P.; Nayak, V.

Quantum mechanical first principle calculations have been performed to study the electronic and structural properties of TiN and TiAs in zinc blende (ZB) and rock salt (RS) structures. The full-potential linearized augmented plane wave (FP-LAPW) method has been used within the framework of density functional theory (DFT). The exchange correlation functional has been solved employing generalized gradient approximation (GGA). Our predicted results for lattice constants are in good agreement with the earlier findings. The electronic band structures of TiX are metallic in both the phases.

A penalized linear and nonlinear combined conjugate gradient method for the reconstruction of fluorescence molecular tomography.

PubMed

Shang, Shang; Bai, Jing; Song, Xiaolei; Wang, Hongkai; Lau, Jaclyn

2007-01-01

Conjugate gradient method is verified to be efficient for nonlinear optimization problems of large-dimension data. In this paper, a penalized linear and nonlinear combined conjugate gradient method for the reconstruction of fluorescence molecular tomography (FMT) is presented. The algorithm combines the linear conjugate gradient method and the nonlinear conjugate gradient method together based on a restart strategy, in order to take advantage of the two kinds of conjugate gradient methods and compensate for the disadvantages. A quadratic penalty method is adopted to gain a nonnegative constraint and reduce the illposedness of the problem. Simulation studies show that the presented algorithm is accurate, stable, and fast. It has a better performance than the conventional conjugate gradient-based reconstruction algorithms. It offers an effective approach to reconstruct fluorochrome information for FMT.

Stationary-phase optimized selectivity liquid chromatography: development of a linear gradient prediction algorithm.

PubMed

De Beer, Maarten; Lynen, Fréderic; Chen, Kai; Ferguson, Paul; Hanna-Brown, Melissa; Sandra, Pat

2010-03-01

Stationary-phase optimized selectivity liquid chromatography (SOS-LC) is a tool in reversed-phase LC (RP-LC) to optimize the selectivity for a given separation by combining stationary phases in a multisegment column. The presently (commercially) available SOS-LC optimization procedure and algorithm are only applicable to isocratic analyses. Step gradient SOS-LC has been developed, but this is still not very elegant for the analysis of complex mixtures composed of components covering a broad hydrophobicity range. A linear gradient prediction algorithm has been developed allowing one to apply SOS-LC as a generic RP-LC optimization method. The algorithm allows operation in isocratic, stepwise, and linear gradient run modes. The features of SOS-LC in the linear gradient mode are demonstrated by means of a mixture of 13 steroids, whereby baseline separation is predicted and experimentally demonstrated.

Effect of Thermal Gradient on Vibration of Non-uniform Visco-elastic Rectangular Plate

NASA Astrophysics Data System (ADS)

Khanna, Anupam; Kaur, Narinder

2016-04-01

Here, a theoretical model is presented to analyze the effect of bilinear temperature variations on vibration of non-homogeneous visco-elastic rectangular plate with non-uniform thickness. Non-uniformity in thickness of the plate is assumed linear in one direction. Since plate's material is considered as non-homogeneous, authors characterized non-homogeneity in poisson ratio and density of the plate's material exponentially in x-direction. Plate is supposed to be clamped at the ends. Deflection for first two modes of vibration is calculated by using Rayleigh-Ritz technique and tabulated for various values of plate's parameters i.e. taper constant, aspect ratio, non-homogeneity constants and thermal gradient. Comparison of present findings with existing literature is also provided in tabular and graphical manner.

The Trails of Superluminal Jet Components in 3C 111

NASA Technical Reports Server (NTRS)

Kadler, M.; Ros, E.; Perucho, M.; Kovalev, Y. Y.; Homan, D. C.; Agudo, I.; Kellermann, K. I.; Aller, M. F.; Aller, H. D.; Lister, M. L.;

Microturbulence studies of pulsed poloidal current drive discharges in the reversed field pinch

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

Carmody, D., E-mail: dcarmody@wisc.edu; Pueschel, M. J.; Anderson, J. K.

2015-01-15

Experimental discharges with pulsed poloidal current drive (PPCD) in the Madison Symmetric Torus reversed field pinch are investigated using a semi-analytic equilibrium model in the gyrokinetic turbulence code GENE. PPCD cases, with plasma currents of 500 kA and 200 kA, exhibit a density-gradient-driven trapped electron mode (TEM) and an ion temperature gradient mode, respectively. Relative to expectations of tokamak core plasmas, the critical gradients for the onset of these instabilities are found to be greater by roughly a factor of the aspect ratio. A significant upshift in the nonlinear TEM transport threshold, previously found for tokamaks, is confirmed in nonlinear reversed fieldmore » pinch simulations and is roughly three times the threshold for linear instability. The simulated heat fluxes can be brought in agreement with measured diffusivities by introducing a small, resonant magnetic perturbation, thus modeling the residual fluctuations from tearing modes. These fluctuations significantly enhance transport.« less

The ab initio Calculation of Electric Field Gradient at the Site of P Impurity in α-Al3O2

NASA Astrophysics Data System (ADS)

Zhang, Qiao-Li; Yuan, Da-Qing; Zhang, Huan-Qiao; Fan, Ping; Zuo, Yi; Zheng, Yong-Nan; Masuta, K.; Fukuda, M.; Mihara, M.; Minamisono, T.; Kitagawa, A.; Zhu, Sheng-Yun

2012-09-01

An ab initio calculation of the electric-field gradient (EFG) at the site of a phosphorous impurity substituting an Al atom in α-Al2O3 is carried out using the WIEN2k code with the full-potential linearized augmented plane wave plus local orbital method (LAPW+lo) in the frame of density functional theory. The atomic lattice relaxations caused by the implanted impurities were calculated for two different charged states to well describe the electronic structure of the doped system. The EFG at the site of the phosphorous impurity in the charged supercell calculated with the exchange-correlation potential of the Wu-Cohen generalized gradient approximation (WC-GGA) is 0.573 × 1021 V/m2. Then, the nuclear quadrupole moment of the I = 3 state in 28P is deduced to be 137 mb from the quadrupole interaction frequency of 190 kHz measured recently by the β-NQR method.

Ionosphere Threat Model Investigations by Using Turkish National Permanent GPS Network

NASA Astrophysics Data System (ADS)

Köroǧlu, Meltem; Arikan, Feza; Koroglu, Ozan

2016-07-01

Global Positioning System (GPS) signal realibity may decrease significantly due to the variable electron density structure of ionosphere. In the literature, ionospheric disturbance is modeled as a linear semi-definite wave which has width, gradient and a constant velocity. To provide precise positioning, Ground Based Augmentation Systems (GBAS) are used. GBAS collects all measurements from GPS network receivers and computes an integrity level for the measurement by comparing the network GPS receivers measurements with the threat models of ionosphere. Threat models are computed according to ionosphere gradient characteristics. Gradient is defined as the difference of slant delays between the receivers. Slant delays are estimated from the STEC (Slant Total Electron Content) values of the ionosphere that is given by the line integral of the electron density between the receiver and GPS satellite. STEC can be estimated over Global Navigation Satellite System (GNSS) signals by using IONOLAB-STEC and IONOLAB-BIAS algorithms. Since most of the ionospheric disturbance observed locally, threat models for the GBAS systems must be extracted as locally. In this study, an automated ionosphere gradient estimation algorithm was developed by using Turkish National Permanent GPS Network (TNPGN-Active) data for year 2011. The GPS receivers are grouped within 150 km radius. For each region, for each day and for each satellite all STEC values are estimated by using IONOLAB-STEC and IONOLAB-BIAS softwares (www.ionolab.org). In the gradient estimation, station-pair method is used. Statistical properties of the valid gradients are extracted as tables for each region, day and satellite. By observing the histograms of the maximum gradients and standard deviations of the gradients with respect to the elevation angle for each day, the anomalies and disturbances of the ionosphere can be detected. It is observed that, maximum gradient estimates are less than 40 mm/km and maximum standard deviation of the gradients are observed as 5 mm/km. In the stormy days, the level of gradients and the standard deviation values becomes larger than those of quiet days. These observations may also form a basis for the estimationof velocity and width of the traveling ionospheric disturbances. The study is supported by TUBITAK 115E915 and Joint TUBITAK 114E092 and AS CR14/001 projects.

Association of the Bacillus subtilis Chromosome with the Cell Membrane: Resolution of Free and Bound Deoxyribonucleic Acid on Renografin Gradients

PubMed Central

Ivarie, Robert D.; Pène, Jacques J.

1970-01-01

Linear density gradients of Renografin have resolved two components of bacterial deoxyribonucleic acid (DNA) in sheared lysates. Component 1, at equilibrium density after 5 hr of centrifugation, is enriched for newly synthesized DNA and markers near the origin and terminus of replication. It contains 5% of total cellular protein, 25% of the phospholipids, 30 to 50% of the DNA, 4 to 11% of unstable ribonucleic acid (RNA), RNA polymerase, and low amounts of DNA polymerase. The material is sensitive to Pronase and Sarkosyl. In unsheared lysates, all of the DNA forms a band at this position. Shearing the lysate generates a slow-sedimenting fraction of DNA (component 2) which contains more uniformly labeled than newly synthesized DNA. These observations suggest that replicating DNA and DNA at the origin and possibly the terminus of replication are associated with membrane. The amount of uniformly labeled DNA in component 1 and an estimate of the number of chromosomal fragments suggest that other parts of the chromosome are possibly associated with the membrane. PMID:4992373

A modified gradient approach for the growth of low-density InAs quantum dot molecules by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Sharma, Nandlal; Reuter, Dirk

2017-11-01

Two vertically stacked quantum dots that are electronically coupled, so called quantum dot molecules, are of great interest for the realization of solid state building blocks for quantum communication networks. We present a modified gradient approach to realize InAs quantum dot molecules with a low areal density so that single quantum dot molecules can be optically addressed. The individual quantum dot layers were prepared by solid source molecular beam epitaxy depositing InAs on GaAs(100). The bottom quantum dot layer has been grown without substrate rotation resulting in an In-gradient across the surface, which translated into a density gradient with low quantum dot density in a certain region of the wafer. For the top quantum dot layer, separated from the bottom quantum dot layer by a 6 nm thick GaAs barrier, various InAs amounts were deposited without an In-gradient. In spite of the absence of an In-gradient, a pronounced density gradient is observed for the top quantum dots. Even for an In-amount slightly below the critical thickness for a single dot layer, a density gradient in the top quantum dot layer, which seems to reproduce the density gradient in the bottom layer, is observed. For more or less In, respectively, deviations from this behavior occur. We suggest that the obvious influence of the bottom quantum dot layer on the growth of the top quantum dots is due to the strain field induced by the buried dots.

Preliminary Isostatic Gravity Map of Joshua Tree National Park and Vicinity, Southern California

USGS Publications Warehouse

Langenheim, V.E.; Biehler, Shawn; McPhee, D.K.; McCabe, C.A.; Watt, J.T.; Anderson, M.L.; Chuchel, B.A.; Stoffer, P.

2007-01-01

This isostatic residual gravity map is part of an effort to map the three-dimensional distribution of rocks in Joshua Tree National Park, southern California. This map will serve as a basis for modeling the shape of basins beneath the Park and in adjacent valleys and also for determining the location and geometry of faults within the area. Local spatial variations in the Earth's gravity field, after accounting for variations caused by elevation, terrain, and deep crustal structure, reflect the distribution of densities in the mid- to upper crust. Densities often can be related to rock type, and abrupt spatial changes in density commonly mark lithologic or structural boundaries. High-density basement rocks exposed within the Eastern Transverse Ranges include crystalline rocks that range in age from Proterozoic to Mesozoic and these rocks are generally present in the mountainous areas of the quadrangle. Alluvial sediments, usually located in the valleys, and Tertiary sedimentary rocks are characterized by low densities. However, with increasing depth of burial and age, the densities of these rocks may become indistinguishable from those of basement rocks. Tertiary volcanic rocks are characterized by a wide range of densities, but, on average, are less dense than the pre-Cenozoic basement rocks. Basalt within the Park is as dense as crystalline basement, but is generally thin (less than 100 m thick; e.g., Powell, 2003). Isostatic residual gravity values within the map area range from about 44 mGal over Coachella Valley to about 8 mGal between the Mecca Hills and the Orocopia Mountains. Steep linear gravity gradients are coincident with the traces of several Quaternary strike-slip faults, most notably along the San Andreas Fault bounding the east side of Coachella Valley and east-west-striking, left-lateral faults, such as the Pinto Mountain, Blue Cut, and Chiriaco Faults (Fig. 1). Gravity gradients also define concealed basin-bounding faults, such as those beneath the Chuckwalla Valley (e.g. Rotstein and others, 1976). These gradients result from juxtaposing dense basement rocks against thick Cenozoic sedimentary rocks.

Engineering zonal cartilage through bioprinting collagen type II hydrogel constructs with biomimetic chondrocyte density gradient.

PubMed

Ren, Xiang; Wang, Fuyou; Chen, Cheng; Gong, Xiaoyuan; Yin, Li; Yang, Liu

2016-07-20

Cartilage tissue engineering is a promising approach for repairing and regenerating cartilage tissue. To date, attempts have been made to construct zonal cartilage that mimics the cartilaginous matrix in different zones. However, little attention has been paid to the chondrocyte density gradient within the articular cartilage. We hypothesized that the chondrocyte density gradient plays an important role in forming the zonal distribution of extracellular matrix (ECM). In this study, collagen type II hydrogel/chondrocyte constructs were fabricated using a bioprinter. Three groups were created according to the total cell seeding density in collagen type II pre-gel: Group A, 2 × 10(7) cells/mL; Group B, 1 × 10(7) cells/mL; and Group C, 0.5 × 10(7) cells/mL. Each group included two types of construct: one with a biomimetic chondrocyte density gradient and the other with a single cell density. The constructs were cultured in vitro and harvested at 0, 1, 2, and 3 weeks for cell viability testing, reverse-transcription quantitative PCR (RT-qPCR), biochemical assays, and histological analysis. We found that total ECM production was positively correlated with the total cell density in the early culture stage, that the cell density gradient distribution resulted in a gradient distribution of ECM, and that the chondrocytes' biosynthetic ability was affected by both the total cell density and the cell distribution pattern. Our results suggested that zonal engineered cartilage could be fabricated by bioprinting collagen type II hydrogel constructs with a biomimetic cell density gradient. Both the total cell density and the cell distribution pattern should be optimized to achieve synergistic biological effects.

In vitro cell-mediated immunity after thermal injury is not impaired. Density gradient purification of mononuclear cells is associated with spurious (artifactual) immunosuppression.

PubMed Central

Xu, D Z; Deitch, E A; Sittig, K; Qi, L; McDonald, J C

1988-01-01

Mononuclear cells isolated by density gradient centrifugation from the peripheral blood of burn patients, but not healthy volunteers, are contaminated with large numbers of nonmononuclear cells. These contaminating leukocytes could cause artifactual alterations in standard in vitro tests of lymphocyte function. Thus, we compared the in vitro blastogenic response of density gradient purified leukocytes and T-cell purified lymphocytes from 13 burn patients to mitogenic (PHA) and antigenic stimuli. The mitogenic and antigenic response of the patients' density gradient purified leukocytes were impaired compared to healthy volunteers (p less than 0.01). However, when the contaminating nonlymphocytes were removed, the patients' cells responded normally to both stimuli. Thus, density gradient purified mononuclear cells from burn patients are contaminated by leukocytes that are not phenotypically or functionally lymphocytes. Since the lymphocytes from burn patients respond normally to PHA and alloantigens after the contaminating nonlymphocyte cell population has been removed, it appears that in vitro assays of lymphocyte function using density gradient purified leukocytes may give spurious results. PMID:2973771

Optimization of neural network architecture for classification of radar jamming FM signals

NASA Astrophysics Data System (ADS)

Soto, Alberto; Mendoza, Ariadna; Flores, Benjamin C.

2017-05-01

The purpose of this study is to investigate several artificial Neural Network (NN) architectures in order to design a cognitive radar system capable of optimally distinguishing linear Frequency-Modulated (FM) signals from bandlimited Additive White Gaussian Noise (AWGN). The goal is to create a theoretical framework to determine an optimal NN architecture to achieve a Probability of Detection (PD) of 95% or higher and a Probability of False Alarm (PFA) of 1.5% or lower at 5 dB Signal to Noise Ratio (SNR). Literature research reveals that the frequency-domain power spectral densities characterize a signal more efficiently than its time-domain counterparts. Therefore, the input data is preprocessed by calculating the magnitude square of the Discrete Fourier Transform of the digitally sampled bandlimited AWGN and linear FM signals to populate a matrix containing N number of samples and M number of spectra. This matrix is used as input for the NN, and the spectra are divided as follows: 70% for training, 15% for validation, and 15% for testing. The study begins by experimentally deducing the optimal number of hidden neurons (1-40 neurons), then the optimal number of hidden layers (1-5 layers), and lastly, the most efficient learning algorithm. The training algorithms examined are: Resilient Backpropagation, Scaled Conjugate Gradient, Conjugate Gradient with Powell/Beale Restarts, Polak-Ribiére Conjugate Gradient, and Variable Learning Rate Backpropagation. We determine that an architecture with ten hidden neurons (or higher), one hidden layer, and a Scaled Conjugate Gradient for training algorithm encapsulates an optimal architecture for our application.

Fractional Gaussian model in global optimization

NASA Astrophysics Data System (ADS)

Dimri, V. P.; Srivastava, R. P.

2009-12-01

Earth system is inherently non-linear and it can be characterized well if we incorporate no-linearity in the formulation and solution of the problem. General tool often used for characterization of the earth system is inversion. Traditionally inverse problems are solved using least-square based inversion by linearizing the formulation. The initial model in such inversion schemes is often assumed to follow posterior Gaussian probability distribution. It is now well established that most of the physical properties of the earth follow power law (fractal distribution). Thus, the selection of initial model based on power law probability distribution will provide more realistic solution. We present a new method which can draw samples of posterior probability density function very efficiently using fractal based statistics. The application of the method has been demonstrated to invert band limited seismic data with well control. We used fractal based probability density function which uses mean, variance and Hurst coefficient of the model space to draw initial model. Further this initial model is used in global optimization inversion scheme. Inversion results using initial models generated by our method gives high resolution estimates of the model parameters than the hitherto used gradient based liner inversion method.

Virus purification by CsCl density gradient using general centrifugation.

PubMed

Nasukawa, Tadahiro; Uchiyama, Jumpei; Taharaguchi, Satoshi; Ota, Sumire; Ujihara, Takako; Matsuzaki, Shigenobu; Murakami, Hironobu; Mizukami, Keijirou; Sakaguchi, Masahiro

2017-11-01

Virus purification by cesium chloride (CsCl) density gradient, which generally requires an expensive ultracentrifuge, is an essential technique in virology. Here, we optimized virus purification by CsCl density gradient using general centrifugation (40,000 × g, 2 h, 4 °C), which showed almost the same purification ability as conventional CsCl density gradient ultracentrifugation (100,000 × g, 1 h, 4 °C) using phages S13' and φEF24C. Moreover, adenovirus strain JM1/1 was also successfully purified by this method. We suggest that general centrifugation can become a less costly alternative to ultracentrifugation for virus purification by CsCl densiy gradient and will thus encourage research in virology.

Simultaneous use of camera and probe diagnostics to unambiguously identify and study the dynamics of multiple underlying instabilities during the route to plasma turbulence.

PubMed

Thakur, S C; Brandt, C; Light, A; Cui, L; Gosselin, J J; Tynan, G R

2014-11-01

We use multiple-tip Langmuir probes and fast imaging to unambiguously identify and study the dynamics of underlying instabilities during the controlled route to fully-developed plasma turbulence in a linear magnetized helicon plasma device. Langmuir probes measure radial profiles of electron temperature, plasma density and potential; from which we compute linear growth rates of instabilities, cross-phase between density and potential fluctuations, Reynold's stress, particle flux, vorticity, time-delay estimated velocity, etc. Fast imaging complements the 1D probe measurements by providing temporally and spatially resolved 2D details of plasma structures associated with the instabilities. We find that three radially separated plasma instabilities exist simultaneously. Density gradient driven resistive drift waves propagating in the electron diamagnetic drift direction separate the plasma into an edge region dominated by strong, velocity shear driven Kelvin-Helmholtz instabilities and a central core region which shows coherent Rayleigh-Taylor modes propagating in the ion diamagnetic drift direction. The simultaneous, complementary use of both probes and camera was crucial to identify the instabilities and understand the details of the very rich plasma dynamics.

Local gyrokinetic study of electrostatic microinstabilities in dipole plasmas

NASA Astrophysics Data System (ADS)

Xie, Hua-sheng; Zhang, Yi; Huang, Zi-cong; Ou, Wei-ke; Li, Bo

2017-12-01

A linear gyrokinetic particle-in-cell scheme, which is valid for an arbitrary perpendicular wavelength k⊥ρi and includes the parallel dynamic along the field line, is developed to study the local electrostatic drift modes in point and ring dipole plasmas. We find that the most unstable mode in this system can be either the electron mode or the ion mode. The properties and relations of these modes are studied in detail as a function of k⊥ρi , the density gradient κn, the temperature gradient κT, electron to ion temperature ratio τ=Te/Ti , and mass ratio mi/me . For conventional weak gradient parameters, the mode is on the ground state (with eigenstate number l = 0) and especially k∥˜0 for small k⊥ρi . Thus, the bounce averaged dispersion relation is also derived for comparison. For strong gradient and large k⊥ρi , most interestingly, higher order eigenstate modes with even (e.g., l = 2, 4) or odd (e.g., l = 1) parity can be most unstable, which is not expected in the previous studies. High order eigenstate can also easily be most unstable at weak gradient when τ>10 . This work can be particularly important to understand the turbulent transport in laboratory and space magnetosphere.

Explaining significant differences in subjective and objective measures of cardiovascular health: evidence for the socioeconomic gradient in a population-based study

PubMed Central

2013-01-01

Background To assess prevalence rates of subjective and objective reports of two cardiovascular disorders (hypertension and hypercholesterolemia) for the same subset of respondents in a large-scale study. To determine whether and the extent to which the socioeconomic health gradient differed in the subjective and objective reports of the two cardiovascular disorders. Methods Data from the first wave (2009/2011) of The Irish Longitudinal Study on Ageing were used (n = 4,179). This is a nationally representative study of community-dwelling adults aged 50+ residing in Ireland. Subjective measures were derived from self-reports of doctor-diagnosed hypertension and high cholesterol. Objective measure of hypertension was defined as: systolic blood pressure ≥140 mm Hg and/or diastolic blood pressure ≥90 mm Hg and/or on antihypertensive medication. Objective measure of hypercholesterolemia was defined as: total cholesterol ≥5.2 mmol/L and/or on cholesterol-lowering medication. Objective measures of low-density-lipoprotein cholesterol and high-density-lipoprotein cholesterol were also used. Two measures of socioeconomic gradient were employed: education and wealth. Binary and multinomial logistic and linear regression analyses were used. Analyses were adjusted for an extensive battery of covariates, including demographics and measures of physical/behavioural health and health care utilization. Results Prevalence of cardiovascular disorders: prevalence of hypertension and hypercholesterolemia was significantly higher when the cardiovascular disorders were measured objectively as compared to self-reports (64% and 72.1% versus 37% and 41.1%, respectively). Socioeconomic gradient in hypertension: the odds of being objectively hypertensive were significantly lower for individuals with tertiary/higher education (OR, 0.74; 95% CI, 0.60-0.92) and in the highest tertile of the wealth distribution (OR, 0.77; 95% CI, 0.62-0.95). In contrast, the associations between socioeconomic status and self-reported hypertension were not statistically significant. Socioeconomic gradient in hypercholesterolemia: wealthier individuals had higher odds of self-reporting elevated cholesterol (OR, 1.28; 95% CI, 1.03-1.58). Associations between socioeconomic status and objectively measured hypercholesterolemia and low-density-lipoprotein cholesterol were not significant. Higher education and, to a lesser extent, greater wealth were associated with higher levels of high-density-lipoprotein cholesterol. Conclusions Clear discrepancies in prevalence rates and gradients by socioeconomic status were found between subjective and objective reports of both disorders. This emphasizes the importance of objective measures when collecting population data. PMID:24119371

Linear solvation energy relationships in normal phase chromatography based on gradient separations.

PubMed

Wu, Di; Lucy, Charles A

2017-09-22

Coupling the modified Soczewiñski model and one gradient run, a gradient method was developed to build a linear solvation energy relationship (LSER) for normal phase chromatography. The gradient method was tested on dinitroanilinopropyl (DNAP) and silica columns with hexane/dichloromethane (DCM) mobile phases. LSER models built based on the gradient separation agree with those derived from a series of isocratic separations. Both models have similar LSER coefficients and comparable goodness of fit, but the LSER model based on gradient separation required fewer trial and error experiments. Copyright © 2017 Elsevier B.V. All rights reserved.

A feasible DY conjugate gradient method for linear equality constraints

NASA Astrophysics Data System (ADS)

LI, Can

2017-09-01

In this paper, we propose a feasible conjugate gradient method for solving linear equality constrained optimization problem. The method is an extension of the Dai-Yuan conjugate gradient method proposed by Dai and Yuan to linear equality constrained optimization problem. It can be applied to solve large linear equality constrained problem due to lower storage requirement. An attractive property of the method is that the generated direction is always feasible and descent direction. Under mild conditions, the global convergence of the proposed method with exact line search is established. Numerical experiments are also given which show the efficiency of the method.

Formation of Linear Gradient of Antibiotics on Microfluidic Chips for High-throughput Antibiotic Susceptibility Testing

NASA Astrophysics Data System (ADS)

Kim, Seunggyu; Lee, Seokhun; Jeon, Jessie S.

2017-11-01

To determine the most effective antimicrobial treatments of infectious pathogen, high-throughput antibiotic susceptibility test (AST) is critically required. However, the conventional AST requires at least 16 hours to reach the minimum observable population. Therefore, we developed a microfluidic system that allows maintenance of linear antibiotic concentration and measurement of local bacterial density. Based on the Stokes-Einstein equation, the flow rate in the microchannel was optimized so that linearization was achieved within 10 minutes, taking into account the diffusion coefficient of each antibiotic in the agar gel. As a result, the minimum inhibitory concentration (MIC) of each antibiotic against P. aeruginosa could be immediately determined 6 hours after treatment of the linear antibiotic concentration. In conclusion, our system proved the efficacy of a high-throughput AST platform through MIC comparison with Clinical and Laboratory Standards Institute (CLSI) range of antibiotics. This work was supported by the Climate Change Research Hub (Grant No. N11170060) of the KAIST and by the Brain Korea 21 Plus project.

Use of Total Electron Content data to analyze ionosphere electron density gradients

NASA Astrophysics Data System (ADS)

Nava, B.; Radicella, S. M.; Leitinger, R.; Coisson, P.

In presence of electron density gradients the thin shell approximation for the ionosphere used together with a simple mapping function to convert slant Total Electron Content TEC to vertical TEC could lead to TEC conversion errors Therefore these mapping function errors can be used to identify the effects of the electron density gradients in the ionosphere In the present work high precision GPS derived slant TEC data have been used to investigate the effects of the electron density gradients in the middle and low latitude ionosphere under geomagnetic quiet and disturbed conditions In particular the data corresponding to the geographic area of the American sector for the days 5-7 April 2000 have been used to perform a complete analysis of mapping function errors based on the coinciding pierce point technique The results clearly illustrate the electron density gradient effects according to the locations considered and to the actual levels of disturbance of the ionosphere

Density gradient free electron collisionally excited x-ray laser

DOEpatents

Campbell, E.M.; Rosen, M.D.

1984-11-29

An operational x-ray laser is provided that amplifies 3p-3s transition x-ray radiation along an approximately linear path. The x-ray laser is driven by a high power optical laser. The driving line focused optical laser beam illuminates a free-standing thin foil that may be associated with a substrate for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the x-ray laser gain medium. The x-ray laser may be driven by more than one optical laser beam. The x-ray laser has been successfully demonstrated to function in a series of experimental tests.

AB INITIO STUDY OF PHONON DISPERSION AND ELASTIC PROPERTIES OF L12 INTERMETALLICS Ti3Al AND Y3Al

NASA Astrophysics Data System (ADS)

Arikan, N.; Ersen, M.; Ocak, H. Y.; Iyigör, A.; Candan, A.; UǦUR, Ş.; UǦUR, G.; Khenata, R.; Varshney, D.

2013-12-01

In this paper, the structural, elastic and phonon properties of Ti3Al and Y3Al in L12(Cu3Al) phase are studied by performing first-principles calculations within the generalized gradient approximation. The calculated lattice constants, static bulk moduli, first-order pressure derivative of bulk moduli and elastic constants for both compounds are reported. The phonon dispersion curves along several high-symmetry lines at the Brillouin zone, together with the corresponding phonon density of states, are determined using the first-principles linear-response approach of the density functional perturbation theory. Temperature variations of specific heat in the range of 0-500 K are obtained using the quasi-harmonic model.

Structural, Electronic and Elastic Properties of Half-Heusler Alloys CrNiZ (Z = Al, Si, Ge and As)

NASA Astrophysics Data System (ADS)

Zitouni, A.; Benstaali, W.; Abbad, A.; Lantri, T.; Bouadjemi, B.; Aziz, Z.

2018-06-01

In the present work, a self-consistent ab-initio calculation using the full- potential linearized augmented plane wave (FP-LAPW) method within the framework of the spin-polarized density functional theory (DFT) was used to study the structural, electronic, magnetic and elastic properties of the half Heusler alloys CrNiZ (Z = Al, Si, Ge and As) in three phases ( α, β and γ phases). The generalized gradient approximation (GGA) described by Perdew-Burke-Ernzerhof (PBE) was used. The results obtained for the spin-polarized band structure and the density of states show a halfmetallic behavior for the four compounds. The elastic constants ( C ij ) show that our compounds are ductile, stiff and anisotropic.

First-row diatomics: Calculation of the geometry and energetics using self-consistent gradient-functional approximations

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

Kutzler, F.W.; Painter, G.S.

1992-02-15

A fully self-consistent series of nonlocal (gradient) density-functional calculations has been carried out using the augmented-Gaussian-orbital method to determine the magnitude of gradient corrections to the potential-energy curves of the first-row diatomics, Li{sub 2} through F{sub 2}. Both the Langreth-Mehl-Hu and the Perdew-Wang gradient-density functionals were used in calculations of the binding energy, bond length, and vibrational frequency for each dimer. Comparison with results obtained in the local-spin-density approximation (LSDA) using the Vosko-Wilk-Nusair functional, and with experiment, reveals that bond lengths and vibrational frequencies are rather insensitive to details of the gradient functionals, including self-consistency effects, but the gradient correctionsmore » reduce the overbinding commonly observed in the LSDA calculations of first-row diatomics (with the exception of Li{sub 2}, the gradient-functional binding-energy error is only 50--12 % of the LSDA error). The improved binding energies result from a large differential energy lowering, which occurs in open-shell atoms relative to the diatomics. The stabilization of the atom arises from the use of nonspherical charge and spin densities in the gradient-functional calculations. This stabilization is negligibly small in LSDA calculations performed with nonspherical densities.« less

Extent of partial melting beneath the Cascade Range, Oregon: Constraints from gravity anomalies and ideal-body theory

NASA Astrophysics Data System (ADS)

Blakely, Richard J.

1994-02-01

The spatial correlation between a horizontal gradient in heat flow and a horizontal gradient in residual gravity in the Western Cascades of central Oregon has been interpreted by others as evidence of the western edge of a pervasive zone of high temperatures and partial melting at midcrustal depths (5-15 km). Both gradients are steep and relatively linear over north-south distances in excess of 150 km. The Western Cascades gravity gradient is the western margin of a broad gravity depression over most of the Oregon Cascade Range, implying that the midcrustal zone of anomalous temperatures lies throughout this region. Ideal-body theory applied to the gravity gradient, however, shows that the source of the Western Cascades gravity gradient cannot be deeper than about 2.5 km and is considerably shallower in some locations. These calculations are unique determinations, assuming that density contrasts associated with partial melting and elevated temperatures in the crust do not exceed 500 kg/cu m. Consequently, the gravity gradient and the heat flow gradient in the Western Cascades cannot be caused directly by the same source if the heat flow gradient originates at midcrustal depths. This conclusion in itself does not disprove the existence of a widespread midcrustal zone of anomalously high temperatures and partial melting in this area, but it does eliminate a major argument in support of its existence. The gravity gradient is most likely caused by lithologic varitions in the shallow crust, perhaps reflecting a relict boundary between the Cascade extensional trough to the west and Tertiary oceanic crust to the west. The boundary must have formed prior to Oligocene time, the age of the oldest rocks that now conceal it.

Mapping axonal density and average diameter using non-monotonic time-dependent gradient-echo MRI

NASA Astrophysics Data System (ADS)

Nunes, Daniel; Cruz, Tomás L.; Jespersen, Sune N.; Shemesh, Noam

2017-04-01

White Matter (WM) microstructures, such as axonal density and average diameter, are crucial to the normal function of the Central Nervous System (CNS) as they are closely related with axonal conduction velocities. Conversely, disruptions of these microstructural features may result in severe neurological deficits, suggesting that their noninvasive mapping could be an important step towards diagnosing and following pathophysiology. Whereas diffusion based MRI methods have been proposed to map these features, they typically entail the application of powerful gradients, which are rarely available in the clinic, or extremely long acquisition schemes to extract information from parameter-intensive models. In this study, we suggest that simple and time-efficient multi-gradient-echo (MGE) MRI can be used to extract the axon density from susceptibility-driven non-monotonic decay in the time-dependent signal. We show, both theoretically and with simulations, that a non-monotonic signal decay will occur for multi-compartmental microstructures - such as axons and extra-axonal spaces, which were here used as a simple model for the microstructure - and that, for axons parallel to the main magnetic field, the axonal density can be extracted. We then experimentally demonstrate in ex-vivo rat spinal cords that its different tracts - characterized by different microstructures - can be clearly contrasted using the MGE-derived maps. When the quantitative results are compared against ground-truth histology, they reflect the axonal fraction (though with a bias, as evident from Bland-Altman analysis). As well, the extra-axonal fraction can be estimated. The results suggest that our model is oversimplified, yet at the same time evidencing a potential and usefulness of the approach to map underlying microstructures using a simple and time-efficient MRI sequence. We further show that a simple general-linear-model can predict the average axonal diameters from the four model parameters, and map these average axonal diameters in the spinal cords. While clearly further modelling and theoretical developments are necessary, we conclude that salient WM microstructural features can be extracted from simple, SNR-efficient multi-gradient echo MRI, and that this paves the way towards easier estimation of WM microstructure in vivo.

Mapping axonal density and average diameter using non-monotonic time-dependent gradient-echo MRI.

PubMed

Nunes, Daniel; Cruz, Tomás L; Jespersen, Sune N; Shemesh, Noam

2017-04-01

White Matter (WM) microstructures, such as axonal density and average diameter, are crucial to the normal function of the Central Nervous System (CNS) as they are closely related with axonal conduction velocities. Conversely, disruptions of these microstructural features may result in severe neurological deficits, suggesting that their noninvasive mapping could be an important step towards diagnosing and following pathophysiology. Whereas diffusion based MRI methods have been proposed to map these features, they typically entail the application of powerful gradients, which are rarely available in the clinic, or extremely long acquisition schemes to extract information from parameter-intensive models. In this study, we suggest that simple and time-efficient multi-gradient-echo (MGE) MRI can be used to extract the axon density from susceptibility-driven non-monotonic decay in the time-dependent signal. We show, both theoretically and with simulations, that a non-monotonic signal decay will occur for multi-compartmental microstructures - such as axons and extra-axonal spaces, which were here used as a simple model for the microstructure - and that, for axons parallel to the main magnetic field, the axonal density can be extracted. We then experimentally demonstrate in ex-vivo rat spinal cords that its different tracts - characterized by different microstructures - can be clearly contrasted using the MGE-derived maps. When the quantitative results are compared against ground-truth histology, they reflect the axonal fraction (though with a bias, as evident from Bland-Altman analysis). As well, the extra-axonal fraction can be estimated. The results suggest that our model is oversimplified, yet at the same time evidencing a potential and usefulness of the approach to map underlying microstructures using a simple and time-efficient MRI sequence. We further show that a simple general-linear-model can predict the average axonal diameters from the four model parameters, and map these average axonal diameters in the spinal cords. While clearly further modelling and theoretical developments are necessary, we conclude that salient WM microstructural features can be extracted from simple, SNR-efficient multi-gradient echo MRI, and that this paves the way towards easier estimation of WM microstructure in vivo. Copyright © 2017 Elsevier Inc. All rights reserved.

Modelling Stream-Fish Functional Traits in Reference Conditions: Regional and Local Environmental Correlates

PubMed Central

Oliveira, João M.; Segurado, Pedro; Santos, José M.; Teixeira, Amílcar; Ferreira, Maria T.; Cortes, Rui V.

2012-01-01

Identifying the environmental gradients that control the functional structure of biological assemblages in reference conditions is fundamental to help river management and predict the consequences of anthropogenic stressors. Fish metrics (density of ecological guilds, and species richness) from 117 least disturbed stream reaches in several western Iberia river basins were modelled with generalized linear models in order to investigate the importance of regional- and local-scale abiotic gradients to variation in functional structure of fish assemblages. Functional patterns were primarily associated with regional features, such as catchment elevation and slope, rainfall, and drainage area. Spatial variations of fish guilds were thus associated with broad geographic gradients, showing (1) pronounced latitudinal patterns, affected mainly by climatic factors and topography, or (2) at the basin level, strong upstream-downstream patterns related to stream position in the longitudinal gradient. Maximum native species richness was observed in midsize streams in accordance with the river continuum concept. The findings of our study emphasized the need to use a multi-scale approach in order to fully assess the factors that govern the functional organization of biotic assemblages in ‘natural’ streams, as well as to improve biomonitoring and restoration of fluvial ecosystems. PMID:23029242

Subcritical and supercritical fuel injection and mixing in single and binary species systems

NASA Astrophysics Data System (ADS)

Roy, Arnab

Subcritical and supercritical fluid injection using a single round injector into a quiescent atmosphere comprising single and binary species was investigated using optical diagnostics. Different disintegration and mixing modes are expected for the two cases. In the binary species case, the atmosphere comprised an inert gas of a different composition than that of the injected fluid. In single species case, the atmosphere consisted of the same species as that of the injected fluid. Density values were quantified and density gradient profiles were inferred from the experimental data. A novel method was applied for the detection of detailed structures throughout the entire jet center plane. Various combinations of injectant and chamber conditions were tested and a wide range of density ratios were covered. The subcritical cases demonstrated the importance of surface tension and inertial forces, while the supercritical cases showed no signs of surface tension and, in most situations, resembled the mixing characteristics of a gaseous jet injected into a gaseous environment. A comparison between the single and binary species systems has also been provided. A detailed laser calibration procedure was undertaken to account for the laser absorption through the gas and liquid phases and for fluorescence in the non-linear excitation regime for high laser pulse energy. Core lengths were measured for binary species cases and correlated with visualization results. An eigenvalue approach was taken to determine the location of maximum gradients for determining the core length. Jet divergence angles were also calculated and were found to increase with chamber-to-injectant density ratio for both systems. A model was proposed for the spreading angle dependence on density ratio for both single and binary species systems and was compared to existing theoretical studies and experimental work. Finally, a linear stability analysis was performed for the jet injected into both subcritical and supercritical atmospheres. The subcritical cases showed good correlation with previous and current experimental results. The supercritical solutions, which have not yet been solved earlier by researchers, are found here through an asymptotic solution of the dispersion equation for exceedingly high Weber numbers.

Analytic reconstruction of magnetic resonance imaging signal obtained from a periodic encoding field.

PubMed

Rybicki, F J; Hrovat, M I; Patz, S

2000-09-01

We have proposed a two-dimensional PERiodic-Linear (PERL) magnetic encoding field geometry B(x,y) = g(y)y cos(q(x)x) and a magnetic resonance imaging pulse sequence which incorporates two fields to image a two-dimensional spin density: a standard linear gradient in the x dimension, and the PERL field. Because of its periodicity, the PERL field produces a signal where the phase of the two dimensions is functionally different. The x dimension is encoded linearly, but the y dimension appears as the argument of a sinusoidal phase term. Thus, the time-domain signal and image spin density are not related by a two-dimensional Fourier transform. They are related by a one-dimensional Fourier transform in the x dimension and a new Bessel function integral transform (the PERL transform) in the y dimension. The inverse of the PERL transform provides a reconstruction algorithm for the y dimension of the spin density from the signal space. To date, the inverse transform has been computed numerically by a Bessel function expansion over its basis functions. This numerical solution used a finite sum to approximate an infinite summation and thus introduced a truncation error. This work analytically determines the basis functions for the PERL transform and incorporates them into the reconstruction algorithm. The improved algorithm is demonstrated by (1) direct comparison between the numerically and analytically computed basis functions, and (2) reconstruction of a known spin density. The new solution for the basis functions also lends proof of the system function for the PERL transform under specific conditions.

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

Ochs, I. E.; Bertelli, N.; Fisch, N. J.

Although lower hybrid waves are effective at driving currents in present-day tokamaks, they are expected to interact strongly with high-energy particles in extrapolating to reactors. In the presence of a radial alpha particle birth gradient, this interaction can take the form of wave amplification rather than damping. While it is known that this amplification more easily occurs when launching from the tokamak high-field side, the extent of this amplification has not been made quantitative. Here, by tracing rays launched from the high-field-side of a tokamak, the required radial gradients to achieve amplification are calculated for a temperature and density regimemore » consistent with a hot-ion-mode fusion reactor. These simulations, while valid only in the linear regime of wave amplification, nonetheless illustrate the possibilities for wave amplification using high-field launch of the lower hybrid wave.« less

Particle simulation of electromagnetic emissions from electrostatic instability driven by an electron ring beam on the density gradient

NASA Astrophysics Data System (ADS)

Horký, Miroslav; Omura, Yoshiharu; Santolík, Ondřej

2018-04-01

This paper presents the wave mode conversion between electrostatic and electromagnetic waves on the plasma density gradient. We use 2-D electromagnetic code KEMPO2 implemented with the generation of density gradient to simulate such a conversion process. In the dense region, we use ring beam instability to generate electron Bernstein waves and we study the temporal evolution of wave spectra, velocity distributions, Poynting flux, and electric and magnetic energies to observe the wave mode conversion. Such a conversion process can be a source of electromagnetic emissions which are routinely measured by spacecraft on the plasmapause density gradient.

Density-Gradient-Driven trapped-electron-modes in improved-confinement RFP plasmas

NASA Astrophysics Data System (ADS)

Duff, James; Sarff, John; Ding, Weixing; Brower, David; Parke, Eli; Chapman, Brett; Terry, Paul; Pueschel, M. J.; Williams, Zach

2017-10-01

Short wavelength density fluctuations in improved-confinement MST plasmas exhibit multiple features characteristic of the trapped-electron-mode (TEM). Core transport in the RFP is normally governed by magnetic stochasticity stemming from long wavelength tearing modes that arise from current profile peaking, which are suppressed via inductive control for this work. The improved confinement is associated with an increase in the pressure gradient that can destabilize drift waves. The measured density fluctuations have f 50 kHz, kϕρs < 0.14 , and propagate in the electron drift direction. Their spectral emergence coincides with a sharp decrease in global tearing mode associated fluctuations, their amplitude increases with local density gradient, and they exhibit a density-gradient threshold at R /Ln 15 . The GENE code, modified for the RFP, predicts the onset of density-gradient-driven TEM for these strong-gradient plasma conditions. While nonlinear analysis shows a large Dimits shift associated with predicted strong zonal flows, the inclusion of residual magnetic fluctuations, comparable to experimental magnetic fluctuations, causes a collapse of the zonal flows and an increase in the predicted transport to a level close to the experimentally measured heat flux. Work supported by US DOE.

Differential interferometry for measurement of density fluctuations and fluctuation-induced transport (invited)

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

Lin, L.; Ding, W. X.; Brower, D. L.

2010-10-15

Differential interferometry employs two parallel laser beams with a small spatial offset (less than beam width) and frequency difference (1-2 MHz) using common optics and a single mixer for a heterodyne detection. The differential approach allows measurement of the electron density gradient, its fluctuations, as well as the equilibrium density distribution. This novel interferometry technique is immune to fringe skip errors and is particularly useful in harsh plasma environments. Accurate calibration of the beam spatial offset, accomplished by use of a rotating dielectric wedge, is required to enable broad application of this approach. Differential interferometry has been successfully used onmore » the Madison Symmetric Torus reversed-field pinch plasma to directly measure fluctuation-induced transport along with equilibrium density profile evolution during pellet injection. In addition, by combining differential and conventional interferometry, both linear and nonlinear terms of the electron density fluctuation energy equation can be determined, thereby allowing quantitative investigation of the origin of the density fluctuations. The concept, calibration, and application of differential interferometry are presented.« less

Design and fabrication of a metamaterial gradient index diffraction grating at infrared wavelengths.

PubMed

Tsai, Yu-Ju; Larouche, Stéphane; Tyler, Talmage; Lipworth, Guy; Jokerst, Nan M; Smith, David R

2011-11-21

We demonstrate the design, fabrication and characterization of an artificially structured, gradient index metamaterial with a linear index variation of Δn ~ 3.0. The linear gradient profile is repeated periodically to form the equivalent of a blazed grating, with the gradient occurring across a spatial distance of 61 μm. The grating, which operates at a wavelength of 10.6 μm, is composed of non-resonant, progressively modified "I-beam" metamaterial elements and approximates a linear phase shift gradient using 61 distinguishable phase levels. The grating structure consists of four layers of lithographically patterned metallic I-beam elements separated by dielectric layers of SiO(2). The index gradient is confirmed by comparing the measured magnitudes of the -1, 0 and +1 diffracted orders to those obtained from full wave simulations incorporating all material properties of the metals and dielectrics of the structures. The large index gradient has the potential to enable compact infrared diffractive and gradient index optics, as well as more exotic transformation optical media. © 2011 Optical Society of America

On the mechanism of self gravitating Rossby interfacial waves in proto-stellar accretion discs

NASA Astrophysics Data System (ADS)

Yellin-Bergovoy, Ron; Heifetz, Eyal; Umurhan, Orkan M.

2016-05-01

The dynamical response of edge waves under the influence of self-gravity is examined in an idealised two-dimensional model of a proto-stellar disc, characterised in steady state as a rotating vertically infinite cylinder of fluid with constant density except for a single density interface at some radius ?. The fluid in basic state is prescribed to rotate with a Keplerian profile ? modified by some additional azimuthal sheared flow. A linear analysis shows that there are two azimuthally propagating edge waves, kin to the familiar Rossby waves and surface gravity waves in terrestrial studies, which move opposite to one another with respect to the local basic state rotation rate at the interface. Instability only occurs if the radial pressure gradient is opposite to that of the density jump (unstably stratified) where self-gravity acts as a wave stabiliser irrespective of the stratification of the system. The propagation properties of the waves are discussed in detail in the language of vorticity edge waves. The roles of both Boussinesq and non-Boussinesq effects upon the stability and propagation of these waves with and without the inclusion of self-gravity are then quantified. The dynamics involved with self-gravity non-Boussinesq effect is shown to be a source of vorticity production where there is a jump in the basic state density In addition, self-gravity also alters the dynamics via the radial main pressure gradient, which is a Boussinesq effect. Further applications of these mechanical insights are presented in the conclusion including the ways in which multiple density jumps or gaps may or may not be stable.

B2.5-Eirene modeling of radial transport in the MAGPIE linear plasma device

NASA Astrophysics Data System (ADS)

Owen, L. W.; Caneses, J. F.; Canik, J.; Lore, J. D.; Corr, C.; Blackwell, B.; Bonnin, X.; Rapp, J.

2017-05-01

Radial transport in helicon heated hydrogen plasmas in the MAGnetized Plasma Interaction Experiment (MAGPIE) is studied with the B2.5-Eirene (SOLPS5.0) code. Radial distributions of plasma density, temperature and ambipolar potential are computed for several magnetic field configurations and compared to double Langmuir probe measurements. Evidence for an unmagnetized ion population is seen in the requirement for a convective pinch term in the continuity equation in order to fit the centrally peaked density profile data. The measured slightly hollow electron temperature profiles are reproduced with combinations of on-axis and edge heating which can be interpreted as helicon and Trivelpiece-Gould wave absorption, respectively. Pressure gradient driven radial charged particle diffusion is chosen to describe the diffusive particle flux since the hollowness of the temperature profiles assists the establishment of on-axis density peaking.

Correlations between emission timescale of fragments and isospin dynamics in 124Sn+64Ni and 112Sn+58Ni reactions at 35A MeV

NASA Astrophysics Data System (ADS)

De Filippo, E.; Pagano, A.; Russotto, P.; Amorini, F.; Anzalone, A.; Auditore, L.; Baran, V.; Berceanu, I.; Borderie, B.; Bougault, R.; Bruno, M.; Cap, T.; Cardella, G.; Cavallaro, S.; Chatterjee, M. B.; Chbihi, A.; Colonna, M.; D'Agostino, M.; Dayras, R.; Di Toro, M.; Frankland, J.; Galichet, E.; Gawlikowicz, W.; Geraci, E.; Grzeszczuk, A.; Guazzoni, P.; Kowalski, S.; La Guidara, E.; Lanzalone, G.; Lanzanò, G.; Le Neindre, N.; Lombardo, I.; Maiolino, C.; Papa, M.; Piasecki, E.; Pirrone, S.; Płaneta, R.; Politi, G.; Pop, A.; Porto, F.; Rivet, M. F.; Rizzo, F.; Rosato, E.; Schmidt, K.; Siwek-Wilczyńska, K.; Skwira-Chalot, I.; Trifirò, A.; Trimarchi, M.; Verde, G.; Vigilante, M.; Wieleczko, J. P.; Wilczyński, J.; Zetta, L.; Zipper, W.

2012-07-01

We present a new experimental method to correlate the isotopic composition of intermediate mass fragments (IMF) emitted at midrapidity in semiperipheral collisions with the emission timescale: IMFs emitted in the early stage of the reaction show larger values of isospin asymmetry, stronger angular anisotropies, and reduced odd-even staggering effects in neutron to proton ratio distributions than those produced in sequential statistical emission. All these effects support the concept of isospin “migration”, that is sensitive to the density gradient between participant and quasispectator nuclear matter, in the so called neck fragmentation mechanism. By comparing the data to a stochastic mean field (SMF) simulation we show that this method gives valuable constraints on the symmetry energy term of nuclear equation of state at subsaturation densities. An indication emerges for a linear density dependence of the symmetry energy.

The effect of density gradients on hydrometers

NASA Astrophysics Data System (ADS)

Heinonen, Martti; Sillanpää, Sampo

2003-05-01

Hydrometers are simple but effective instruments for measuring the density of liquids. In this work, we studied the effect of non-uniform density of liquid on a hydrometer reading. The effect induced by vertical temperature gradients was investigated theoretically and experimentally. A method for compensating for the effect mathematically was developed and tested with experimental data obtained with the MIKES hydrometer calibration system. In the tests, the method was found reliable. However, the reliability depends on the available information on the hydrometer dimensions and density gradients.

Image and in situ data integration to derive sawgrass density for surface flow modelling in the Everglades, Florida, USA

USGS Publications Warehouse

Jones, J.W.

2000-01-01

The US Geological Survey is building models of the Florida Everglades to be used in managing south Florida surface water flows for habitat restoration and maintenance. Because of the low gradients in the Everglades, vegetation structural characteristics are very important and greatly influence surface water flow and distribution. Vegetation density is being evaluated as an index of surface resistance to flow. Digital multispectral videography (DMSV) has been captured over several sites just before field collection of vegetation data. Linear regression has been used to establish a relationship between normalized difference vegetation index (NDVI) values computed from the DMSV and field-collected biomass and density estimates. Spatial analysis applied to the DMSV data indicates that thematic mapper (TM) resolution is at the limit required to capture land surface heterogeneity. The TM data collected close to the time of the DMSV will be used to derive a regional sawgrass density map.

Image and in situ data integration to derive sawgrass density for surface flow modelling in the Everglades, Florida, USA

USGS Publications Warehouse

Jones, J.W.

2001-01-01

The US Geological Survey is building models of the Florida Everglades to be used in managing south Florida surface water flows for habitat restoration and maintenance. Because of the low gradients in the Everglades, vegetation structural characteristics are very important and greatly influence surface water flow and distribution. Vegetation density is being evaluated as an index of surface resistance to flow. Digital multispectral videography (DMSV) has been captured over several sites just before field collection of vegetation data. Linear regression has been used to establish a relationship between normalized difference vegetation index (NDVI) values computed from the DMSV and field-collected biomass and density estimates. Spatial analysis applied to the DMSV data indicates that thematic mapper (TM) resolution is at the limit required to capture land surface heterogeneity. The TM data collected close to the time of the DMSV will be used to derive a regional sawgrass density map.

Sequential limiting in continuous and discontinuous Galerkin methods for the Euler equations

NASA Astrophysics Data System (ADS)

Dobrev, V.; Kolev, Tz.; Kuzmin, D.; Rieben, R.; Tomov, V.

2018-03-01

We present a new predictor-corrector approach to enforcing local maximum principles in piecewise-linear finite element schemes for the compressible Euler equations. The new element-based limiting strategy is suitable for continuous and discontinuous Galerkin methods alike. In contrast to synchronized limiting techniques for systems of conservation laws, we constrain the density, momentum, and total energy in a sequential manner which guarantees positivity preservation for the pressure and internal energy. After the density limiting step, the total energy and momentum gradients are adjusted to incorporate the irreversible effect of density changes. Antidiffusive corrections to bounds-compatible low-order approximations are limited to satisfy inequality constraints for the specific total and kinetic energy. An accuracy-preserving smoothness indicator is introduced to gradually adjust lower bounds for the element-based correction factors. The employed smoothness criterion is based on a Hessian determinant test for the density. A numerical study is performed for test problems with smooth and discontinuous solutions.

Horizontal density-gradient effects on simulation of flow and transport in the Potomac Estuary

USGS Publications Warehouse

Schaffranek, Raymond W.; Baltzer, Robert A.; ,

1990-01-01

A two-dimensional, depth-integrated, hydrodynamic/transport model of the Potomac Estuary between Indian Head and Morgantown, Md., has been extended to include treatment of baroclinic forcing due to horizontal density gradients. The finite-difference model numerically integrates equations of mass and momentum conservation in conjunction with a transport equation for heat, salt, and constituent fluxes. Lateral and longitudinal density gradients are determined from salinity distributions computed from the convection-diffusion equation and an equation of state that expresses density as a function of temperature and salinity; thus, the hydrodynamic and transport computations are directly coupled. Horizontal density variations are shown to contribute significantly to momentum fluxes determined in the hydrodynamic computation. These fluxes lead to enchanced tidal pumping, and consequently greater dispersion, as is evidenced by numerical simulations. Density gradient effects on tidal propagation and transport behavior are discussed and demonstrated.

NIMROD calculations of energetic particle driven toroidal Alfvén eigenmodes

NASA Astrophysics Data System (ADS)

Hou, Yawei; Zhu, Ping; Kim, Charlson C.; Hu, Zhaoqing; Zou, Zhihui; Wang, Zhengxiong; Nimrod Team

2018-01-01

Toroidal Alfvén eigenmodes (TAEs) are gap modes induced by the toroidicity of tokamak plasmas in the absence of continuum damping. They can be excited by energetic particles (EPs) when the EP drive exceeds other dampings, such as electron and ion Landau damping, and collisional and radiative damping. A TAE benchmark case, which was proposed by the International Tokamak Physics Activity group, is studied in this work. The numerical calculations of linear growth of TAEs driven by EPs in a circular-shaped, large aspect ratio tokamak have been performed using the Hybrid Kinetic-MHD (HK-MHD) model implemented in the NIMROD code. This HK-MHD model couples a δf particle-in-cell representation of EPs with the 3D MHD representation of the bulk plasma through moment closure for the momentum conservation equation. Both the excitation of TAEs and their transition to energetic particle modes (EPMs) have been observed. The influence of EP density, temperature, density gradient, and position of the maximum relative density gradient, on the frequency and the growth rate of TAEs are obtained, which are consistent with those from the eigen-analysis calculations, kinetic-MHD, and gyrokinetic simulations for an initial Maxwellian distribution of EPs. The relative pressure gradient of EP at the radial location of the TAE gap, which represents the drive strength of EPs, can strongly affect the growth rate of TAEs. It is demonstrated that the mode transition due to EP drive variation leads to not only the change of frequency but also the change of the mode structure. This mechanism can be helpful in understanding the nonlinear physics of TAE/EPM, such as frequency chirping.

Subsurface geologic features of the 2011 central Virginia earthquakes revealed by airborne geophysics

USGS Publications Warehouse

Shah, Anjana K.; Horton, J. Wright; Burton, William C.; Spears, David B; Gilmer, Amy K

2014-01-01

Characterizing geologic features associated with major earthquakes provides insights into mechanisms contributing to fault slip and assists evaluation of seismic hazard. We use high-resolution airborne geophysical data combined with ground sample measurements to image subsurface geologic features associated with the 2011 moment magnitude (Mw) 5.8 central Virginia (USA) intraplate earthquake and its aftershocks. Geologic mapping and magnetic data analyses suggest that the earthquake occurred near a complex juncture of geologic contacts. These contacts also intersect a >60-km-long linear gravity gradient. Distal aftershocks occurred in tight, ~1-km-wide clusters near other obliquely oriented contacts that intersect gravity gradients, in contrast to more linearly distributed seismicity observed at other seismic zones. These data and corresponding models suggest that local density contrasts (manifested as gravity gradients) modified the nearby stress regime in a manner favoring failure. However, along those gradients seismic activity is localized near structural complexities, suggesting a significant contribution from variations in associated rock characteristics such as rheological weakness and/or rock permeability, which may be enhanced in those areas. Regional magnetic data show a broader bend in geologic structures within the Central Virginia seismic zone, suggesting that seismic activity may also be enhanced in other nearby areas with locally increased rheological weaknesses and/or rock permeability. In contrast, away from the Mw5.8 epicenter, geophysical lineaments are nearly continuous for tens of kilometers, especially toward the northeast. Continuity of associated geologic structures probably contributed to efficient propagation of seismic energy in that direction, consistent with moderate to high levels of damage from Louisa County to Washington, D.C., and neighboring communities.

Distributed Memory Parallel Computing with SEAWAT

NASA Astrophysics Data System (ADS)

Verkaik, J.; Huizer, S.; van Engelen, J.; Oude Essink, G.; Ram, R.; Vuik, K.

2017-12-01

Fresh groundwater reserves in coastal aquifers are threatened by sea-level rise, extreme weather conditions, increasing urbanization and associated groundwater extraction rates. To counteract these threats, accurate high-resolution numerical models are required to optimize the management of these precious reserves. The major model drawbacks are long run times and large memory requirements, limiting the predictive power of these models. Distributed memory parallel computing is an efficient technique for reducing run times and memory requirements, where the problem is divided over multiple processor cores. A new Parallel Krylov Solver (PKS) for SEAWAT is presented. PKS has recently been applied to MODFLOW and includes Conjugate Gradient (CG) and Biconjugate Gradient Stabilized (BiCGSTAB) linear accelerators. Both accelerators are preconditioned by an overlapping additive Schwarz preconditioner in a way that: a) subdomains are partitioned using Recursive Coordinate Bisection (RCB) load balancing, b) each subdomain uses local memory only and communicates with other subdomains by Message Passing Interface (MPI) within the linear accelerator, c) it is fully integrated in SEAWAT. Within SEAWAT, the PKS-CG solver replaces the Preconditioned Conjugate Gradient (PCG) solver for solving the variable-density groundwater flow equation and the PKS-BiCGSTAB solver replaces the Generalized Conjugate Gradient (GCG) solver for solving the advection-diffusion equation. PKS supports the third-order Total Variation Diminishing (TVD) scheme for computing advection. Benchmarks were performed on the Dutch national supercomputer (https://userinfo.surfsara.nl/systems/cartesius) using up to 128 cores, for a synthetic 3D Henry model (100 million cells) and the real-life Sand Engine model ( 10 million cells). The Sand Engine model was used to investigate the potential effect of the long-term morphological evolution of a large sand replenishment and climate change on fresh groundwater resources. Speed-ups up to 40 were obtained with the new PKS solver.

Use of total electron content data to analyze ionosphere electron density gradients

NASA Astrophysics Data System (ADS)

Nava, B.; Radicella, S. M.; Leitinger, R.; Coïsson, P.

In the presence of electron density gradients the thin shell approximation for the ionosphere, used together with a simple mapping function to convert slant total electron content (TEC) to vertical TEC, could lead to TEC conversion errors. These "mapping function errors" can therefore be used to detect the electron density gradients in the ionosphere. In the present work GPS derived slant TEC data have been used to investigate the effects of the electron density gradients in the middle and low latitude ionosphere under geomagnetic quiet and disturbed conditions. In particular the data corresponding to the geographic area of the American Sector for the days 5-7 April 2000 have been used to perform a complete analysis of mapping function errors based on the "coinciding pierce point technique". The results clearly illustrate the electron density gradient effects according to the locations considered and to the actual levels of disturbance of the ionosphere. In addition, the possibility to assess an ionospheric shell height able to minimize the mapping function errors has been verified.

Surface tension and density of liquid In-Sn-Zn alloys

NASA Astrophysics Data System (ADS)

Pstruś, Janusz

2013-01-01

Using the dilatometric method, measurements of the density of liquid alloys of the ternary system In-Sn-Zn in four sections with a constant ratio Sn:In = 24:1, 3:1, 1:1, 1:3, for various Zn additions (5, 10, 14, 20, 3 5, 50 and 75 at.% Zn) were performed at the temperature ranges of 500-1150 K. Density decreases linearly for all compositions. The molar volume calculated from density data exhibits close to ideal dependence on composition. Measurements of the surface tension of liquid alloys have been conducted using the method of maximum pressure in the gas bubbles. There were observed linear dependences on temperature with a negative gradients dσ/dT. Generally, with two exceptions, there was observed the increase of surface tension with increasing content of zinc. Using the Butler's model, the surface tension isotherms were calculated for temperatures T = 673 and 1073 K. Calculations show that only for high temperatures and for low content of zinc (up to about 35 at.%), the modeling is in very good agreement with experiment. Using the mentioned model, the composition of the surface phase was defined at two temperatures T = 673 and 973 K. Regardless of the temperature and of the defined section, the composition of the bulk is very different in comparison with the composition of the surface.

Comparison of two sperm processing techniques for low complexity assisted fertilization: sperm washing followed by swim-up and discontinuous density gradient centrifugation.

PubMed

Fácio, Cássio L; Previato, Lígia F; Machado-Paula, Ligiane A; Matheus, Paulo Cs; Araújo, Edilberto

2016-12-01

This study aimed to assess and compare sperm motility, concentration, and morphology recovery rates, before and after processing through sperm washing followed by swim-up or discontinuous density gradient centrifugation in normospermic individuals. Fifty-eight semen samples were used in double intrauterine insemination procedures; 17 samples (group 1) were prepared with sperm washing followed by swim-up, and 41 (group 2) by discontinuous density gradient centrifugation. This prospective non-randomized study assessed seminal parameters before and after semen processing. A dependent t-test was used for the same technique to analyze seminal parameters before and after semen processing; an independent t-test was used to compare the results before and after processing for both techniques. The two techniques produced decreases in sample concentration (sperm washing followed by swim-up: P<0.000006; discontinuous density gradient centrifugation: P=0.008457) and increases in motility and normal morphology sperm rates after processing. The difference in sperm motility between the two techniques was not statistically significant. Sperm washing followed by swim-up had better morphology recovery rates than discontinuous density gradient centrifugation (P=0.0095); and the density gradient group had better concentration recovery rates than the swim-up group (P=0.0027). The two methods successfully recovered the minimum sperm values needed to perform intrauterine insemination. Sperm washing followed by swim-up is indicated for semen with high sperm concentration and better morphology recovery rates. Discontinuous density gradient centrifugation produced improved concentration recovery rates.

Density Gradient Columns for Chemical Displays.

ERIC Educational Resources Information Center

Guenther, William B.

1986-01-01

Procedures for preparing density gradient columns for chemical displays are presented. They include displays illustrating acid-base reactions, metal ion equilibria, and liquid density. The lifetime of these metastable displays is surprising, some lasting for months in display cabinets. (JN)

Effects of low central fuelling on density and ion temperature profiles in reversed shear plasmas on JT-60U

NASA Astrophysics Data System (ADS)

Takenaga, H.; Ide, S.; Sakamoto, Y.; Fujita, T.; JT-60 Team

2008-07-01

Effects of low central fuelling on density and ion temperature profiles have been investigated using negative ion based neutral beam injection and electron cyclotron heating (ECH) in reversed shear plasmas on JT-60U. Strong internal transport barrier (ITB) was maintained in density and ion temperature profiles, when central fuelling was decreased by switching positive ion based neutral beam injection to ECH after the strong ITB formation. Similar density and ion temperature ITBs were formed for the low and high central fuelling cases during the plasma current ramp-up phase. Strong correlation between the density gradient and the ion temperature gradient was observed, indicating that particle transport and ion thermal transport are strongly coupled or the density gradient assists the ion temperature ITB formation through suppression of drift wave instabilities such as ion temperature gradient mode. These results support that the density and ion temperature ITBs can be formed under reactor relevant conditions.

Is Urografin density gradient centrifugation suitable to separate nonculturable cells from Escherichia coli populations?

PubMed

Arana, Inés; Orruño, Maite; Seco, Carolina; Muela, Alicia; Barcina, Isabel

2008-03-01

The ability of Urografin or Percoll density gradient centrifugations to separate nonculturable subpopulations from heterogeneous Escherichia coli populations was analysed. Bacterial counts (total, active and culturable cells) and flow cytometric analyses were carried out in all recovered bands. After Urografin centrifugation, and despite the different origin of E. coli populations, a common pattern was obtained. High-density bands were formed mainly by nonculturable cells. However, the increase in cell density would not be common to all nonculturable cells, since part of this subpopulations banded in low-density zones, mixed with culturable cells. Bands obtained after Percoll centrifugation were heterogeneous and culturable and nonculturable cells were recovered along the gradient. Thus, fractionation in Urografin cannot be only attributed to changes in buoyant densities during the transition from culturable to nonculturable state. Urografin density gradients allow us to obtain enriched fractions in nonculturable subpopulations from a heterogeneous population, but working conditions should be carefully chosen to avoid Urografin toxicity.

Effect of density gradient centrifugation on reactive oxygen species in human semen.

PubMed

Takeshima, Teppei; Yumura, Yasushi; Kuroda, Shinnosuke; Kawahara, Takashi; Uemura, Hiroji; Iwasaki, Akira

2017-06-01

Density gradient centrifugation can separate motile sperm from immotile sperm and other cells for assisted reproduction, but may also remove antioxidants from seminal plasma, resulting in oxidative stress. Therefore, we investigated reactive oxygen species (ROS) concentrations and distribution in semen before and after density gradient centrifugation. We assessed semen volume, sperm concentration, sperm motility, and ROS levels before and after density gradient centrifugation (300 x g for 20 minutes) in 143 semen samples from 118 patients. The ROS removal rate was evaluated in ROS-positive samples and ROS formation rate in ROS-negative samples. Thirty-eight of 143 untreated samples (26.6%) were ROS-positive; sperm motility was significantly lower in these samples than in ROS-negative samples (p < 0.05). After density gradient centrifugation, only seven of the 38 ROS-positive samples (18.42%) exhibited a ROS-positive lower layer (containing motile sperm) with a ROS removal rate of 81.58%, whereas the upper layer was ROS-positive in 24 samples (63.16%). In the ROS-negative group (n = 105), ROS was detected in 19 samples after centrifugation (18.10%, ROS generation rate), of which 18 were ROS-positive only in the upper layer or interface and the other was ROS-positive in both layers. Density gradient centrifugation can separate motile sperm from immotile sperm as well as remove ROS (including newly generated ROS). This data supports the view that density gradient centrifugation can select motile spermatozoa without enhancing oxidative stress. ROS: reactive oxygen species; SOD: superoxide dismutase; GPx: glutathione peroxidase; DNA: deoxyribonucleic acid; DGC: density gradient centrifugation; IUI: intrauterine insemination; IVF: in vitro fertilization; HEPES: 4-(2-hydroxyethyl)-1-piperazineethanesulfonic acid; EDTA: ethylenediaminetetraacetic acid; HTF: HEPES-buffered human tubal fluid; IMSI: intracytoplasmic morphologically selected sperm injection; SMAS: sperm motility analyzing system; CASA: computer-assisted semen analyzer; WHO: World Health Organization.

Spectral Study of Measles Epidemics: The Dependence of Spectral Gradient on the Population Size of the Community

NASA Astrophysics Data System (ADS)

Sumi, Ayako; Olsen, Lars Folke; Ohtomo, Norio; Tanaka, Yukio; Sawamura, Sadashi

2003-02-01

We have carried out spectral analysis of measles notifications in several communities in Denmark, UK and USA. The results confirm that each power spectral density (PSD) shows exponential characteristics, which are universally observed in the PSD for time series generated from nonlinear dynamical system. The exponential gradient increases with the population size. For almost all communities, many spectral lines observed in each PSD can be fully assigned to linear combinations of several fundamental periods, suggesting that the measles data are substantially noise-free. The optimum least squares fitting curve calculated using these fundamental periods essentially reproduces an underlying variation of the measles data, and an extension of the curve can be used to predict measles epidemics. For the communities with large population sizes, some PSD patterns obtained from segment time series analysis show a close resemblance to the PSD patterns at the initial stages of a period-doubling bifurcation process for the so-called susceptible/exposed/infectious/recovered (SEIR) model with seasonal forcing. The meaning of the relationship between the exponential gradient and the population size is discussed.

Physics of increased edge electron temperature and density turbulence during ELM-free QH-mode operation on DIII-D

NASA Astrophysics Data System (ADS)

Sung, C.; Rhodes, T. L.; Staebler, G. M.; Yan, Z.; McKee, G. R.; Smith, S. P.; Osborne, T. H.; Peebles, W. A.

2018-05-01

For the first time, we report increased edge electron temperature and density turbulence levels ( T˜ e and n˜ e) in Edge Localized Mode free Quiescent H-mode (ELM-free QH-mode) plasmas as compared to the ELMing time period. ELMs can severely damage plasma facing components in fusion plasma devices due to their large transient energy transport, making ELM-free operation a highly sought after goal. The QH-mode is a candidate for this goal as it is ELM-free for times limited only by hardware constraints. It is found that the driving gradients decrease during the QH-mode compared to the ELMing phase, however, a significant decrease in the ExB shearing rate is also observed that taken together is consistent with the increased turbulence. These results are significant as the prediction and control of ELM-free H-mode regimes are crucial for the operation of future fusion devices such as ITER. The changes in the linear growth rates calculated by CGYRO [Candy et al., J. Comput. Phys. 324, 73 (2016)] and the measured ExB shearing rate between ELMing and QH-mode phases are qualitatively consistent with these turbulence changes. Comparison with ELMing and 3D fields ELM suppressed H-mode finds a similar increase in T˜ e and n˜ e, however, with distinctly different origins, the increased driving gradients rather than the changes in the ExB shearing rate in 3D fields ELM suppressed the H-mode. However, linear gyrokinetic calculation results are generally consistent with the increased turbulence in both ELM-controlled discharges.

Systematic generation of buffer systems for pH gradient ion exchange chromatography and their application.

PubMed

Kröner, Frieder; Hubbuch, Jürgen

2013-04-12

pH gradient protein separations are widely used techniques in the field of protein analytics, of which isoelectric focusing is the most well known application. The chromatographic variant, based on the formation of pH gradients in ion exchange columns is only rarely applied due to the difficulties to form controllable, linear pH gradients over a broad pH range. This work describes a method for the systematic generation of buffer compositions with linear titration curves, resulting in well controllable pH gradients. To generate buffer compositions with linear titration curves an in silico method was successfully developed. With this tool, buffer compositions for pH gradient ion exchange chromatography with pH ranges spanning up to 7.5 pH units were established and successfully validated. Subsequently, the buffer systems were used to characterize the elution behavior of 22 different model proteins in cation and anion exchange pH gradient chromatography. The results of both chromatographic modes as well as isoelectric focusing were compared to describe differences in between the methods. Copyright © 2013 Elsevier B.V. All rights reserved.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

We present two efficient iterative algorithms for solving the linear response eigen- value problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into a product eigenvalue problem that is self-adjoint with respect to a K-inner product. This product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-innermore » product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. However, the other component of the eigenvector can be easily recovered in a postprocessing procedure. Therefore, the algorithms we present here are more efficient than existing algorithms that try to approximate both components of the eigenvectors simultaneously. The efficiency of the new algorithms is demonstrated by numerical examples.« less

On the rising motion of a drop in stratified fluids

NASA Astrophysics Data System (ADS)

Bayareh, M.; Doostmohammadi, A.; Dabiri, S.; Ardekani, A. M.

2013-10-01

The rising dynamics of a deformable drop in a linearly stratified fluid is numerically obtained using a finite-volume/front-tracking method. Our results show that the drag coefficient of a spherical drop in a stratified fluid enhances as C_{d,s}/C_{d,h}-1˜ Fr_d^{-2.86} for drop Froude numbers in the range of 4 < Frd < 16. The role of the deformability of the drop on the temporal evolution of the motion is investigated along with stratification and inertial effects. We also present the important role of stratification on the transient rising motion of the drop. It is shown that a drop can levitate in the presence of a vertical density gradient. The drop undergoes a fading oscillatory motion around its neutrally buoyant position except for high viscosity ratio drops where the oscillation occurs around a density level lighter than the neutral buoyancy level. In addition, a detailed characterization of the flow signature of a rising drop in a linearly stratified fluid including the buoyancy induced vortices and the resultant buoyant jet is presented.

Comparison of Quasi-Conservative Pressure-Based and Fully-Conservative Formulations for the Simulation of Transcritical Flows

NASA Astrophysics Data System (ADS)

Lacaze, Guilhem; Oefelein, Joseph

2016-11-01

High-pressure flows are known to be challenging to simulate due to thermodynamic non-linearities occurring in the vicinity of the pseudo-boiling line. This study investigates the origin of this issue by analyzing the behavior of thermodynamic processes at elevated pressure and low temperature. We show that under transcritical conditions, non-linearities significantly amplify numerical errors associated with construction of fluxes. These errors affect the local density and energy balances, which in turn creates pressure oscillations. For that reason, solvers based on a conservative system of equations that transport density and total energy are subject to unphysical pressure variations in gradient regions. These perturbations hinder numerical stability and degrade the accuracy of predictions. To circumvent this problem, the governing system can be reformulated to a pressure-based treatment of energy. We present comparisons between the pressure-based and fully conservative formulations using a progressive set of canonical cases, including a cryogenic turbulent mixing layer at rocket engine conditions. Department of Energy, Office of Science, Basic Energy Sciences Program.

Modeling of 3D magnetic equilibrium effects on edge turbulence stability during RMP ELM suppression in tokamaks

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

Wilcox, R. S.; Wingen, Andreas; Cianciosa, Mark R.

Some recent experimental observations have found turbulent fluctuation structures that are non-axisymmetric in a tokamak with applied 3D fields. Here, two fluid resistive effects are shown to produce changes relevant to turbulent transport in the modeled 3D magnetohydrodynamic (MHD) equilibrium of tokamak pedestals with these 3D fields applied. Ideal MHD models are insufficient to reproduce the relevant effects. By calculating the ideal 3D equilibrium using the VMEC code, the geometric shaping parameters that determine linear turbulence stability, including the normal curvature and local magnetic shear, are shown to be only weakly modified by applied 3D fields in the DIII-D tokamak.more » These ideal MHD effects are therefore not sufficient to explain the observed changes to fluctuations and transport. Using the M3D-C1 code to model the 3D equilibrium, density is shown to be redistributed on flux surfaces in the pedestal when resistive two fluid effects are included, while islands are screened by rotation in this region. Furthermore, the redistribution of density results in density and pressure gradient scale lengths that vary within pedestal flux surfaces between different helically localized flux tubes. This would produce different drive terms for trapped electron mode and kinetic ballooning mode turbulence, the latter of which is expected to be the limiting factor for pedestal pressure gradients in DIII-D.« less

Modeling of 3D magnetic equilibrium effects on edge turbulence stability during RMP ELM suppression in tokamaks

DOE PAGES

Wilcox, R. S.; Wingen, Andreas; Cianciosa, Mark R.; ...

2017-07-28

Some recent experimental observations have found turbulent fluctuation structures that are non-axisymmetric in a tokamak with applied 3D fields. Here, two fluid resistive effects are shown to produce changes relevant to turbulent transport in the modeled 3D magnetohydrodynamic (MHD) equilibrium of tokamak pedestals with these 3D fields applied. Ideal MHD models are insufficient to reproduce the relevant effects. By calculating the ideal 3D equilibrium using the VMEC code, the geometric shaping parameters that determine linear turbulence stability, including the normal curvature and local magnetic shear, are shown to be only weakly modified by applied 3D fields in the DIII-D tokamak.more » These ideal MHD effects are therefore not sufficient to explain the observed changes to fluctuations and transport. Using the M3D-C1 code to model the 3D equilibrium, density is shown to be redistributed on flux surfaces in the pedestal when resistive two fluid effects are included, while islands are screened by rotation in this region. Furthermore, the redistribution of density results in density and pressure gradient scale lengths that vary within pedestal flux surfaces between different helically localized flux tubes. This would produce different drive terms for trapped electron mode and kinetic ballooning mode turbulence, the latter of which is expected to be the limiting factor for pedestal pressure gradients in DIII-D.« less

Electronic response of rare-earth magnetic-refrigeration compounds GdX2 (X = Fe and Co)

NASA Astrophysics Data System (ADS)

Bhatt, Samir; Ahuja, Ushma; Kumar, Kishor; Heda, N. L.

2018-05-01

We present the Compton profiles (CPs) of rare-earth-transition metal compounds GdX2 (X = Fe and Co) using 740 GBq 137Cs Compton spectrometer. To compare the experimental momentum densities, we have also computed the CPs, electronic band structure, density of states (DOS) and Mulliken population (MP) using linear combination of atomic orbitals (LCAO) method. Local density and generalized gradient approximations within density functional theory (DFT) along with the hybridization of Hartree-Fock and DFT (B3LYP and PBE0) have been considered under the framework of LCAO scheme. It is seen that the LCAO-B3LYP based momentum densities give a better agreement with the experimental data for both the compounds. The energy bands and DOS for both the spin-up and spin-down states show metallic like character of the reported intermetallic compounds. The localization of 3d electrons of Co and Fe has also been discussed in terms of equally normalized CPs and MP data. Discussion on magnetization using LCAO method is also included.

Theoretical investigation of the structural, electronic, dynamical and thermal properties of YSn3 and YPb3

NASA Astrophysics Data System (ADS)

Kılıçarslan, Aynur; Salmankurt, Bahadır; Duman, Sıtkı

2017-02-01

We have performed an ab initio study of the structural, electronic, dynamical and thermal properties of the cubic AuCu3-type YSn3 and YPb3 by using the density functional theory, plane-wave pseudopotential method and a linear response scheme, within the generalized gradient approximation. An analysis of the electronic density of states at the Fermi level is found to be governed by the p states of Sn and Pb atoms with some contributions from the d states of Y atoms. The obtained phonon figures indicate that these material are dynamically stable in the cubic structure. Due to the metallic behavior of the compounds, the calculated zone-center phonon modes are triply degenerate. Also the thermal properties have been examined.

Structural, electronic, magnetic and thermodynamic properties of Ni1-xTixO alloys an ab initio calculation and Monte Carlo study

NASA Astrophysics Data System (ADS)

Klaa, K.; Labidi, S.; Masrour, R.; Jabar, A.; Labidi, M.; Amara, A.; Drici, A.; Hlil, E. K.; Ellouze, M.

2018-06-01

Structural, electronic, magnetic and thermodynamic main features for Ni1-xTixO ternary alloys in rock-salt structure with Ti content in the range ? were studied using the full potential Linearized augmented plane wave (FP-LAPW) method within density functional theory. The exchange-correlation potential was calculated by the generalized gradient approximation. The analysis of the electronic density of states curves allowed the computation of the magnetic moments which are considered to lie along (010) axes. The thermodynamic stability of this alloy was investigated by calculating the excess enthalpy of mixing ? as well as the phase diagram. In addition, the Monte Carlo simulations have been exploited to calculate the transition temperature and magnetic coercive field in the alloy.

Density gradient free electron collisionally excited X-ray laser

DOEpatents

Campbell, Edward M.; Rosen, Mordecai D.

1989-01-01

An operational X-ray laser (30) is provided that amplifies 3p-3s transition X-ray radiation along an approximately linear path. The X-ray laser (30) is driven by a high power optical laser. The driving line focused optical laser beam (32) illuminates a free-standing thin foil (34) that may be associated with a substrate (36) for improved structural integrity. This illumination produces a generally cylindrically shaped plasma having an essentially uniform electron density and temperature, that exists over a long period of time, and provides the X-ray laser gain medium. The X-ray laser (30) may be driven by more than one optical laser beam (32, 44). The X-ray laser (30) has been successfully demonstrated to function in a series of experimental tests.

Characterizing Intra-Urban Air Quality Gradients with a Spatially-Distributed Network

NASA Astrophysics Data System (ADS)

Zimmerman, N.; Ellis, A.; Schurman, M. I.; Gu, P.; Li, H.; Snell, L.; Gu, J.; Subramanian, R.; Robinson, A. L.; Apte, J.; Presto, A. A.

2016-12-01

City-wide air pollution measurements have typically relied on regulatory or research monitoring sites with low spatial density to assess population-scale exposure. However, air pollutant concentrations exhibit significant spatial variability depending on local sources and features of the built environment, which may not be well captured by the existing monitoring regime. To better understand urban spatial and temporal pollution gradients at 1 km resolution, a network of 12 real-time air quality monitoring stations was deployed beginning July 2016 in Pittsburgh, PA. The stations were deployed at sites along an urban-rural transect and in urban locations with a range of traffic, restaurant, and tall building densities to examine the impact of various modifiable factors. Measurements from the stationary monitoring stations were further supported by mobile monitoring, which provided higher spatial resolution pollutant measurements on nearby roadways and enabled routine calibration checks. The stationary monitoring measurements comprise ultrafine particle number (Aerosol Dynamics "MAGIC" CPC), PM2.5 (Met One Neighborhood PM Monitor), black carbon (Met One BC 1050), and a new low-cost air quality monitor, the Real-time Affordable Multi-Pollutant (RAMP) sensor package for measuring CO, NO2, SO2, O3, CO2, temperature and relative humidity. High time-resolution (sub-minute) measurements across the distributed monitoring network enable insight into dynamic pollutant behaviour. Our preliminary findings show that our instruments are sensitive to PM2.5 gradients exceeding 2 micro-grams per cubic meter and ultrafine particle gradients exceeding 1000 particles per cubic centimeter. Additionally, we have developed rigorous calibration protocols to characterize the RAMP sensor response and drift, as well as multiple linear regression models to convert sensor response into pollutant concentrations that are comparable to reference instrumentation.

Elevational Gradient in Species Richness Pattern of Epigaeic Beetles and Underlying Mechanisms at East Slope of Balang Mountain in Southwestern China

PubMed Central

Yu, Xiao-Dong; Lü, Liang; Luo, Tian-Hong; Zhou, Hong-Zhang

2013-01-01

We report on the species richness patterns of epigaeic beetles (Coleoptera: Carabidae and Staphylinidae) along a subtropical elevational gradient of Balang Mountain, southwestern China. We tested the roles of environmental factors (e.g. temperature, area and litter cover) and direct biotic interactions (e.g. foods and antagonists) that shape elevational diversity gradients. Beetles were sampled at 19 sites using pitfall traps along the studied elevational gradient ranging from 1500 m–4000 m during the 2004 growing season. A total of 74416 specimens representing 260 species were recorded. Species richness of epigaeic beetles and two families showed unimodal patterns along the elevational gradient, peaking at mid-elevations (c. 2535 m), and the ranges of most beetle species were narrow along the gradient. The potential correlates of both species richness and environmental variables were examined using linear and second order polynomial regressions. The results showed that temperature, area and litter cover had strong explanatory power of beetle species richness for nearly all richness patterns, of beetles as a whole and of Carabidae and Staphylinidae, but the density of antagonists was associated with species richness of Carabidae only. Multiple regression analyses suggested that the three environmental factors combined contributed most to richness patterns for most taxa. The results suggest that environmental factors associated with temperature, area and habitat heterogeneity could account for most variation in richness pattern of epigaeic beetles. Additionally, the mid-elevation peaks and the small range size of most species indicate that conservation efforts should give attention to the entire gradient rather than just mid-elevations. PMID:23874906

Simultaneously driven linear and nonlinear spatial encoding fields in MRI.

PubMed

Gallichan, Daniel; Cocosco, Chris A; Dewdney, Andrew; Schultz, Gerrit; Welz, Anna; Hennig, Jürgen; Zaitsev, Maxim

2011-03-01

Spatial encoding in MRI is conventionally achieved by the application of switchable linear encoding fields. The general concept of the recently introduced PatLoc (Parallel Imaging Technique using Localized Gradients) encoding is to use nonlinear fields to achieve spatial encoding. Relaxing the requirement that the encoding fields must be linear may lead to improved gradient performance or reduced peripheral nerve stimulation. In this work, a custom-built insert coil capable of generating two independent quadratic encoding fields was driven with high-performance amplifiers within a clinical MR system. In combination with the three linear encoding fields, the combined hardware is capable of independently manipulating five spatial encoding fields. With the linear z-gradient used for slice-selection, there remain four separate channels to encode a 2D-image. To compare trajectories of such multidimensional encoding, the concept of a local k-space is developed. Through simulations, reconstructions using six gradient-encoding strategies were compared, including Cartesian encoding separately or simultaneously on both PatLoc and linear gradients as well as two versions of a radial-based in/out trajectory. Corresponding experiments confirmed that such multidimensional encoding is practically achievable and demonstrated that the new radial-based trajectory offers the PatLoc property of variable spatial resolution while maintaining finite resolution across the entire field-of-view. Copyright © 2010 Wiley-Liss, Inc.

Cd in SnO: Probing structural effects on the electronic structure of doped oxide semiconductors through the electric field gradient at the Cd nucleus

NASA Astrophysics Data System (ADS)

Errico, Leonardo A.; Rentería, Mario; Petrilli, Helena M.

2007-04-01

We perform an ab initio study of the electric field gradient (EFG) at the nucleus of Cd impurities at substitutional Sn sites in crystalline SnO. The full-potential linearized-augmented plane wave and the projector augmented wave methods used here allow us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host in a fully self-consistent way using a supercell approach in a state-of-the-art way. Effects of the impurity charge state on the electronic and structural properties are also discussed. Since the EFG is a very subtle quantity, its determination is very useful to probe ground-state properties such as the charge density. We show that the EFG is very sensitive to structural relaxations induced by the impurity. Our theoretical predictions are compared with available experimental results.

The effect of viscous flow and thermal flux on the rate of chemical reaction in dilute gases

NASA Astrophysics Data System (ADS)

Cukrowski, A. S.; Popielawski, J.

1986-11-01

Expression for the corrections describing the effect of viscous flow and thermal flux on the rate of chemical reaction have been derived for the reaction A + A = B + C described by Prigogine-Xhrouet and Present. These corrections are calculated for the velocity distribution function up to the second-order approximation for the Chapman-Enskog solution of the Boltzmann equation. These corrections are shown to be the same as those which would follow after application of the method of linearized-moments equations described by Eu and Li. The effects of viscous flow and thermal flux are presented as functions of activation energy of chemical reaction, temperature, density, coefficients of shear viscosity of thermal conductivity, and relevant gradients of mean molecular velocity or temperature. It is pointed out that for very slow reactions and for very large gradients (e.g. in shock waves) these effects can be quite significant.

Global simulation of edge pedestal micro-instabilities

NASA Astrophysics Data System (ADS)

Wan, Weigang; Parker, Scott; Chen, Yang

2011-10-01

We study micro turbulence of the tokamak edge pedestal with global gyrokinetic particle simulations. The simulation code GEM is an electromagnetic δf code. Two sets of DIII-D experimental profiles, shot #131997 and shot #136051 are used. The dominant instabilities appear to be two kinds of modes both propagating in the electron diamagnetic direction, with comparable linear growth rates. The low n mode is at the Alfven frequency range and driven by density and ion temperature gradients. The high n mode is driven by electron temperature gradient and has a low real frequency. A β scan shows that the low n mode is electromagnetic. Frequency analysis shows that the high n mode is sometimes mixed with an ion instability. Experimental radial electric field is applied and its effects studied. We will also show some preliminary nonlinear results. We thank R. Groebner, P. Snyder and Y. Zheng for providing experimental profiles and helpful discussions.

Gyrokinetic simulations of turbulent transport in a ring dipole plasma.

PubMed

Kobayashi, Sumire; Rogers, Barrett N; Dorland, William

2009-07-31

Gyrokinetic flux-tube simulations of turbulent transport due to small-scale entropy modes are presented in a ring-dipole magnetic geometry relevant to the Columbia-MIT levitated dipole experiment (LDX) [J. Kesner, Plasma Phys. J. 23, 742 (1997)]. Far from the current ring, the dipolar magnetic field leads to strong parallel variations, while close to the ring the system becomes nearly uniform along circular magnetic field lines. The transport in these two limits are found to be quantitatively similar given an appropriate normalization based on the local out-board parameters. The transport increases strongly with the density gradient, and for small eta=L(n)/L(T)<1, T(i) approximately T(e), and typical LDX parameters, can reach large levels. Consistent with linear theory, temperature gradients are stabilizing, and for T(i) approximately T(e) can completely cut off the transport when eta greater or similar to 0.6.

Diffusive-convective physical vapor transport of PbTe from a Te-rich solid source

NASA Technical Reports Server (NTRS)

Zoutendyk, J.; Akutagawa, W.

1982-01-01

Crystal growth of PbTe by physical vapor transport (sublimation) in a closed ampoule is governed by the vapor species in thermal equilibrium with the solid compound. Deviations from stoichiometry in the source material cause diffusion limitation of the transport rate, which can be modified by natural (gravity-driven) convection. Mass-transport experiments have been performed using Te-rich material wherein sublimation rates have been measured in order to study the effects of natural convection in diffusion-limited vapor transport. Linear velocities for both crystal growth and evaporation (back sublimation) have been measured for transport in the direction of gravity, horizontally, and opposite to gravity. The experimental results are discussed in terms of both the one-dimensional diffusive-advective model and current, more sophisticated theory which includes natural convection. There is some evidence that convection effects from radial temperature gradients and solutal density gradients have been observed.

Renormalizability of the gradient flow in the 2D O(N) non-linear sigma model

NASA Astrophysics Data System (ADS)

Makino, Hiroki; Suzuki, Hiroshi

2015-03-01

It is known that the gauge field and its composite operators evolved by the Yang-Mills gradient flow are ultraviolet (UV) finite without any multiplicative wave function renormalization. In this paper, we prove that the gradient flow in the 2D O(N) non-linear sigma model possesses a similar property: The flowed N-vector field and its composite operators are UV finite without multiplicative wave function renormalization. Our proof in all orders of perturbation theory uses a (2+1)-dimensional field theoretical representation of the gradient flow, which possesses local gauge invariance without gauge field. As an application of the UV finiteness of the gradient flow, we construct the energy-momentum tensor in the lattice formulation of the O(N) non-linear sigma model that automatically restores the correct normalization and the conservation law in the continuum limit.

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals.

PubMed

Zuehlsdorff, T J; Hine, N D M; Payne, M C; Haynes, P D

2015-11-28

We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on a small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.

Analytic Expressions for the Gravity Gradient Tensor of 3D Prisms with Depth-Dependent Density

NASA Astrophysics Data System (ADS)

Jiang, Li; Liu, Jie; Zhang, Jianzhong; Feng, Zhibing

2017-12-01

Variable-density sources have been paid more attention in gravity modeling. We conduct the computation of gravity gradient tensor of given mass sources with variable density in this paper. 3D rectangular prisms, as simple building blocks, can be used to approximate well 3D irregular-shaped sources. A polynomial function of depth can represent flexibly the complicated density variations in each prism. Hence, we derive the analytic expressions in closed form for computing all components of the gravity gradient tensor due to a 3D right rectangular prism with an arbitrary-order polynomial density function of depth. The singularity of the expressions is analyzed. The singular points distribute at the corners of the prism or on some of the lines through the edges of the prism in the lower semi-space containing the prism. The expressions are validated, and their numerical stability is also evaluated through numerical tests. The numerical examples with variable-density prism and basin models show that the expressions within their range of numerical stability are superior in computational accuracy and efficiency to the common solution that sums up the effects of a collection of uniform subprisms, and provide an effective method for computing gravity gradient tensor of 3D irregular-shaped sources with complicated density variation. In addition, the tensor computed with variable density is different in magnitude from that with constant density. It demonstrates the importance of the gravity gradient tensor modeling with variable density.

Chloride Transport in Porous Lipid Bilayer Membranes

PubMed Central

Andreoli, Thomas E.; Watkins, Mary L.

1973-01-01

This paper describes dissipative Cl- transport in "porous" lipid bilayer membranes, i.e., cholesterol-containing membranes exposed to 1–3 x 10-7 M amphotericin B. P DCl (cm·s-1), the diffusional permeability coefficient for Cl-, estimated from unidirectional 36Cl- fluxes at zero volume flow, varied linearly with the membrane conductance (Gm, Ω-1·cm-2) when the contributions of unstirred layers to the resistance to tracer diffusion were relatively small with respect to the membranes; in 0.05 M NaCl, P DCl was 1.36 x 10-4 cm·s-1 when Gm was 0.02 Ω-1·cm-2. Net chloride fluxes were measured either in the presence of imposed concentration gradients or electrical potential differences. Under both sets of conditions: the values of P DCl computed from zero volume flow experiments described net chloride fluxes; the net chloride fluxes accounted for ∼90–95% of the membrane current density; and, the chloride flux ratio conformed to the Ussing independence relationship. Thus, it is likely that Cl- traversed aqueous pores in these anion-permselective membranes via a simple diffusion process. The zero current membrane potentials measured when the aqueous phases contained asymmetrical NaCl solutions could be expressed in terms of the Goldman-Hodgkin-Katz constant field equation, assuming that the P DNa/P DCl ratio was 0.05. In symmetrical salt solutions, the current-voltage properties of these membranes were linear; in asymmetrical NaCl solutions, the membranes exhibited electrical rectification consistent with constant-field theory. It seems likely that the space charge density in these porous membranes is sufficiently low that the potential gradient within the membranes is approximately linear; and, that the pores are not electrically neutral, presumably because the Debye length within the membrane phase approximates the membrane thickness. PMID:4708408

Properties of Interstellar Turbulence from Gradients of Linear Polarization Maps

NASA Astrophysics Data System (ADS)

Burkhart, Blakesley; Lazarian, A.; Gaensler, B. M.

2012-04-01

Faraday rotation of linearly polarized radio signals provides a very sensitive probe of fluctuations in the interstellar magnetic field and ionized gas density resulting from magnetohydrodynamic (MHD) turbulence. We used a set of statistical tools to analyze images of the spatial gradient of linearly polarized radio emission (|∇P|) for both observational data from a test image of the Southern Galactic Plane Survey (SGPS) and isothermal three-dimensional simulations of MHD turbulence. Visually, in both observations and simulations, a complex network of filamentary structures is seen. Our analysis shows that the filaments in |∇P| can be produced both by interacting shocks and random fluctuations characterizing the non-differentiable field of MHD turbulence. The latter dominates for subsonic turbulence, while the former is only present in supersonic turbulence. We show that supersonic and subsonic turbulence exhibit different distributions as well as different morphologies in the maps of |∇P|. Particularly, filaments produced by shocks show a characteristic "double jump" profile at the sites of shock fronts resulting from delta function-like increases in the density and/or magnetic field, while those produced by subsonic turbulence show a single jump profile. In order to quantitatively characterize these differences, we use the topology tool known as the genus curve as well as the probability distribution function moments of the image distribution. We find that higher values for the moments correspond to cases of |∇P| with larger sonic Mach numbers. The genus analysis of the supersonic simulations of |∇P| reveals a "swiss cheese" topology, while the subsonic cases have characteristics of a "clump" topology. Based on the analysis of the genus and the higher order moments, the SGPS test region data have a distribution and morphology that match subsonic- to transonic-type turbulence, which confirms what is now expected for the warm ionized medium.

Iterative initial condition reconstruction

NASA Astrophysics Data System (ADS)

Schmittfull, Marcel; Baldauf, Tobias; Zaldarriaga, Matias

2017-07-01

Motivated by recent developments in perturbative calculations of the nonlinear evolution of large-scale structure, we present an iterative algorithm to reconstruct the initial conditions in a given volume starting from the dark matter distribution in real space. In our algorithm, objects are first moved back iteratively along estimated potential gradients, with a progressively reduced smoothing scale, until a nearly uniform catalog is obtained. The linear initial density is then estimated as the divergence of the cumulative displacement, with an optional second-order correction. This algorithm should undo nonlinear effects up to one-loop order, including the higher-order infrared resummation piece. We test the method using dark matter simulations in real space. At redshift z =0 , we find that after eight iterations the reconstructed density is more than 95% correlated with the initial density at k ≤0.35 h Mpc-1 . The reconstruction also reduces the power in the difference between reconstructed and initial fields by more than 2 orders of magnitude at k ≤0.2 h Mpc-1 , and it extends the range of scales where the full broadband shape of the power spectrum matches linear theory by a factor of 2-3. As a specific application, we consider measurements of the baryonic acoustic oscillation (BAO) scale that can be improved by reducing the degradation effects of large-scale flows. In our idealized dark matter simulations, the method improves the BAO signal-to-noise ratio by a factor of 2.7 at z =0 and by a factor of 2.5 at z =0.6 , improving standard BAO reconstruction by 70% at z =0 and 30% at z =0.6 , and matching the optimal BAO signal and signal-to-noise ratio of the linear density in the same volume. For BAO, the iterative nature of the reconstruction is the most important aspect.

Development and validation of a critical gradient energetic particle driven Alfven eigenmode transport model for DIII-D tilted neutral beam experiments

DOE PAGES

Waltz, Ronald E.; Bass, Eric M.; Heidbrink, William W.; ...

2015-10-30

Recent experiments with the DIII-D tilted neutral beam injection (NBI) varying the beam energetic particle (EP) source profiles have provided strong evidence that unstable Alfven eigenmodes (AE) drive stiff EP transport at a critical EP density gradient. Here the critical gradient is identified by the local AE growth rate being equal to the local ITG/TEM growth rate at the same low toroidal mode number. The growth rates are taken from the gyrokinetic code GYRO. Simulation show that the slowing down beam-like EP distribution has a slightly lower critical gradient than the Maxwellian. The ALPHA EP density transport code, used tomore » validate the model, combines the low-n stiff EP critical density gradient AE mid-core transport with the energy independent high-n ITG/TEM density transport model controling the central core EP density profile. For the on-axis NBI heated DIII-D shot 146102, while the net loss to the edge is small, about half the birth fast ions are transported from the central core r/a < 0.5 and the central density is about half the slowing down density. Lastly, these results are in good agreement with experimental fast ion pressure profiles inferred from MSE constrained EFIT equilibria.« less

ILUBCG2-11: Solution of 11-banded nonsymmetric linear equation systems by a preconditioned biconjugate gradient routine

NASA Astrophysics Data System (ADS)

Chen, Y.-M.; Koniges, A. E.; Anderson, D. V.

1989-10-01

The biconjugate gradient method (BCG) provides an attractive alternative to the usual conjugate gradient algorithms for the solution of sparse systems of linear equations with nonsymmetric and indefinite matrix operators. A preconditioned algorithm is given, whose form resembles the incomplete L-U conjugate gradient scheme (ILUCG2) previously presented. Although the BCG scheme requires the storage of two additional vectors, it converges in a significantly lesser number of iterations (often half), while the number of calculations per iteration remains essentially the same.

Density Waves in Saturn's Rings from Cassini Radio Occultations

NASA Astrophysics Data System (ADS)

French, R. G.; Rappaport, N. J.; Marouf, E. A.; McGhee, C. A.

2005-12-01

The Cassini Radio Science Team conducted a set of optimized diametric occultations by Saturn and its rings from May to September 2005, providing 11 separate probes of Saturn's ionosphere and atmosphere, and 12 optical depth profiles of the complete ring system. Each event was observed by the stations of the Deep Space Net (DSN) at three radio frequencies (S, X, Ka bands, with corresponding wavelengths of ? = 13, 3.6, and 0.9 cm). Very accurate pointing by the spacecraft and ground antennas resulted in stable baseline signal levels, and the relatively large ring opening angle (B=19-25°) permitted us to probe even quite dense ring regions with excellent SNR. The RSS occultation technique enables us to recover very fine detailed radial structure by correcting for diffraction effects. Multiple occultation chords, covering a variety of ring longitudes and ring opening angles, reveal the structure of the rings in remarkable detail, including density and bending waves, satellite wakes, and subtle variations at the 100-m radius scale. Janus and Epimetheus are responsible for a particularly rich set of density waves, and their coorbital interactions result in a complex interplay of time-variable ring structure over the 8-year libration period of the two satellites. We compare the first-order 2:1, 4:3, 5:4, and 6:5 coorbital density waves from multiple occultation chords to linear density wave models based on a dynamical model of the orbital exchange between the moons. From the observed dispersion relation of the wave crests, we infer the surface mass density and eccentricity gradient of particle streamlines, and match the detailed shapes of the wave crests using a non-linear analysis. Second-order coorbital features are also evident, and there are even hints of third-order density waves in the high SNR radio occultation data.

X-ray tomography characterization of density gradient aerogel in laser targets

NASA Astrophysics Data System (ADS)

Borisenko, L.; Orekhov, A.; Musgrave, C.; Nazarov, W.; Merkuliev, Yu; Borisenko, N.

2016-04-01

The low-density solid laser target characterization studies begun with the SkyScan 1074 computer microtomograph (CMT) [1, 2] are now continued with higher resolution of SkyScan 1174. The research is particularly focused on the possibility to obtain, control and measure precisely the gradient density polymers for laser target production. Repeatability of the samples and possibility to obtain stable gradients are analysed. The measurements were performed on the mm-scale divinyl benzene (DVB) rods.

Interconfigurational energies in transition-metal atoms using gradient-corrected density-functional theory

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

Kutzler, F.W.; Painter, G.S.

1991-03-15

The rapid variation of charge and spin densities in atoms and molecules provides a severe test for local-density-functional theory and for the use of gradient corrections. In the study reported in this paper, we use the Langreth, Mehl, and Hu (LMH) functional and the generalized gradient approximation (GGA) of Perdew and Yue to calculate {ital s}-{ital d} transition energies, 4{ital s} ionization energies, and 3{ital d} ionization energies for the 3{ital d} transition-metal atoms. These calculations are compared with results from the local-density functional of Vosko, Wilk, and Nusair. By comparison with experimental energies, we find that the gradient functionalsmore » are only marginally more successful than the local-density approximation in calculating energy differences between states in transition-metal atoms. The GGA approximation is somewhat better than the LMH functional for most of the atoms studied, although there are several exceptions.« less

Semi-local machine-learned kinetic energy density functional with third-order gradients of electron density

NASA Astrophysics Data System (ADS)

Seino, Junji; Kageyama, Ryo; Fujinami, Mikito; Ikabata, Yasuhiro; Nakai, Hiromi

2018-06-01

A semi-local kinetic energy density functional (KEDF) was constructed based on machine learning (ML). The present scheme adopts electron densities and their gradients up to third-order as the explanatory variables for ML and the Kohn-Sham (KS) kinetic energy density as the response variable in atoms and molecules. Numerical assessments of the present scheme were performed in atomic and molecular systems, including first- and second-period elements. The results of 37 conventional KEDFs with explicit formulae were also compared with those of the ML KEDF with an implicit formula. The inclusion of the higher order gradients reduces the deviation of the total kinetic energies from the KS calculations in a stepwise manner. Furthermore, our scheme with the third-order gradient resulted in the closest kinetic energies to the KS calculations out of the presented functionals.

Internal transport barriers in the National Spherical Torus Experimenta)

NASA Astrophysics Data System (ADS)

Yuh, H. Y.; Levinton, F. M.; Bell, R. E.; Hosea, J. C.; Kaye, S. M.; LeBlanc, B. P.; Mazzucato, E.; Peterson, J. L.; Smith, D. R.; Candy, J.; Waltz, R. E.; Domier, C. W.; Luhmann, N. C.; Lee, W.; Park, H. K.

2009-05-01

In the National Spherical Torus Experiment [M. Ono et al., Nucl. Fusion 41, 1435 (2001)], internal transport barriers (ITBs) are observed in reversed (negative) shear discharges where diffusivities for electron and ion thermal channels and momentum are reduced. While neutral beam heating can produce ITBs in both electron and ion channels, high harmonic fast wave heating can also produce electron ITBs (e-ITBs) under reversed magnetic shear conditions without momentum input. Interestingly, the location of the e-ITB does not necessarily match that of the ion ITB (i-ITB). The e-ITB location correlates best with the magnetic shear minima location determined by motional Stark effect constrained equilibria, whereas the i-ITB location better correlates with the location of maximum E ×B shearing rate. Measured electron temperature gradients in the e-ITB can exceed critical gradients for the onset of electron thermal gradient microinstabilities calculated by linear gyrokinetic codes. A high-k microwave scattering diagnostic shows locally reduced density fluctuations at wave numbers characteristic of electron turbulence for discharges with strongly negative magnetic shear versus weakly negative or positive magnetic shear. Reductions in fluctuation amplitude are found to be correlated with the local value of magnetic shear. These results are consistent with nonlinear gyrokinetic simulations predicting a reduction in electron turbulence under negative magnetic shear conditions despite exceeding critical gradients.

Density gradients at hydrogel interfaces for enhanced cell penetration.

PubMed

Simona, B R; Hirt, L; Demkó, L; Zambelli, T; Vörös, J; Ehrbar, M; Milleret, V

2015-04-01

We report that stiffness gradients facilitate infiltration of cells through otherwise cell-impermeable hydrogel interfaces. By enabling the separation of hydrogel manufacturing and cell seeding, and by improving cell colonization of additively manufactured hydrogel elements, interfacial density gradients present a promising strategy to progress in the creation of 3D tissue models.

Momentum and buoyancy transfer in atmospheric turbulent boundary layer over wavy water surface - Part 1: Harmonic wave

NASA Astrophysics Data System (ADS)

Troitskaya, Yu. I.; Ezhova, E. V.; Zilitinkevich, S. S.

2013-10-01

The surface-drag and mass-transfer coefficients are determined within a self-consistent problem of wave-induced perturbations and mean fields of velocity and density in the air, using a quasi-linear model based on the Reynolds equations with down-gradient turbulence closure. Investigation of a harmonic wave propagating along the wind has disclosed that the surface drag is generally larger for shorter waves. This effect is more pronounced in the unstable and neutral stratification. The stable stratification suppresses turbulence, which leads to weakening of the momentum and mass transfer.

Theoretical investigation of the weak interaction between graphene and alcohol solvents

NASA Astrophysics Data System (ADS)

Wang, Haining; Chen, Sian; Lu, Shanfu; Xiang, Yan

2017-05-01

The dispersion of graphene in five different alcohol solvents was investigated by evaluating the binding energy between graphene and alcohol molecules using DFT-D method. The calculation showed the most stable binding energy appeared at the distance of ∼3.5 Å between graphene and alcohol molecules and increased linearly as changing the alcohol from methanol to 1-pentanol. The weak interaction was further graphically illustrated using the reduced density gradient method. The theoretical study revealed alcohols with more carbon atoms could be a good starting point for screening suitable solvents for graphene dispersion.

Parallel inhomogeneity and the Alfven resonance. 1: Open field lines

NASA Technical Reports Server (NTRS)

Hansen, P. J.; Harrold, B. G.

1994-01-01

In light of a recent demonstration of the general nonexistence of a singularity at the Alfven resonance in cold, ideal, linearized magnetohydrodynamics, we examine the effect of a small density gradient parallel to uniform, open ambient magnetic field lines. To lowest order, energy deposition is quantitatively unaffected but occurs continuously over a thickened layer. This effect is illustrated in a numerical analysis of a plasma sheet boundary layer model with perfectly absorbing boundary conditions. Consequences of the results are discussed, both for the open field line approximation and for the ensuing closed field line analysis.

Vibrational and Thermal Properties of Oxyanionic Crystals

NASA Astrophysics Data System (ADS)

Korabel'nikov, D. V.

2018-03-01

The vibrational and thermal properties of dolomite and alkali chlorates and perchlorates were studied in the gradient approximation of density functional theory using the method of a linear combination of atomic orbitals (LCAO). Long-wave vibration frequencies, IR and Raman spectra, and mode Gruneisen parameters were calculated. Equation-of-state parameters, thermodynamic potentials, entropy, heat capacity, and thermal expansion coefficient were also determined. The thermal expansion coefficient of dolomite was established to be much lower than for chlorates and perchlorates. The temperature dependence of the heat capacity at T > 200 K was shown to be generally governed by intramolecular vibrations.

Redshift-space distortions around voids

NASA Astrophysics Data System (ADS)

Cai, Yan-Chuan; Taylor, Andy; Peacock, John A.; Padilla, Nelson

2016-11-01

We have derived estimators for the linear growth rate of density fluctuations using the cross-correlation function (CCF) of voids and haloes in redshift space. In linear theory, this CCF contains only monopole and quadrupole terms. At scales greater than the void radius, linear theory is a good match to voids traced out by haloes; small-scale random velocities are unimportant at these radii, only tending to cause small and often negligible elongation of the CCF near its origin. By extracting the monopole and quadrupole from the CCF, we measure the linear growth rate without prior knowledge of the void profile or velocity dispersion. We recover the linear growth parameter β to 9 per cent precision from an effective volume of 3( h-1Gpc)3 using voids with radius >25 h-1Mpc. Smaller voids are predominantly sub-voids, which may be more sensitive to the random velocity dispersion; they introduce noise and do not help to improve measurements. Adding velocity dispersion as a free parameter allows us to use information at radii as small as half of the void radius. The precision on β is reduced to 5 per cent. Voids show diverse shapes in redshift space, and can appear either elongated or flattened along the line of sight. This can be explained by the competing amplitudes of the local density contrast, plus the radial velocity profile and its gradient. The distortion pattern is therefore determined solely by the void profile and is different for void-in-cloud and void-in-void. This diversity of redshift-space void morphology complicates measurements of the Alcock-Paczynski effect using voids.

Merging Features and Optical-Near Infrared Color Gradients of Early-type Galaxies

NASA Astrophysics Data System (ADS)

Kim, Duho; Im, M.

2012-01-01

It has been suggested that merging plays an important role in the formation and the evolution of early-type galaxies (ETGs). Optical-NIR color gradients of ETGs in high density environments are found to be less steep than those of ETGs in low density environments, hinting frequent merger activities in ETGs in high density environments. In order to examine if the flat color gradients are the result of dry mergers, we studied the relations between merging features, color gradient, and environments of 198 low redshift ETGs selected from Sloan Digital Sky Survey (SDSS) Stripe82. Near Infrared (NIR) images are taken from UKIRT Infrared Deep Sky Survey (UKIDSS) Large Area Survey (LAS). Color(r-K) gradients of ETGs with tidal features are a little flatter than relaxed ETGs, but not significant. We found that massive (>1011.3 M⊙) relaxed ETGs have 2.5 times less scattered color gradients than less massive ETGs. The less scattered color gradients of massive ETGs could be evidence of dry merger processes in the evolution of massive ETGs. We found no relation between color gradients of ETGs and their environments.

Rapid analysis of charge variants of monoclonal antibodies using non-linear salt gradient in cation-exchange high performance liquid chromatography.

PubMed

Joshi, Varsha; Kumar, Vijesh; Rathore, Anurag S

2015-08-07

A method is proposed for rapid development of a short, analytical cation exchange high performance liquid chromatography method for analysis of charge heterogeneity in monoclonal antibody products. The parameters investigated and optimized include pH, shape of elution gradient and length of the column. It is found that the most important parameter for development of a shorter method is the choice of the shape of elution gradient. In this paper, we propose a step by step approach to develop a non-linear sigmoidal shape gradient for analysis of charge heterogeneity for two different monoclonal antibody products. The use of this gradient not only decreases the run time of the method to 4min against the conventional method that takes more than 40min but also the resolution is retained. Superiority of the phosphate gradient over sodium chloride gradient for elution of mAbs is also observed. The method has been successfully evaluated for specificity, sensitivity, linearity, limit of detection, and limit of quantification. Application of this method as a potential at-line process analytical technology tool has been suggested. Copyright © 2015 Elsevier B.V. All rights reserved.

Method and means for a spatial and temporal probe for laser-generated plumes based on density gradients

DOEpatents

Yeung, Edward S.; Chen, Guoying

1990-05-01

A method and means for a spatial and temporal probe for laser generated plumes based on density gradients includes generation of a plume of vaporized material from a surface by an energy source. The probe laser beam is positioned so that the plume passes through the probe laser beam. Movement of the probe laser beam caused by refraction from the density gradient of the plume is monitored. Spatial and temporal information, correlated to one another, is then derived.

Non-contact transportation system of small objects using Ultrasonic Waveguides

NASA Astrophysics Data System (ADS)

Nakamura, K.; Koyama, D.

2012-12-01

A transportation system for small object or fluid without contact is investigated being based on ultrasonic levitation. Small objects are suspended against gravity at the nodal points in ultrasonic pressure field due to the sound radiation force generated as the gradient of the energy density of the field. In this study, the trapped object is transported in the horizontal plane by introducing the spatial shift of the standing waves by the switching the lateral modes or travelling waves. The goal of the study is to establish a technology which can provide a total system with the flexibility in composing various transportation paths. Methods for linear/rotary stepping motions and continuous linear transportation are explained in this report. All the transportation tracks are composed of a bending vibrator and a reflector. The design for these acoustic cavity/waveguide is discussed.

Product suitability of wood...determined by density gradients across growth rings

Treesearch

Robert M. Echols

1972-01-01

The suitability of wood for various uses can be determined by synthesizing single growth-ring density curves from accumulated means of wood density classes. Wood density gradients across growth rings were measured in large increment cores from 46-year-old ponderosa pines (Pinus ponderosa Laws.) by using X-rays. Of the 48 trees analyzed, 36 had been...

Turbulent particle transport as a function of toroidal rotation in DIII-D H-mode plasmas

DOE PAGES

Wang, Xin; Mordijck, Saskia; Zeng, Lei; ...

2016-03-01

In this paper we show how changes in toroidal rotation, by controlling the injected torque, affect particle transport and confinement. The toroidal rotation is altered using the co- and counter neutral beam injection (NBI) in low collisionality H-mode plasmas on DIII-D with dominant electron cyclotron heating (ECH). We find that there is no correlation between the toroidal rotation shear and the inverse density gradient, which is observed on AUG whenmore » $${{T}_{\\text{e}}}/{{T}_{\\text{i}}}$$ is varied using ECH (Angioni et al 2011 Phys. Rev. Lett. 107 215003). In DIII-D, we find that in a discharge with balanced torque injection, the $$E\\times B$$ shear is smaller than the linear gyrokinetic growth rate for small $${{k}_{\\theta}}{{\\rho}_{s}}$$ for $$\\rho =0.6$$ –0.85. This results in lower particle confinement. In the co- and counter- injected discharges the $$E\\times B$$ shear is larger or close to the linear growth rate at the plasma edge and both configurations have higher particle confinement. In order to measure particle transport, we use a small periodic perturbative gas puff. This gas puff perturbs the density profiles and allows us to extract the perturbed diffusion and inward pinch coefficients. We observe a strong increase in the inward particle pinch in the counter-torque injected plasma. Lastly, the calculated quasi-linear particle flux, nor the linear growth rates using TGLF agree with experimental observations.« less

Numerical Study on Density Gradient Carbon-Carbon Composite for Vertical Launching System

NASA Astrophysics Data System (ADS)

Yoon, Jin-Young; Kim, Chun-Gon; Lim, Juhwan

2018-04-01

This study presents new carbon-carbon (C/C) composite that has a density gradient within single material, and estimates its heat conduction performance by a numerical method. To address the high heat conduction of a high-density C/C, which can cause adhesion separation in the steel structures of vertical launching systems, density gradient carbon-carbon (DGCC) composite is proposed due to its exhibiting low thermal conductivity as well as excellent ablative resistance. DGCC is manufactured by hybridizing two different carbonization processes into a single carbon preform. One part exhibits a low density using phenolic resin carbonization to reduce heat conduction, and the other exhibits a high density using thermal gradient-chemical vapor infiltration for excellent ablative resistance. Numerical analysis for DGCC is performed with a heat conduction problem, and internal temperature distributions are estimated by the forward finite difference method. Material properties of the transition density layer, which is inevitably formed during DGCC manufacturing, are assumed to a combination of two density layers for numerical analysis. By comparing numerical results with experimental data, we validate that DGCC exhibits a low thermal conductivity, and it can serve as highly effective ablative material for vertical launching systems.

Application of a chromatography model with linear gradient elution experimental data to the rapid scale-up in ion-exchange process chromatography of proteins.

PubMed

Ishihara, Takashi; Kadoya, Toshihiko; Yamamoto, Shuichi

2007-08-24

We applied the model described in our previous paper to the rapid scale-up in the ion exchange chromatography of proteins, in which linear flow velocity, column length and gradient slope were changed. We carried out linear gradient elution experiments, and obtained data for the peak salt concentration and peak width. From these data, the plate height (HETP) was calculated as a function of the mobile phase velocity and iso-resolution curve (the separation time and elution volume relationship for the same resolution) was calculated. The scale-up chromatography conditions were determined by the iso-resolution curve. The scale-up of the linear gradient elution from 5 to 100mL and 2.5L column sizes was performed both by the separation of beta-lactoglobulin A and beta-lactoglobulin B with anion-exchange chromatography and by the purification of a recombinant protein with cation-exchange chromatography. Resolution, recovery and purity were examined in order to verify the proposed method.

Preliminary isostatic gravity map of the Sonoma volcanic field and vicinity, Sonoma and Napa Counties, California

USGS Publications Warehouse

Langenheim, V.E.; Roberts, C.W.; McCabe, C.A.; McPhee, D.K.; Tilden, J.E.; Jachens, R.C.

2006-01-01

This isostatic residual gravity map is part of a three-dimensional mapping effort focused on the subsurface distribution of rocks of the Sonoma volcanic field in Napa and Sonoma counties, northern California. This map will serve as a basis for modeling the shapes of basins beneath the Santa Rosa Plain and Napa and Sonoma Valleys, and for determining the location and geometry of faults within the area. Local spatial variations in the Earth's gravity field (after accounting for variations caused by elevation, terrain, and deep crustal structure explained below) reflect the distribution of densities in the mid to upper crust. Densities often can be related to rock type, and abrupt spatial changes in density commonly mark lithologic boundaries. High-density basement rocks exposed within the northern San Francisco Bay area include those of the Mesozoic Franciscan Complex and Great Valley Sequence present in the mountainous areas of the quadrangle. Alluvial sediment and Tertiary sedimentary rocks are characterized by low densities. However, with increasing depth of burial and age, the densities of these rocks may become indistinguishable from those of basement rocks. Tertiary volcanic rocks are characterized by a wide range in densities, but, on average, are less dense than the Mesozoic basement rocks. Isostatic residual gravity values within the map area range from about -41 mGal over San Pablo Bay to about 11 mGal near Greeg Mountain 10 km east of St. Helena. Steep linear gravity gradients are coincident with the traces of several Quaternary strike-slip faults, most notably along the West Napa fault bounding the west side of Napa Valley, the projection of the Hayward fault in San Pablo Bay, the Maacama Fault, and the Rodgers Creek fault in the vicinity of Santa Rosa. These gradients result from juxtaposing dense basement rocks against thick Tertiary volcanic and sedimentary rocks.

Density functional theory for molecular and periodic systems using density fitting and continuous fast multipole method: Analytical gradients.

PubMed

Łazarski, Roman; Burow, Asbjörn Manfred; Grajciar, Lukáš; Sierka, Marek

2016-10-30

A full implementation of analytical energy gradients for molecular and periodic systems is reported in the TURBOMOLE program package within the framework of Kohn-Sham density functional theory using Gaussian-type orbitals as basis functions. Its key component is a combination of density fitting (DF) approximation and continuous fast multipole method (CFMM) that allows for an efficient calculation of the Coulomb energy gradient. For exchange-correlation part the hierarchical numerical integration scheme (Burow and Sierka, Journal of Chemical Theory and Computation 2011, 7, 3097) is extended to energy gradients. Computational efficiency and asymptotic O(N) scaling behavior of the implementation is demonstrated for various molecular and periodic model systems, with the largest unit cell of hematite containing 640 atoms and 19,072 basis functions. The overall computational effort of energy gradient is comparable to that of the Kohn-Sham matrix formation. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Tripolar vortex formation in dense quantum plasma with ion-temperature-gradients

NASA Astrophysics Data System (ADS)

Qamar, Anisa; Ata-ur-Rahman, Mirza, Arshad M.

2012-05-01

We have derived system of nonlinear equations governing the dynamics of low-frequency electrostatic toroidal ion-temperature-gradient mode for dense quantum magnetoplasma. For some specific profiles of the equilibrium density, temperature, and ion velocity gradients, the nonlinear equations admit a stationary solution in the form of a tripolar vortex. These results are relevant to understand nonlinear structure formation in dense quantum plasmas in the presence of equilibrium ion-temperature and density gradients.

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

Parker, Scott; Chen, Yang

This is the Final Technical Report for University of Colorado's portion of the SciDAC project 'Center for Gyrokinetic Particle Simulation of Turbulent Transport.' This is funded as a multi-institutional SciDAC Center and W.W. Lee at the Princeton Plasma Physics Laboratory is the lead Principal Investigator. Scott Parker is the local Principal Investigator for University of Colorado and Yang Chen is a Co-Principal Investigator. This is Cooperative Agreement DE-FC02-05ER54816. Research personnel include Yang Chen (Senior Research Associate), Jianying Lang (Graduate Research Associate, Ph.D. Physics Student) and Scott Parker (Associate Professor). Research includes core microturbulence studies of NSTX, simulation of trapped electronmore » modes, development of efficient particle-continuum hybrid methods and particle convergence studies of electron temperature gradient driven turbulence simulations. Recently, the particle-continuum method has been extended to five-dimensions in GEM. We find that actually a simple method works quite well for the Cyclone base case with either fully kinetic or adiabatic electrons. Particles are deposited on a 5D phase-space grid using nearest-grid-point interpolation. Then, the value of delta-f is reset, but not the particle's trajectory. This has the effect of occasionally averaging delta-f of nearby (in the phase space) particles. We are currently trying to estimate the dissipation (or effective collision operator). We have been using GEM to study turbulence and transport in NSTX with realistic equilibrium density and temperature profiles, including impurities, magnetic geometry and ExB shear flow. Greg Rewoldt, PPPL, has developed a TRANSP interface for GEM that specifies the equilibrium profiles and parameters needed to run realistic NSTX cases. Results were reported at the American Physical Society - Division of Plasma Physics, and we are currently running convergence studies to ensure physical results. We are also studying the effect of parallel shear flows, which can be quite strong in NSTX. Recent long-time simulations of electron temperature gradient driven turbulence, show that zonal flows slowly grow algebraically via the Rosenbluth-Hinton random walk mechanism. Eventually, the zonal flow gets to a level where it shear suppresses the turbulence. We have demonstrated this behavior with Cyclone base-case parameters, except with a 30% lower temperature gradient. We can demonstrate the same phenomena at higher gradients, but so far, have been unable to get a converged result at the higher temperature gradient. We find that electron ion collisions cause the zonal flows to grow at a slower rate and results in a higher heat flux. So, far all ETG simulations that come to a quasi-steady state show continued build up of zonal flow, see it appears to be a universal phenomena (for ETG). Linear and nonlinear simulations of Collisional and Collisionless trapped electron modes are underway. We find that zonal flow is typically important. We can, however, reproduce the Tannert and Jenko result (that zonal flow is unimportant) using their parameters with the electron temperature three times the ion temperature. For a typical weak gradient core value of density gradient and no temperature gradient, the CTEM is dominant. However, for a steeper density gradient (and still no temperature gradient), representative of the edge, higher k drift-waves are dominant. For the weaker density gradient core case, nonlinear simulations using GEM are routine. For the steeper gradient edge case, the nonlinear fluctuations are very high and a stationary state has not been obtained. This provides motivation for the particle-continuum algorithm. We also note that more physics, e.g. profile variation and equilibrium ExB shear flow should be significantly stabilizing, making such simulations feasible using standard delta-f techniques. This research is ongoing.« less

Generalization of the van der Pauw Method: Analyzing Longitudinal Magnetoresistance Asymmetry to Quantify Doping Gradients

NASA Astrophysics Data System (ADS)

Grayson, M.; Zhou, Wang; Yoo, Heun-Mo; Prabhu-Gaunkar, S.; Tiemann, L.; Reichl, C.; Wegscheider, W.

A longitudinal magnetoresistance asymmetry (LMA) between a positive and negative magnetic field is known to occur in both the extreme quantum limit and the classical Drude limit in samples with a nonuniform doping density. By analyzing the current stream function in van der Pauw measurement geometry, it is shown that the electron density gradient can be quantitatively deduced from this LMA in the Drude regime. Results agree with gradients interpolated from local densities calibrated across an entire wafer, establishing a generalization of the van der Pauw method to quantify density gradients. Results will be shown of various semoconductor systems where this method is applied, from bulk doped semiconductors, to exfoliated 2D materials. McCormick Catalyst Award from Northwestern University, EECS Bridge Funding, and AFOSR FA9550-15-1-0247.

Preliminary isostatic gravity map of the Grouse Creek and east part of the Jackpot 30 by 60 quadrangles, Box Elder County, Utah, and Cassia County, Idaho

USGS Publications Warehouse

Langenheim, Victoria; Willis, H.; Athens, N.D.; Chuchel, Bruce A.; Roza, J.; Hiscock, H.I.; Hardwick, C.L.; Kraushaar, S.M.; Knepprath, N.E.; Rosario, Jose J.

2013-01-01

A new isostatic residual gravity map of the northwest corner of Utah is based on compilation of preexisting data and new data collected by the Utah and United States Geological Surveys. Pronounced gravity lows occur over Junction, Grouse Creek, and upper Raft River Valleys, indicating significant thickness of low-density Tertiary sedimentary rocks and deposits. Gravity highs coincide with exposures of dense pre-Cenozoic rocks in the Raft River Mountains. Higher values in the eastern part of the map may be produced in part by deeper crustal density variations or crustal thinning. Steep linear gravity gradients coincide with mapped Neogene normal faults near Goose Creek and may define basin-bounding faults concealed beneath Junction and Upper Raft River Valleys.

Full-Potential Calculation of Structural, Electronic, and Thermodynamic Properties of Fluoroperovskite { CsMF}3 (M = Be and Mg)

NASA Astrophysics Data System (ADS)

Harmel, M.; Khachai, H.; Ameri, A.; Baki, N.; Haddou, A.; Khalfa, M.; Abbar, B.; Omran, S. Bin; Uğur, G.; Uğur, Ş.; Khenata, R.

2012-12-01

The structural and electronic properties of the cubic fluoroperoveskite { CsBeF}3 and { CsMgF}3 have been investigated using the full-potential-linearized augmented plane wave method within the density functional theory. The exchange-correlation potential was treated with the local density approximation and the generalized gradient approximation. The calculations of the electronic band structures show that { CsBeF}_{3 } has an indirect bandgap, whereas { CsMgF}3 has a direct bandgap. Through the quasi-harmonic Debye model, in which the phononic effects are considered, the effect of pressure P and temperature T on the lattice parameter, bulk modulus, thermal expansion coefficient, Debye temperature, and the heat capacity for { CsBeF}3 and { CsMgF}3 compounds are investigated for the first time.

Structural, electronic and magnetic properties of metal thiophosphate InPS4

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Nayak, Vikas; Kumari, Meena; Yadav, Priya; Nautiyal, Shashank; Verma, U. P.

2017-05-01

The non-centrosymmetric crystal, InPS4, has been investigated by means of density functional theory (DFT). In this paper we have calculated the structural parameters, electronic band structures, density of states plot and magnetic properties using full potential linearized augmented plane wave (FP-LAPW) method. The exchange correlation has been solved employing the generalised gradient approximation due to Perdew-Burke-Ernzerhof. The calculations are performed both without spin as well as spin polarized. The results show that InPS4 is an indirect band gap semiconductor with (N-Г) energy gap of 2.32eV (without spin) and 1.86eV in spin up and down channels.The obtained lattice parameters and energy gap agree well with the experimental results. Our reported magnetic moment results show that the property of InPS4is nonmagnetic.

Ultra-sensitive pressure dependence of bandgap of rutile-GeO2 revealed by many body perturbation theory.

PubMed

Samanta, Atanu; Jain, Manish; Singh, Abhishek K

2015-08-14

The reported values of bandgap of rutile GeO2 calculated by the standard density functional theory within local-density approximation (LDA)/generalized gradient approximation (GGA) show a wide variation (∼2 eV), whose origin remains unresolved. Here, we investigate the reasons for this variation by studying the electronic structure of rutile-GeO2 using many-body perturbation theory within the GW framework. The bandgap as well as valence bandwidth at Γ-point of rutile phase shows a strong dependence on volume change, which is independent of bandgap underestimation problem of LDA/GGA. This strong dependence originates from a change in hybridization among O-p and Ge-(s and p) orbitals. Furthermore, the parabolic nature of first conduction band along X-Γ-M direction changes towards a linear dispersion with volume expansion.

Temperature Gradients on the Cell Wall in the Critical Viscosity Experiment

NASA Technical Reports Server (NTRS)

Berg, Robert F.; Moldover, Michael R.

1993-01-01

Because of the diverging susceptibility delta rho/delta Tau near the liquid-vapor critical point, temperature gradients must be kept small to maintain adequate sample homogeneity. In our Science Requirements Document we paid particular attention to radial density gradients caused by equilibration of the xenon sample. Axial density gradients were addressed through the requirement that the cell's copper wall have a gradient less than 22 microK/m. This report re-examines the cell wall's temperature distribution in more detail by estimating all known significant contributions to temperature differences on the cell's wall.

Nanostructured high-energy cathode materials for advanced lithium batteries

NASA Astrophysics Data System (ADS)

Sun, Yang-Kook; Chen, Zonghai; Noh, Hyung-Joo; Lee, Dong-Ju; Jung, Hun-Gi; Ren, Yang; Wang, Steve; Yoon, Chong Seung; Myung, Seung-Taek; Amine, Khalil

2012-11-01

Nickel-rich layered lithium transition-metal oxides, LiNi1-xMxO2 (M = transition metal), have been under intense investigation as high-energy cathode materials for rechargeable lithium batteries because of their high specific capacity and relatively low cost. However, the commercial deployment of nickel-rich oxides has been severely hindered by their intrinsic poor thermal stability at the fully charged state and insufficient cycle life, especially at elevated temperatures. Here, we report a nickel-rich lithium transition-metal oxide with a very high capacity (215 mA h g-1), where the nickel concentration decreases linearly whereas the manganese concentration increases linearly from the centre to the outer layer of each particle. Using this nano-functional full-gradient approach, we are able to harness the high energy density of the nickel-rich core and the high thermal stability and long life of the manganese-rich outer layers. Moreover, the micrometre-size secondary particles of this cathode material are composed of aligned needle-like nanosize primary particles, resulting in a high rate capability. The experimental results suggest that this nano-functional full-gradient cathode material is promising for applications that require high energy, long calendar life and excellent abuse tolerance such as electric vehicles.

Nanostructured high-energy cathode materials for advanced lithium batteries.

PubMed

Sun, Yang-Kook; Chen, Zonghai; Noh, Hyung-Joo; Lee, Dong-Ju; Jung, Hun-Gi; Ren, Yang; Wang, Steve; Yoon, Chong Seung; Myung, Seung-Taek; Amine, Khalil

2012-11-01

Nickel-rich layered lithium transition-metal oxides, LiNi(1-x)M(x)O(2) (M = transition metal), have been under intense investigation as high-energy cathode materials for rechargeable lithium batteries because of their high specific capacity and relatively low cost. However, the commercial deployment of nickel-rich oxides has been severely hindered by their intrinsic poor thermal stability at the fully charged state and insufficient cycle life, especially at elevated temperatures. Here, we report a nickel-rich lithium transition-metal oxide with a very high capacity (215 mA h g(-1)), where the nickel concentration decreases linearly whereas the manganese concentration increases linearly from the centre to the outer layer of each particle. Using this nano-functional full-gradient approach, we are able to harness the high energy density of the nickel-rich core and the high thermal stability and long life of the manganese-rich outer layers. Moreover, the micrometre-size secondary particles of this cathode material are composed of aligned needle-like nanosize primary particles, resulting in a high rate capability. The experimental results suggest that this nano-functional full-gradient cathode material is promising for applications that require high energy, long calendar life and excellent abuse tolerance such as electric vehicles.

Composition and structure of Pinus koraiensis mixed forest respond to spatial climatic changes.

PubMed

Zhang, Jingli; Zhou, Yong; Zhou, Guangsheng; Xiao, Chunwang

2014-01-01

Although some studies have indicated that climate changes can affect Pinus koraiensis mixed forest, the responses of composition and structure of Pinus koraiensis mixed forests to climatic changes are unknown and the key climatic factors controlling the composition and structure of Pinus koraiensis mixed forest are uncertain. Field survey was conducted in the natural Pinus koraiensis mixed forests along a latitudinal gradient and an elevational gradient in Northeast China. In order to build the mathematical models for simulating the relationships of compositional and structural attributes of the Pinus koraiensis mixed forest with climatic and non-climatic factors, stepwise linear regression analyses were performed, incorporating 14 dependent variables and the linear and quadratic components of 9 factors. All the selected new models were computed under the +2°C and +10% precipitation and +4°C and +10% precipitation scenarios. The Max Temperature of Warmest Month, Mean Temperature of Warmest Quarter and Precipitation of Wettest Month were observed to be key climatic factors controlling the stand densities and total basal areas of Pinus koraiensis mixed forest. Increased summer temperatures and precipitations strongly enhanced the stand densities and total basal areas of broadleaf trees but had little effect on Pinus koraiensis under the +2°C and +10% precipitation scenario and +4°C and +10% precipitation scenario. These results show that the Max Temperature of Warmest Month, Mean Temperature of Warmest Quarter and Precipitation of Wettest Month are key climatic factors which shape the composition and structure of Pinus koraiensis mixed forest. Although the Pinus koraiensis would persist, the current forests dominated by Pinus koraiensis in the region would all shift and become broadleaf-dominated forests due to the dramatic increase of broadleaf trees under the future global warming and increased precipitation.

DNA of a Human Hepatitis B Virus Candidate

PubMed Central

Robinson, William S.; Clayton, David A.; Greenman, Richard L.

1974-01-01

Particles containing DNA polymerase (Dane particles) were purified from the plasma of chronic carriers of hepatitis B antigen. After a DNA polymerase reaction with purified Dane particle preparations treated with Nonidet P-40 detergent, Dane particle core structures containing radioactive DNA product were isolated by sedimentation in a sucrose density gradient. The radioactive DNA was extracted with sodium dodecyl sulfate and isolated by band sedimentation in a preformed CsCl gradient. Examination of the radioactive DNA band by electron microscopy revealed exclusively circular double-stranded DNA molecules approximately 0.78 μm in length. Identical circular molecules were observed when DNA was isolated by a similar procedure from particles that had not undergone a DNA polymerase reaction. The molecules were completely degraded by DNase 1. When Dane particle core structures were treated with DNase 1 before DNA extraction, only 0.78-μm circular DNA molecules were detected. Without DNase treatment of core structures, linear molecules with lengths between 0.5 and 12 μm, in addition to the 0.78-μm circles were found. These results suggest that the 0.78-μm circular molecules were in a protected position within Dane particle cores and the linear molecules were not within core structures. Length measurements on 225 circular molecules revealed a mean length of 0.78 ± 0.09 μm which would correspond to a molecular weight of around 1.6 × 106. The circular molecules probably serve as primer-template for the DNA polymerase reaction carried out by Dane particle cores. Thermal denaturation and buoyant density measurements on the Dane particle DNA polymerase reaction product revealed a guanosine plus cytosine content of 48 to 49%. Images PMID:4847328

Structure-driven turbulence in ``No man's Land''

NASA Astrophysics Data System (ADS)

Kosuga, Yusuke; Diamond, Patrick

2012-10-01

Structures are often observed in many physical systems. In tokamaks, for example, such structures are observed as density blobs and holes. Such density blobs and holes are generated at the tokamak edge, where strong gradient perturbations generate an outgoing blob and an incoming hole. Since density holes can propagate from the edge to the core, such structures may play an important role in understanding the phenomenology of the edge-core coupling region, so-called ``No Man's Land.'' In this work, we discuss the dynamics of such structures in real space. In particular, we consider the dynamics of density blobs and holes in the Hasegawa-Wakatani system. Specific questions addressed here include: i) how these structures extract free energy and enhance transport? how different is the relaxation driven by such structures from that driven by linear drift waves? ii) how these structures interact with shear flows? In particular, how these structures interact with a shear layer, which can absorb structures resonantly? iii) how can we calculate the coupled evolution of structures and shear flows? Implications for edge-core coupling problem are discussed as well.

Homogeneous purely buoyancy driven turbulent flow

NASA Astrophysics Data System (ADS)

Arakeri, Jaywant; Cholemari, Murali; Pawar, Shashikant

2010-11-01

An unstable density difference across a long vertical tube open at both ends leads to convection that is axially homogeneous with a linear density gradient. We report results from such tube convection experiments, with driving density caused by salt concentration difference or temperature difference. At high enough Rayleigh numbers (Ra) the convection is turbulent with zero mean flow and zero mean Reynolds shear stresses; thus turbulent production is purely by buoyancy. We observe different regimes of turbulent convection. At very high Ra the Nusselt number scales as the square root of the Rayleigh number, giving the so-called "ultimate regime" of convection predicted for Rayleigh-Benard convection in limit of infinite Ra. Turbulent convection at intermediate Ra, the Nusselt number scales as Ra^0.3. In both regimes, the flux and the Taylor scale Reynolds number are more than order of magnitude larger than those obtained in Rayleigh-Benard convection. Absence of a mean flow makes this an ideal flow to study shear free turbulence near a wall.

Binding in pair potentials of liquid simple metals from nonlocality in electronic kinetic energy

NASA Technical Reports Server (NTRS)

Perrot, F.; March, N. H.

1990-01-01

The paper presents an explicit expression for the pair potential in liquid simple metals from low-order density-gradient theory when the superposition of single-center displaced charges is employed. Numerical results are presented for the gradient expansion pair interaction in liquid Na and Be. The low-order density-gradient equation for the pair potential is presented.

MEMS cantilever based magnetic field gradient sensor

NASA Astrophysics Data System (ADS)

Dabsch, Alexander; Rosenberg, Christoph; Stifter, Michael; Keplinger, Franz

2017-05-01

This paper describes major contributions to a MEMS magnetic field gradient sensor. An H-shaped structure supported by four arms with two circuit paths on the surface is designed for measuring two components of the magnetic flux density and one component of the gradient. The structure is produced from silicon wafers by a dry etching process. The gold leads on the surface carry the alternating current which interacts with the magnetic field component perpendicular to the direction of the current. If the excitation frequency is near to a mechanical resonance, vibrations with an amplitude within the range of 1-103 nm are expected. Both theoretical (simulations and analytic calculations) and experimental analysis have been carried out to optimize the structures for different strength of the magnetic gradient. In the same way the impact of the coupling structure on the resonance frequency and of different operating modes to simultaneously measure two components of the flux density were tested. For measuring the local gradient of the flux density the structure was operated at the first symmetrical and the first anti-symmetrical mode. Depending on the design, flux densities of approximately 2.5 µT and gradients starting from 1 µT mm-1 can be measured.

Analytical characterization of selective benthic flux components in estuarine and coastal waters

USGS Publications Warehouse

King, Jeffrey N.

2011-01-01

Benthic flux is the rate of flow across the bed of a water body, per unit area of bed. It is forced by component mechanisms, which interact. For example, pressure gradients across the bed, forced by tide, surface gravity waves, density gradients, bed–current interaction, turbulence, and terrestrial hydraulic gradients, drive an advective benthic flux of water and constituents between estuarine and coastal waters, and surficial aquifers. Other mechanisms also force benthic flux, such as chemical gradients, bioturbation, and dispersion. A suite of component mechanisms force a total benthic flux at any given location, where each member of the suite contributes a component benthic flux. Currently, the types and characteristics of component interactions are not fully understood. For example, components may interact linearly or nonlinearly, and the interaction may be constructive or destructive. Benthic flux is a surface water–groundwater interaction process. Its discharge component to a marine water body is referred to, in some literature, as submarine groundwater discharge. Benthic flux is important in characterizing water and constituent budgets of estuarine and coastal systems. Analytical models to characterize selective benthic flux components are reviewed. Specifically, these mechanisms are for the component associated with the groundwater tidal prism, and forced by surface gravity wave setup, surface gravity waves on a plane bed, and the terrestrial hydraulic gradient. Analytical models are applied to the Indian River Lagoon, Florida; Great South Bay, New York; and the South Atlantic Bight in South Carolina and portions of North Carolina.

Method and means for a spatial and temporal probe for laser-generated plumes based on density gradients

DOEpatents

Yeung, E.S.; Chen, G.

1990-05-01

A method and means are disclosed for a spatial and temporal probe for laser generated plumes based on density gradients includes generation of a plume of vaporized material from a surface by an energy source. The probe laser beam is positioned so that the plume passes through the probe laser beam. Movement of the probe laser beam caused by refraction from the density gradient of the plume is monitored. Spatial and temporal information, correlated to one another, is then derived. 15 figs.

Evaluation of effects of geometrical parameters on density distribution in compaction of PM gears

NASA Astrophysics Data System (ADS)

Khodaee, Alireza; Melander, Arne

2017-10-01

The usage of powder metallurgy (PM) for manufacturing of transmission components in automotive industries has been studied by many researchers. PM components have become of interest in recent years due to advancements in post processing possibilities such as hot isostatic pressing (HIP). Still in many of the forming process routes for making components from PM materials, the compaction of the powder into green component is the first step. Compaction is required to put the powder into the near net shape of the desired component and it causes a density gradient in the body of the green component. Basically the friction between powder particles and between the powder particles and die walls are the well-known roots for such density gradients in the compacted component. Looking at forming of PM gears, the gradient in density is one of the most important roots of problems in the processing of PM gears as well. That is because making a gear with full density and no pores will be very costly if large density gradients exist in the green component. The purpose of this study is to find the possible relations between the gear geometry and the density gradients in the green component after compaction in addition to the friction effects. For this purpose several gears should be tested. To reduce the research costs, the finite element (FE) method is used. First a FE model of the compaction process is developed and verified. To investigate the relations between the density gradients and the gear parameters such as addendum diameter (da) and the face width (b) several gear geometries have been studied. The compaction of selected gears is simulated using the FE model. The simulations results which are the distribution of density in the green component are evaluated and discussed and conclusion are made based on them.

Recursion equations in predicting band width under gradient elution.

PubMed

Liang, Heng; Liu, Ying

2004-06-18

The evolution of solute zone under gradient elution is a typical problem of non-linear continuity equation since the local diffusion coefficient and local migration velocity of the mass cells of solute zones are the functions of position and time due to space- and time-variable mobile phase composition. In this paper, based on the mesoscopic approaches (Lagrangian description, the continuity theory and the local equilibrium assumption), the evolution of solute zones in space- and time-dependent fields is described by the iterative addition of local probability density of the mass cells of solute zones. Furthermore, on macroscopic levels, the recursion equations have been proposed to simulate zone migration and spreading in reversed-phase high-performance liquid chromatography (RP-HPLC) through directly relating local retention factor and local diffusion coefficient to local mobile phase concentration. This new approach differs entirely from the traditional theories on plate concept with Eulerian description, since band width recursion equation is actually the accumulation of local diffusion coefficients of solute zones to discrete-time slices. Recursion equations and literature equations were used in dealing with same experimental data in RP-HPLC, and the comparison results show that the recursion equations can accurately predict band width under gradient elution.

Stream Communities Along a Catchment Land-Use Gradient: Subsidy-Stress Responses to Pastoral Development

NASA Astrophysics Data System (ADS)

Niyogi, Dev K.; Koren, Mark; Arbuckle, Chris J.; Townsend, Colin R.

2007-02-01

When native grassland catchments are converted to pasture, the main effects on stream physicochemistry are usually related to increased nutrient concentrations and fine-sediment input. We predicted that increasing nutrient concentrations would produce a subsidy-stress response (where several ecological metrics first increase and then decrease at higher concentrations) and that increasing sediment cover of the streambed would produce a linear decline in stream health. We predicted that the net effect of agricultural development, estimated as percentage pastoral land cover, would have a nonlinear subsidy-stress or threshold pattern. In our suite of 21 New Zealand streams, epilithic algal biomass and invertebrate density and biomass were higher in catchments with a higher proportion of pastoral land cover, responding mainly to increased nutrient concentration. Invertebrate species richness had a linear, negative relationship with fine-sediment cover but was unrelated to nutrients or pastoral land cover. In accord with our predictions, several invertebrate stream health metrics (Ephemeroptera-Plecoptera-Trichoptera density and richness, New Zealand Macroinvertebrate Community Index, and percent abundance of noninsect taxa) had nonlinear relationships with pastoral land cover and nutrients. Most invertebrate health metrics usually had linear negative relationships with fine-sediment cover. In this region, stream health, as indicated by macroinvertebrates, primarily followed a subsidy-stress pattern with increasing pastoral development; management of these streams should focus on limiting development beyond the point where negative effects are seen.

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.

PubMed

Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K; Chibotaru, Liviu F; Delcey, Mickaël G; De Vico, Luca; Fdez Galván, Ignacio; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Martí, Javier; Stenrup, Michael; Truhlar, Donald G; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P; Weingart, Oliver; Zapata, Felipe; Lindh, Roland

2016-02-15

In this report, we summarize and describe the recent unique updates and additions to the Molcas quantum chemistry program suite as contained in release version 8. These updates include natural and spin orbitals for studies of magnetic properties, local and linear scaling methods for the Douglas-Kroll-Hess transformation, the generalized active space concept in MCSCF methods, a combination of multiconfigurational wave functions with density functional theory in the MC-PDFT method, additional methods for computation of magnetic properties, methods for diabatization, analytical gradients of state average complete active space SCF in association with density fitting, methods for constrained fragment optimization, large-scale parallel multireference configuration interaction including analytic gradients via the interface to the Columbus package, and approximations of the CASPT2 method to be used for computations of large systems. In addition, the report includes the description of a computational machinery for nonlinear optical spectroscopy through an interface to the QM/MM package Cobramm. Further, a module to run molecular dynamics simulations is added, two surface hopping algorithms are included to enable nonadiabatic calculations, and the DQ method for diabatization is added. Finally, we report on the subject of improvements with respects to alternative file options and parallelization. © 2015 Wiley Periodicals, Inc.

Macro and micro rate zonal analytical centrifugation of polydisperse and slowly diffusing sedimenting systems in isovolumetric density gradients. Application to cartilage proteoglycans.

PubMed

Müller, F J; Pezon, C F; Pita, J C

1989-06-13

A method to study the polydispersity of zonally sedimenting and slowly diffusing macromolecules or particles in isokinetic or isovolumetric density gradients is presented. First, a brief theory is given for predicting the zonal profile after a "triangular" (or "inverse") zone is centrifuged. This type of zone is essential to preserve hydrodynamic stability of the very slowly diffusing polydisperse solutes. It is proven, both by semitheoretical considerations and by computer calculations, that the resulting concentration profile of macrosolute is almost identical with that obtainable with a rectangular zone coextensive with the triangular one and carrying the same total mass. Next, practical procedures are described for the convectionless layering of very small triangular zones (50 microL or less). The linearity and stability of the zones are experimentally tested and verified. Finally, the method is applied to cartilage proteoglycan preparations that included either the monomeric molecules only or both the monomeric and the aggregated ones. The zonal results are compared with those obtained by using conventional boundary sedimentation. The two sets of results are seen to coincide fairly well, thus proving that the present technique can add to preparative zonal centrifugation the analytical precision of boundary sedimentation. A multimodal polydisperse system is suggested to describe the aggregated proteoglycan macromolecules.

Combined effects of drift waves and neoclassical transport on density profiles in tokamaks

NASA Astrophysics Data System (ADS)

Houlberg, W. A.; Strand, P.

2005-10-01

The relative importance of neoclassical and anomalous particle transport depends on the charge number of the species being studied. The detailed particle balance including the EDWM [1] drift wave model for anomalous transport that includes ITG, TEM and in some cases ETG modes, and the neoclassical model NCLASS [2], are illustrated by simulations with the DEA particle transport code. DEA models the evolution of all ion species, and can be run in a mode to evaluate dynamic responses to perturbations or to conditions far from equilibrium by perturbing the profiles from the experimental measurements. The perturbations allow the fluxes to be decomposed into diffusive and convective (pinch) terms. The different scaling with charge number between drift wave and neoclassical models favors a stronger component of neoclassical transport for higher Z impurities through the effective pinch term. Although trace impurities illustrate a simple Ficks Law form, the main ions as well as higher concentrations of intrinsic impurities exhibit non-linear responses to the density gradients as well as off-diagonal gradient dependencies, leading to a more complicated response for the particle fluxes.[1] H. Nordman, et al., Plasma Phys. Control. Fusion 47 (2005) L11. [2] W.A. Houlberg, et al., Phys. Plasmas 4 (1997) 3230.

Human-mediated loss of phylogenetic and functional diversity in coral reef fishes.

PubMed

D'agata, Stéphanie; Mouillot, David; Kulbicki, Michel; Andréfouët, Serge; Bellwood, David R; Cinner, Joshua E; Cowman, Peter F; Kronen, Mecki; Pinca, Silvia; Vigliola, Laurent

2014-03-03

Beyond the loss of species richness, human activities may also deplete the breadth of evolutionary history (phylogenetic diversity) and the diversity of roles (functional diversity) carried out by species within communities, two overlooked components of biodiversity. Both are, however, essential to sustain ecosystem functioning and the associated provision of ecosystem services, particularly under fluctuating environmental conditions. We quantified the effect of human activities on the taxonomic, phylogenetic, and functional diversity of fish communities in coral reefs, while teasing apart the influence of biogeography and habitat along a gradient of human pressure across the Pacific Ocean. We detected nonlinear relationships with significant breaking points in the impact of human population density on phylogenetic and functional diversity of parrotfishes, at 25 and 15 inhabitants/km(2), respectively, while parrotfish species richness decreased linearly along the same population gradient. Over the whole range, species richness decreased by 11.7%, while phylogenetic and functional diversity dropped by 35.8% and 46.6%, respectively. Our results call for caution when using species richness as a benchmark for measuring the status of ecosystems since it appears to be less responsive to variation in human population densities than its phylogenetic and functional counterparts, potentially imperiling the functioning of coral reef ecosystems. Copyright © 2014 Elsevier Ltd. All rights reserved.

Non-axisymmetric equilibrium reconstruction and suppression of density limit disruptions in a current-carrying stellarator

NASA Astrophysics Data System (ADS)

Ma, Xinxing; Ennis, D. A.; Hanson, J. D.; Hartwell, G. J.; Knowlton, S. F.; Maurer, D. A.

2017-10-01

Non-axisymmetric equilibrium reconstructions have been routinely performed with the V3FIT code in the Compact Toroidal Hybrid (CTH), a stellarator/tokamak hybrid. In addition to 50 external magnetic measurements, 160 SXR emissivity measurements are incorporated into V3FIT to reconstruct the magnetic flux surface geometry and infer the current distribution within the plasma. Improved reconstructions of current and q profiles provide insight into understanding the physics of density limit disruptions observed in current-carrying discharges in CTH. It is confirmed that the final scenario of the density limit of CTH plasmas is consistent with classic observations in tokamaks: current profile shrinkage leads to growing MHD instabilities (tearing modes) followed by a loss of MHD equilibrium. It is also observed that the density limit at a given current linearly increases with increasing amounts of 3D shaping fields. Consequently, plasmas with densities up to two times the Greenwald limit are attained. Equilibrium reconstructions show that addition of 3D fields effectively moves resonance surfaces towards the edge of the plasma where the current profile gradient is less, providing a stabilizing effect. This work is supported by US Department of Energy Grant No. DE-FG02-00ER54610.

The structural, electronic and dynamic properties of the L1{sub 2}- type Co{sub 3}Ti alloy

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

Arikan, Nihat; Özduran, Mustafa

2014-10-06

The structural, electronic and dynamic properties of the cubic Co{sub 3}Ti alloy in L1{sub 2} structure have been investigated using a pseudopotential plane wave (PP-PW) method within the generalized gradient approximation proposed by Perdew–Burke–Ernzerhof (GGA-PBE). The structural properties, including the lattice constant, the bulk modulus and its pressure derivative agree reasonably with the previous results. The density of state (DOS), projected density of state (PDOS) and electronic band structure are also reported. The DOS shows that Co{sub 3}Ti alloy has a metallic character since the energy bands cross the Fermi level. The density of states at Fermi level mainly comesmore » from the Co-3d states. Phonon dispersion curves and their corresponding total densities of states were obtained using a linear response in the framework of the density functional perturbation theory. All computed phonon frequencies are no imaginer and thus, Co{sub 3}Ti alloy is dynamically stable. The zone center phonon modes have been founded to be 9.307, 9.626 and 13.891 THz for Co{sub 3}Ti.« less

Observations of reduced electron Gyroscale fluctuations in national spherical torus experiment H-mode plasmas with large ExB flow shear.

PubMed

Smith, D R; Kaye, S M; Lee, W; Mazzucato, E; Park, H K; Bell, R E; Domier, C W; Leblanc, B P; Levinton, F M; Luhmann, N C; Menard, J E; Yuh, H

2009-06-05

Electron gyroscale fluctuation measurements in National Spherical Torus Experiment H-mode plasmas with large toroidal rotation reveal fluctuations consistent with electron temperature gradient (ETG) turbulence. Large toroidal rotation in National Spherical Torus Experiment plasmas with neutral beam injection generates ExB flow shear rates comparable to ETG linear growth rates. Enhanced fluctuations occur when the electron temperature gradient is marginally stable with respect to the ETG linear critical gradient. Fluctuation amplitudes decrease when the ExB flow shear rate exceeds ETG linear growth rates. The observations indicate that ExB flow shear can be an effective suppression mechanism for ETG turbulence.

Nested Conjugate Gradient Algorithm with Nested Preconditioning for Non-linear Image Restoration.

PubMed

Skariah, Deepak G; Arigovindan, Muthuvel

2017-06-19

We develop a novel optimization algorithm, which we call Nested Non-Linear Conjugate Gradient algorithm (NNCG), for image restoration based on quadratic data fitting and smooth non-quadratic regularization. The algorithm is constructed as a nesting of two conjugate gradient (CG) iterations. The outer iteration is constructed as a preconditioned non-linear CG algorithm; the preconditioning is performed by the inner CG iteration that is linear. The inner CG iteration, which performs preconditioning for outer CG iteration, itself is accelerated by an another FFT based non-iterative preconditioner. We prove that the method converges to a stationary point for both convex and non-convex regularization functionals. We demonstrate experimentally that proposed method outperforms the well-known majorization-minimization method used for convex regularization, and a non-convex inertial-proximal method for non-convex regularization functional.

Realization of preconditioned Lanczos and conjugate gradient algorithms on optical linear algebra processors.

PubMed

Ghosh, A

1988-08-01

Lanczos and conjugate gradient algorithms are important in computational linear algebra. In this paper, a parallel pipelined realization of these algorithms on a ring of optical linear algebra processors is described. The flow of data is designed to minimize the idle times of the optical multiprocessor and the redundancy of computations. The effects of optical round-off errors on the solutions obtained by the optical Lanczos and conjugate gradient algorithms are analyzed, and it is shown that optical preconditioning can improve the accuracy of these algorithms substantially. Algorithms for optical preconditioning and results of numerical experiments on solving linear systems of equations arising from partial differential equations are discussed. Since the Lanczos algorithm is used mostly with sparse matrices, a folded storage scheme to represent sparse matrices on spatial light modulators is also described.

Development and validation of a critical gradient energetic particle driven Alfven eigenmode transport model for DIII-D tilted neutral beam experiments

NASA Astrophysics Data System (ADS)

Waltz, R. E.; Bass, E. M.; Heidbrink, W. W.; VanZeeland, M. A.

2015-11-01

Recent experiments with the DIII-D tilted neutral beam injection (NBI) varying the beam energetic particle (EP) source profiles have provided strong evidence that unstable Alfven eigenmodes (AE) drive stiff EP transport at a critical EP density gradient [Heidbrink et al 2013 Nucl. Fusion 53 093006]. Here the critical gradient is identified by the local AE growth rate being equal to the local ITG/TEM growth rate at the same low toroidal mode number. The growth rates are taken from the gyrokinetic code GYRO. Simulation show that the slowing down beam-like EP distribution has a slightly lower critical gradient than the Maxwellian. The ALPHA EP density transport code [Waltz and Bass 2014 Nucl. Fusion 54 104006], used to validate the model, combines the low-n stiff EP critical density gradient AE mid-core transport with the Angioni et al (2009 Nucl. Fusion 49 055013) energy independent high-n ITG/TEM density transport model controling the central core EP density profile. For the on-axis NBI heated DIII-D shot 146102, while the net loss to the edge is small, about half the birth fast ions are transported from the central core r/a  <  0.5 and the central density is about half the slowing down density. These results are in good agreement with experimental fast ion pressure profiles inferred from MSE constrained EFIT equilibria.

Steep, Transient Density Gradients in the Martian Ionosphere Similar to the Ionopause at Venus

NASA Astrophysics Data System (ADS)

Duru, Firdevs; Gurnett, Donald; Frahm, Rudy; Winningham, D. L.; Morgan, David; Howes, Gregory

Using Mars Advanced Radar for Subsurface and Ionospheric Sounding (MARSIS) on the Mars Express (MEX) spacecraft, the electron density can be measured by two methods: from the excitation of local plasma oscillations and from remote sounding. A study of the local electron density versus time for 1664 orbits revealed that in 132 orbits very sharp gradients in the electron density occurred that are similar to the ionopause boundary commonly observed at Venus. In 40 of these cases, remote sounding data have also confirmed identical locations of steep ionopause-like density gradients. Measurements from the Analyzer of Space Plasma and Energetic Atoms (ASPERA-3) Electron Spectrometer (ELS) and Ion Mass Analyzer (IMA) instruments (also on Mars Express) verify that these sharp decreases in the electron density occur somewhere between the end of the region where ionospheric photoelectrons are dominant and the magnetosheath. Combined studies of the two experiments reveal that the steep density gradients define a boundary where the magnetic fields change from open to closed. This study shows that, although the individual cases are from a wide range of altitudes, the average altitude of the boundary as a function of solar zenith angle is almost constant. The average altitude is approximately 500 km up to solar zenith angles of 60o, after which it shows a slight increase. The average thickness of the boundary is about 22 km according to remote sounding measurements. The altitude of the steep gradients shows an increase at locations with strong crustal magnetic fields.

Flow convergence caused by a salinity minimum in a tidal channel

USGS Publications Warehouse

Warner, John C.; Schoellhamer, David H.; Burau, Jon R.; Schladow, S. Geoffrey

2006-01-01

Residence times of dissolved substances and sedimentation rates in tidal channels are affected by residual (tidally averaged) circulation patterns. One influence on these circulation patterns is the longitudinal density gradient. In most estuaries the longitudinal density gradient typically maintains a constant direction. However, a junction of tidal channels can create a local reversal (change in sign) of the density gradient. This can occur due to a difference in the phase of tidal currents in each channel. In San Francisco Bay, the phasing of the currents at the junction of Mare Island Strait and Carquinez Strait produces a local salinity minimum in Mare Island Strait. At the location of a local salinity minimum the longitudinal density gradient reverses direction. This paper presents four numerical models that were used to investigate the circulation caused by the salinity minimum: (1) A simple one-dimensional (1D) finite difference model demonstrates that a local salinity minimum is advected into Mare Island Strait from the junction with Carquinez Strait during flood tide. (2) A three-dimensional (3D) hydrodynamic finite element model is used to compute the tidally averaged circulation in a channel that contains a salinity minimum (a change in the sign of the longitudinal density gradient) and compares that to a channel that contains a longitudinal density gradient in a constant direction. The tidally averaged circulation produced by the salinity minimum is characterized by converging flow at the bed and diverging flow at the surface, whereas the circulation produced by the constant direction gradient is characterized by converging flow at the bed and downstream surface currents. These velocity fields are used to drive both a particle tracking and a sediment transport model. (3) A particle tracking model demonstrates a 30 percent increase in the residence time of neutrally buoyant particles transported through the salinity minimum, as compared to transport through a constant direction density gradient. (4) A sediment transport model demonstrates increased deposition at the near-bed null point of the salinity minimum, as compared to the constant direction gradient null point. These results are corroborated by historically noted large sedimentation rates and a local maximum of selenium accumulation in clams at the null point in Mare Island Strait.

A density gradient of VAPG peptides on a cell-resisting surface achieves selective adhesion and directional migration of smooth muscle cells over fibroblasts.

PubMed

Yu, Shan; Zuo, Xingang; Shen, Tao; Duan, Yiyuan; Mao, Zhengwei; Gao, Changyou

2018-05-01

Selective adhesion and migration of smooth muscle cells (SMCs) over fibroblasts (FIBs) is required to prevent adventitia fibrosis in vascular regeneration. In this study, a uniform cell-resisting layer of poly(ethylene glycol) (PEG) with a density gradient of azide groups was generated on a substrate by immobilizing two kinds of PEG molecules in a gradient manner. A density gradient of alkynyl-functionalized Val-Ala-Pro-Gly (VAPG) peptides was then prepared on the PEG layer via click chemistry. The VAPG density gradient was characterized by fluorescence imaging, revealing the gradual enhancement of the fluorescent intensity along the substrate direction. The adhesion and mobility of SMCs were selectively enhanced on the VAPG density gradient, leading to directional migration toward the higher peptide density (up to 84%). In contrast, the adhesion and mobility of FIBs were significantly weakened. The net displacement of SMCs also significantly increased compared with that on tissue culture polystyrene (TCPS) and that of FIBs on the gradient. The mitogen-activated protein kinase (MAPK) signaling pathways related to cell migration were studied, showing higher expressions of functional proteins from SMCs on the VAPG-modified surface in a density-dependent manner. For the first time the selective adhesion and directional migration of SMCs over FIBs was achieved by an elaborative design of a gradient surface, leading to a new insight in design of novel vascular regenerative materials. Selective cell adhesion and migration guided by regenerative biomaterials are extremely important for the regeneration of targeted tissues, which can avoid the drawbacks of incorrect and uncontrolled responses of tissue cells to implants. For example, selectivity of smooth muscle cells (SMCs) over fibroblasts (FIBs) is required to prevent adventitia fibrosis in vascular regeneration. Herein we prepare a uniform cell-repelling layer, on which SMCs-selective Val-Ala-Pro-Gly (VAPG) peptides are immobilized in a continuous manner. Selective adhesion and enhanced and directional migration of SMCs over FIBs are achieved by the interplay of cell-repelling layer and gradient SMCs-selective VAPG peptides, paving a new way for the design of novel vascular grafts with enhanced biological performance. Copyright © 2018 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Jet Surface Interaction-Scrubbing Noise

NASA Technical Reports Server (NTRS)

Khavaran, Abbas

2013-01-01

Generation of sound due to scrubbing of a jet flow past a nearby solid surface is investigated within the framework of the generalized acoustic analogy theory. The analysis applies to the boundary layer noise generated at and near a wall, and excludes the scattered noise component that is produced at the leading or the trailing edge. While compressibility effects are relatively unimportant at very low Mach numbers, frictional heat generation and thermal gradient normal to the surface could play important roles in generation and propagation of sound in high speed jets of practical interest. A general expression is given for the spectral density of the far-field sound as governed by the variable density Pridmore- Brown equation. The propagation Green's function should be solved numerically starting with the boundary conditions on the surface and subject to specified mean velocity and temperature profiles between the surface and the observer. The equivalent sources of aerodynamic sound are associated with non-linear momentum flux and enthalpy flux terms that appear in the linearized Navier-Stokes equations. These multi-pole sources should be modeled and evaluated with input from a Reynolds-Averaged Navier-Stokes (RANS) solver with an appropriate turbulence model.

Comprehensive evaluation of the linear stability of Alfvén eigenmodes driven by alpha particles in an ITER baseline scenario

NASA Astrophysics Data System (ADS)

Figueiredo, A. C. A.; Rodrigues, P.; Borba, D.; Coelho, R.; Fazendeiro, L.; Ferreira, J.; Loureiro, N. F.; Nabais, F.; Pinches, S. D.; Polevoi, A. R.; Sharapov, S. E.

2016-07-01

The linear stability of Alfvén eigenmodes in the presence of fusion-born alpha particles is thoroughly assessed for two variants of an ITER baseline scenario, which differ significantly in their core and pedestal temperatures. A systematic approach based on CASTOR-K (Borba and Kerner 1999 J. Comput. Phys. 153 101; Nabais et al 2015 Plasma Sci. Technol. 17 89) is used that considers all possible eigenmodes for a given magnetic equilibrium and determines their growth rates due to alpha-particle drive and Landau damping on fuel ions, helium ashes and electrons. It is found that the fastest growing instabilities in the aforementioned ITER scenario are core-localized, low-shear toroidal Alfvén eigenmodes. The largest growth-rates occur in the scenario variant with higher core temperatures, which has the highest alpha-particle density and density gradient, for eigenmodes with toroidal mode numbers n≈ 30 . Although these eigenmodes suffer significant radiative damping, which is also evaluated, their growth rates remain larger than those of the most unstable eigenmodes found in the variant of the ITER baseline scenario with lower core temperatures, which have n≈ 15 and are not affected by radiative damping.

First principles study of hydrogen adsorption on carbon nanowires.

NASA Astrophysics Data System (ADS)

Tapia, Alejandro; Aguilera, Luis; Murrieta, Gabriel; de Coss, Romeo

2007-03-01

Recently has been reported a new type of one-dimensional carbon structures. Carbon nanowires formed by a linear carbon-atom chain inside an armchair (5,5) carbon nanotube has been observed using high-resolution transmission electron microscopy. In the present work we have studied the changes in the electronic structure of a carbon nanowires and (5,5) single-walled carbon nanotubes (SWCN) when a hydrogen atom is adsorbed. We used the Density Functional Theory and the calculations where performed by the pseudopotentials LCAO method (SIESTA code) and the Generalized Gradient Approximation (GGA) for the exchange-correlation potential. We have analyzed the changes in the atomic structure, density of states (LDOS), and the local orbital population. We found charge transfer from the nanotube to the linear chain and the hydrogen atom, the electronic character of the chain and nanotube sub-systems in chain@SWCN is the same that in the corresponding isolated systems, chain or SWCN. But the hydrogen adsorption produced changes in the atomic estructure and the electronic properties. This research was supported by PRIORI-UADY under Grant No. FING-05-004 and Consejo Nacional de Ciencia y Tecnolog'ia (Conacyt) under Grants No. 43830-F and 49985-J.

Generation of multiple toroidal dust vortices by a non-monotonic density gradient in a direct current glow discharge plasma

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

Kaur, Manjit, E-mail: manjit@ipr.res.in; Bose, Sayak; Chattopadhyay, P. K.

2015-09-15

Observation of two well-separated dust vortices in an unmagnetized parallel plate DC glow discharge plasma is reported in this paper. A non-monotonic radial density profile, achieved by an especially designed cathode structure using a concentric metallic disk and ring of different radii, is observed to produce double dust tori between cathode and anode. PIV analysis of the still images of the double tori shows oppositely rotating dust structures between the central disk and the ring. Langmuir probe measurements of background plasma shows a non-uniform plasma density profile between the disk and the ring. Location and sense of rotation of themore » dust vortices coincides with the location and direction of the radial gradient in the ion drag force caused by the radial density gradient. The experimentally observed dust vorticity matches well with the calculated one using hydrodynamic formulations with shear in ion drag dominating over the dust charge gradient. These results corroborate that a radial gradient in the ion drag force directed towards cathode is the principal cause of dust rotation.« less

Preparation of synaptic plasma membrane and postsynaptic density proteins using a discontinuous sucrose gradient.

PubMed

Bermejo, Marie Kristel; Milenkovic, Marija; Salahpour, Ali; Ramsey, Amy J

2014-09-03

Neuronal subcellular fractionation techniques allow the quantification of proteins that are trafficked to and from the synapse. As originally described in the late 1960's, proteins associated with the synaptic plasma membrane can be isolated by ultracentrifugation on a sucrose density gradient. Once synaptic membranes are isolated, the macromolecular complex known as the post-synaptic density can be subsequently isolated due to its detergent insolubility. The techniques used to isolate synaptic plasma membranes and post-synaptic density proteins remain essentially the same after 40 years, and are widely used in current neuroscience research. This article details the fractionation of proteins associated with the synaptic plasma membrane and post-synaptic density using a discontinuous sucrose gradient. Resulting protein preparations are suitable for western blotting or 2D DIGE analysis.

Fast inversion of gravity data using the symmetric successive over-relaxation (SSOR) preconditioned conjugate gradient algorithm

NASA Astrophysics Data System (ADS)

Meng, Zhaohai; Li, Fengting; Xu, Xuechun; Huang, Danian; Zhang, Dailei

2017-02-01

The subsurface three-dimensional (3D) model of density distribution is obtained by solving an under-determined linear equation that is established by gravity data. Here, we describe a new fast gravity inversion method to recover a 3D density model from gravity data. The subsurface will be divided into a large number of rectangular blocks, each with an unknown constant density. The gravity inversion method introduces a stabiliser model norm with a depth weighting function to produce smooth models. The depth weighting function is combined with the model norm to counteract the skin effect of the gravity potential field. As the numbers of density model parameters is NZ (the number of layers in the vertical subsurface domain) times greater than the observed gravity data parameters, the inverse density parameter is larger than the observed gravity data parameters. Solving the full set of gravity inversion equations is very time-consuming, and applying a new algorithm to estimate gravity inversion can significantly reduce the number of iterations and the computational time. In this paper, a new symmetric successive over-relaxation (SSOR) iterative conjugate gradient (CG) method is shown to be an appropriate algorithm to solve this Tikhonov cost function (gravity inversion equation). The new, faster method is applied on Gaussian noise-contaminated synthetic data to demonstrate its suitability for 3D gravity inversion. To demonstrate the performance of the new algorithm on actual gravity data, we provide a case study that includes ground-based measurement of residual Bouguer gravity anomalies over the Humble salt dome near Houston, Gulf Coast Basin, off the shore of Louisiana. A 3D distribution of salt rock concentration is used to evaluate the inversion results recovered by the new SSOR iterative method. In the test model, the density values in the constructed model coincide with the known location and depth of the salt dome.

Derivation of Nationally Consistent Indices Representing Urban Intensity Within and Across Nine Metropolitan Areas of the Conterminous United States

USGS Publications Warehouse

Cuffney, Thomas F.; Falcone, James A.

2009-01-01

Two nationally consistent multimetric indices of urban intensity were developed to support studies of the effects of urbanization on streams in nine metropolitan areas of the conterminous United States: Atlanta, Georgia; Birmingham, Alabama; Boston, Massachusetts; Dallas-Fort Worth, Texas; Denver, Colorado; Milwaukee-Green Bay, Wisconsin; Portland, Oregon; Raleigh, North Carolina; and Salt Lake City, Utah. These studies were conducted as a part of the U.S. Geological Survey's National Water-Quality Assessment Program. These urban intensity indices were used to define gradients of urbanization and to interpret biological, physical, and chemical changes along these gradients. Ninety census, land-cover, and infrastructure variables obtained from nationally available databases were evaluated. Only variables that exhibited a strong and consistent linear relation with 2000 population density were considered for use in the indices. Housing-unit density (HUDEN), percentage of basin area in developed land (P_NLCD1_2), and road density (ROADDEN) were selected as the best representatives of census, land-cover, and infrastructure variables. The metropolitan area national urban intensity index (MA-NUII) was scaled to represent urban intensity within each metropolitan area and ranged from 0 (little or no urban) to 100 (maximum urban) for sites within each metropolitan area. The national urban intensity index (NUII) was scaled to represent urban intensity across all nine metropolitan areas and ranged from 0 to 100 for all sites. The rates at which HUDEN, P_NLCD1_2, and ROADDEN changed with changes in population density varied among metropolitan areas. Therefore, these variables were adjusted to obtain a more uniform rate of response across metropolitan areas in the derivation of the NUII. The NUII indicated that maximum levels of urban intensity occurred in the West and Midwest rather than in the East primarily because small inner-city streams in eastern metropolitan areas are buried and converted to storm drains or sewers and because of higher density development in the Western and Central United States. The national indices (MA-NUII, NUII) were compared to indices that were derived independently for each metropolitan area (MA-UII) based on variables that were of local interest. The MA-UIIs, which were based on 5 to 40 variables, tended to overestimate urban intensity relative to the national indices particularly when the MA-UII was composed of large numbers of variables that were not linearly related to population density as in Denver, Dallas-Fort Worth, and Milwaukee-Green Bay.

Enviromental Effects on Internal Color Gradients of Early-Type Galaxies

NASA Astrophysics Data System (ADS)

La Barbera, F.; de Carvalho, R. R.; Gal, R. R.; Busarello, G.; Haines, C. P.; Mercurio, A.; Merluzzi, P.; Capaccioli, M.; Djorgovski, S. G.

2007-05-01

One of the most debated issues of observational and theoretical cosmology is that of how the environment affects the formation and evolution of galaxies. To gain new insight into this subject, we have derived surface photometry for a sample of 3,000 early-type galaxies belonging to 163 clusters with different richness, spanning a redshift range of 0.05 to 0.25. This large data-set is used to analyze how the color distribution inside galaxies depends on several parameters, such as cluster richness, local galaxy density, galaxy luminosity and redshift. We find that the internal color profile of galaxies strongly depends on the environment where galaxies reside. Galaxies in poor and rich clusters are found to follow two distinct trends in the color gradient vs. redshift diagram, with color gradients beeing less steep in rich rather than in poor clusters. No dependence of color gradients on galaxy luminosity is detected both for poor and rich clusters. We find that color gradients strongly depend on local galaxy density, with more shallow gradients in high density regions. Interestingly, this result holds only for low richness clusters, with color gradients of galaxies in rich clusters showing no dependence on local galaxy density. Our results support a reasonable picture whereby young early-type galaxies form in a dissipative collapse process, and then undergo increased (either major or minor) merging activity in richer rather than in poor clusters.

On the self-organizing process of large scale shear flows

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

Newton, Andrew P. L.; Kim, Eun-jin; Liu, Han-Li

2013-09-15

Self organization is invoked as a paradigm to explore the processes governing the evolution of shear flows. By examining the probability density function (PDF) of the local flow gradient (shear), we show that shear flows reach a quasi-equilibrium state as its growth of shear is balanced by shear relaxation. Specifically, the PDFs of the local shear are calculated numerically and analytically in reduced 1D and 0D models, where the PDFs are shown to converge to a bimodal distribution in the case of finite correlated temporal forcing. This bimodal PDF is then shown to be reproduced in nonlinear simulation of 2Dmore » hydrodynamic turbulence. Furthermore, the bimodal PDF is demonstrated to result from a self-organizing shear flow with linear profile. Similar bimodal structure and linear profile of the shear flow are observed in gulf stream, suggesting self-organization.« less

First-principles study of structural stability, electronic, optical and elastic properties of binary intermetallic: PtZr

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

Pagare, Gitanjali, E-mail: gita-pagare@yahoo.co.in; Jain, Ekta, E-mail: jainekta05@gmail.com; Sanyal, S. P., E-mail: sps.physicsbu@gmail.com

2016-05-06

Structural, electronic, optical and elastic properties of PtZr have been studied using the full-potential linearized augmented plane wave (FP-LAPW) method within density functional theory (DFT). The energy against volume and enthalpy vs. pressure variation in three different structures i.e. B{sub 1}, B{sub 2} and B{sub 3} for PtZr has been presented. The equilibrium lattice parameter, bulk modulus and its pressure derivative have been obtained using optimization method for all the three phases. Furthermore, electronic structure was discussed to reveal the metallic character of the present compound. The linear optical properties are also studied under zero pressure for the first time.more » Results on elastic properties are obtained using generalized gradient approximation (GGA) for exchange correlation potentials. Ductile nature of PtZr compound is predicted in accordance with Pugh’s criteria.« less

Intrinsic suppression of turbulence in linear plasma devices

NASA Astrophysics Data System (ADS)

Leddy, J.; Dudson, B.

2017-12-01

Plasma turbulence is the dominant transport mechanism for heat and particles in magnetised plasmas in linear devices and tokamaks, so the study of turbulence is important in limiting and controlling this transport. Linear devices provide an axial magnetic field that serves to confine a plasma in cylindrical geometry as it travels along the magnetic field from the source to the strike point. Due to perpendicular transport, the plasma density and temperature have a roughly Gaussian radial profile with gradients that drive instabilities, such as resistive drift-waves and Kelvin-Helmholtz. If unstable, these instabilities cause perturbations to grow resulting in saturated turbulence, increasing the cross-field transport of heat and particles. When the plasma emerges from the source, there is a time, {τ }\\parallel , that describes the lifetime of the plasma based on parallel velocity and length of the device. As the plasma moves down the device, it also moves azimuthally according to E × B and diamagnetic velocities. There is a balance point in these parallel and perpendicular times that sets the stabilisation threshold. We simulate plasmas with a variety of parallel lengths and magnetic fields to vary the parallel and perpendicular lifetimes, respectively, and find that there is a clear correlation between the saturated RMS density perturbation level and the balance between these lifetimes. The threshold of marginal stability is seen to exist where {τ }\\parallel ≈ 11{τ }\\perp . This is also associated with the product {τ }\\parallel {γ }* , where {γ }* is the drift-wave linear growth rate, indicating that the instability must exist for roughly 100 times the growth time for the instability to enter the nonlinear growth phase. We explore the root of this correlation and the implications for linear device design.

Valence electronic properties of porphyrin derivatives.

PubMed

Stenuit, G; Castellarin-Cudia, C; Plekan, O; Feyer, V; Prince, K C; Goldoni, A; Umari, P

2010-09-28

We present a combined experimental and theoretical investigation of the valence electronic structure of porphyrin-derived molecules. The valence photoemission spectra of the free-base tetraphenylporphyrin and of the octaethylporphyrin molecule were measured using synchrotron radiation and compared with theoretical spectra calculated using the GW method and the density-functional method within the generalized gradient approximation. Only the GW results could reproduce the experimental data. We found that the contribution to the orbital energies due to electronic correlations has the same linear behavior in both molecules, with larger deviations in the vicinity of the HOMO level. This shows the importance of adequate treatment of electronic correlations in these organic systems.

Theoretical investigations on structural, elastic and electronic properties of thallium halides

NASA Astrophysics Data System (ADS)

Singh, Rishi Pal; Singh, Rajendra Kumar; Rajagopalan, Mathrubutham

2011-04-01

Theoretical investigations on structural, elastic and electronic properties, viz. ground state lattice parameter, elastic moduli and density of states, of thallium halides (viz. TlCl and TlBr) have been made using the full potential linearized augmented plane wave method within the generalized gradient approximation (GGA). The ground state lattice parameter and bulk modulus and its pressure derivative have been obtained using optimization method. Young's modulus, shear modulus, Poisson ratio, sound velocities for longitudinal and shear waves, Debye average velocity, Debye temperature and Grüneisen parameter have also been calculated for these compounds. Calculated structural, elastic and other parameters are in good agreement with the available data.

Luminosity Limitations of Linear Colliders Based on Plasma Acceleration

DOE PAGES

Lebedev, Valeri; Burov, Alexey; Nagaitsev, Sergei

2016-01-01

Particle acceleration in plasma creates a possibility of exceptionally high accelerating gradients and appears as a very attractive option for future linear electron-positron and/or photon-photon colliders. These high accelerating gradients were already demonstrated in a number of experiments. Furthermore, a linear collider requires exceptionally high beam brightness which still needs to be demonstrated. In this article we discuss major phenomena which limit the beam brightness of accelerated beam and, consequently, the collider luminosity.

The Relationships Between ELM Suppression, Pedestal Profiles, and Lithium Wall Coatings in NSTX

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

D.P. Boyle, R. Maingi, P.B. Snyder, J. Manickam, T.H. Osborne, R.E. Bell, B.P. LeBlanc, and the NSTX Team

2012-08-17

Recently in the National Spherical Torus Experiment (NSTX), increasing lithium wall coatings suppressed edge localized modes (ELMs), gradually but not quite monotonically. This work details profile and stability analysis as ELMs disappeared throughout the lithium scan. While the quantity of lithium deposited between discharges did not uniquely determine the presence of ELMs, profile analysis demonstrated that lithium was correlated to wider density and pressure pedestals with peak gradients farther from the separatrix. Moreover, the ELMy and ELM-free discharges were cleanly separated by their density and pedestal widths and peak gradient locations. Ultimately, ELMs were only suppressed when lithium caused themore » density pedestal to widen and shift inward. These changes in the density gradient were directly reflected in the pressure gradient and calculated bootstrap current. This supports the theory that ELMs in NSTX are caused by peeling and/or ballooning modes, as kink/peeling modes are stabilized when the edge current and pressure gradient shift away from the separatrix. Edge stability analysis using ELITE corroborated this picture, as reconstructed equilibria from ELM-free discharges were generally farther from their kink/peeling stability boundaries than ELMy discharges. We conclude that density profile control provided by lithium is the key first step to ELM suppression in NSTX« less

The relationships between edge localized modes suppression, pedestal profiles and lithium wall coatings in NSTX

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

Boyle, D. P.; Maingi, R.; Snyder, P. B.

2011-01-01

Recently in the National Spherical Torus Experiment (NSTX), increasing lithium wall coatings suppressed edge localized modes (ELMs), gradually but not quite monotonically. This work details profile and stability analysis as ELMs disappeared throughout the lithium scan. While the quantity of lithium deposited between discharges did not uniquely determine the presence of ELMs, profile analysis demonstrated that lithium was correlated with wider density and pressure pedestals with peak gradients farther from the separatrix. Moreover, the ELMy and ELM-free discharges were cleanly separated by their density and pedestal widths and peak gradient locations. Ultimately, ELMs were only suppressed when lithium caused themore » density pedestal to widen and shift inward. These changes in the density gradient were directly reflected in the pressure gradient and calculated bootstrap current. This supports the theory that ELMs in NSTX are caused by peeling and/or ballooning modes, as kink/peeling modes are stabilized when the edge current and pressure gradient shift away from the separatrix. Edge stability analysis using ELITE corroborated this picture, as reconstructed equilibria from ELM-free discharges were generally farther from their kink/peeling stability boundaries than ELMy discharges. We conclude that density profile control provided by lithium is the key first step to ELM suppression in NSTX.« less

Purification of white spot syndrome virus by iodixanol density gradient centrifugation.

PubMed

Dantas-Lima, J J; Corteel, M; Cornelissen, M; Bossier, P; Sorgeloos, P; Nauwynck, H J

2013-10-01

Up to now, only a few brief procedures for purifying white spot syndrome virus (WSSV) have been described. They were mainly based on sucrose, NaBr and CsCl density gradient centrifugation. This work describes for the first time the purification of WSSV through iodixanol density gradients, using virus isolated from infected tissues and haemolymph of Penaeus vannamei (Boone). The purification from tissues included a concentration step by centrifugation (2.5 h at 60,000 g) onto a 50% iodixanol cushion and a purification step by centrifugation (3 h at 80,000 g) through a discontinuous iodixanol gradient (phosphate-buffered saline, 5%, 10%, 15% and 20%). The purification from infected haemolymph enclosed a dialysis step with a membrane of 1,000 kDa (18 h) and a purification step through the earlier iodixanol gradient. The gradients were collected in fractions and analysed. The number of particles, infectivity titre (in vivo), total protein and viral protein content were evaluated. The purification from infected tissues gave WSSV suspensions with a very high infectivity and an acceptable purity, while virus purified from haemolymph had a high infectivity and a very high purity. Additionally, it was observed that WSSV has an unusually low buoyant density and that it is very sensitive to high external pressures. © 2013 John Wiley & Sons Ltd.

Complex mountain terrain and disturbance history drive variation in forest aboveground live carbon density in the western Oregon Cascades, USA

Treesearch

Harold S.J. Zald; Thomas A. Spies; Rupert Seidl; Robert J. Pabst; Keith A. Olsen; Ashley Steel

2016-01-01

Forest carbon (C) density varies tremendously across space due to the inherent heterogeneity of forest ecosystems. Variation of forest C density is especially pronounced in mountainous terrain, where environmental gradients are compressed and vary at multiple spatial scales. Additionally, the influence of environmental gradients may vary with forest age and...

Controls on stand transpiration and soil water utilization along a tree density gradient in a Neotropical savanna

Treesearch

Sandra J. Bucci; Fabian G. Scholz; Guillermo Goldstein; William A. Hoffmann; Frederick C. Meinzer; Augusto C. Franco; Thomas Giambelluca; Fernando Miralles-Wilhelm

2008-01-01

Environmental controls of stand-level tree transpiration (E) and seasonal patterns of soil water utilization were studied in five central Brazilian savanna (Cerrado) sites differing in tree density. Tree density of Cerrado vegetation in the study area consistently changes along topographic gradients from ~1,000 trees ha-1 in open savannas (campo...

Sinking velocities of phytoplankton measured on a stable density gradient by laser scanning

PubMed Central

Walsby, Anthony E; Holland, Daryl P

2005-01-01

Two particular difficulties in measuring the sinking velocities of phytoplankton cells are preventing convection within the sedimenting medium and determining the changing depth of the cells. These problems are overcome by using a density-stabilized sedimentation column scanned by a laser. For freshwater species, a suspension of phytoplankton is layered over a vertical density gradient of Percoll solution; as the cells sink down the column their relative concentration is measured by the forward scattering of light from a laser beam that repeatedly scans up and down the column. The Percoll gradient stabilizes the column, preventing vertical mixing by convection, radiation or perturbation of density by the descending cells. Measurements were made on suspensions of 15 μm polystyrene microspheres with a density of 1050 kg m−3; the mean velocity was 6.28 μm s−1, within 1.5% of that calculated by the Stokes equation, 6.36 μm s−1. Measurements made on the filamentous cyanobacterium Planktothrix rubescens gave mean velocities within the theoretical range of values based on the range of size, shape, orientation and density of the particles in a modified Stokes equation. Measurements on marine phytoplankton may require density gradients prepared with other substances. PMID:16849271

Protein gradients in single cells induced by their coupling to "morphogen"-like diffusion

NASA Astrophysics Data System (ADS)

Nandi, Saroj Kumar; Safran, Sam A.

2018-05-01

One of the many ways cells transmit information within their volume is through steady spatial gradients of different proteins. However, the mechanism through which proteins without any sources or sinks form such single-cell gradients is not yet fully understood. One of the models for such gradient formation, based on differential diffusion, is limited to proteins with large ratios of their diffusion constants or to specific protein-large molecule interactions. We introduce a novel mechanism for gradient formation via the coupling of the proteins within a single cell with a molecule, that we call a "pronogen," whose action is similar to that of morphogens in multi-cell assemblies; the pronogen is produced with a fixed flux at one side of the cell. This coupling results in an effectively non-linear diffusion degradation model for the pronogen dynamics within the cell, which leads to a steady-state gradient of the protein concentration. We use stability analysis to show that these gradients are linearly stable with respect to perturbations.

Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

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

None, None

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help illustrate condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction vector can be computed by solving a linear equation or by minimizing a functional. Our paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. This paper also studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases we studied indicate that themore » Krylov-space approach can be more accurate and efficient than the conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.« less

Electronic band structure of LaCoO3/Y/Mn compounds

NASA Astrophysics Data System (ADS)

Rahnamaye Aliabad, H. A.; Hesam, V.; Ahmad, Iftikhar; Khan, Imad

2013-02-01

Spin polarization effects on electronic properties of pure LaCoO3 and doped compounds (La0.5Y0.5CoO3, LaCo0.5Mn0.5O3) in the rhombohedral phase have been studied. We have employed the full potential linearized augmented plane wave (FP-LAPW) method with the generalized gradient approximation (GGA+U) under density functional theory (DFT). The calculated band structures along with total as well as partial densities of states reveal that Y and Mn impurities have a significant effect on the structural and electronic properties of LaCoO3. It is found that Mn alters insulating behavior of this compound to the half metallic for spin up state. Obtained results show that the magnetic moment for the Co-3d state is near 3.12μB in LaCoO3 compound which increases and decreases with addition of Y and Mn dopants respectively.

High-pressure structural, elastic, and electronic properties of the scintillator host material KMgF3

NASA Astrophysics Data System (ADS)

Vaitheeswaran, G.; Kanchana, V.; Kumar, Ravhi S.; Cornelius, A. L.; Nicol, M. F.; Svane, A.; Delin, A.; Johansson, B.

2007-07-01

The high-pressure structural behavior of the fluoroperovskite KMgF3 is investigated by theory and experiment. Density functional calculations were performed within the local density approximation and the generalized gradient approximation for exchange and correlation effects, as implemented within the full-potential linear muffin-tin orbital method. In situ high-pressure powder x-ray diffraction experiments were performed up to a maximum pressure of 40GPa using synchrotron radiation. We find that the cubic Pm3¯m crystal symmetry persists throughout the pressure range studied. The calculated ground state properties—the equilibrium lattice constant, bulk modulus, and elastic constants—are in good agreement with experimental results. By analyzing the ratio between the bulk and shear moduli, we conclude that KMgF3 is brittle in nature. Under ambient conditions, KMgF3 is found to be an indirect gap insulator, with the gap increasing under pressure.

Ultra-sensitive pressure dependence of bandgap of rutile-GeO{sub 2} revealed by many body perturbation theory

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

Samanta, Atanu; Singh, Abhishek K.; Jain, Manish

2015-08-14

The reported values of bandgap of rutile GeO{sub 2} calculated by the standard density functional theory within local-density approximation (LDA)/generalized gradient approximation (GGA) show a wide variation (∼2 eV), whose origin remains unresolved. Here, we investigate the reasons for this variation by studying the electronic structure of rutile-GeO{sub 2} using many-body perturbation theory within the GW framework. The bandgap as well as valence bandwidth at Γ-point of rutile phase shows a strong dependence on volume change, which is independent of bandgap underestimation problem of LDA/GGA. This strong dependence originates from a change in hybridization among O-p and Ge-(s and p)more » orbitals. Furthermore, the parabolic nature of first conduction band along X-Γ-M direction changes towards a linear dispersion with volume expansion.« less

Investigation of a pressure-dependent refractive index of germanium film with an optical fiber film sensor.

PubMed

Yuan, Dongxu; Gao, Hongyun; Chen, Hao; Li, Min

2018-02-01

The refractive index of Ge is found in decline with applied pressure at a specific wavelength in the absorption region below 1900 nm, where the absorption coefficient rises dramatically with decreased wavelength. In this paper, we use a Ge-coated fiber optic probe to demonstrate quantitatively that the downward trend in the refractive index to increasing pressure matches the theoretically simulated optical properties of Ge with a measurement error of 1.03×10 -3 in the refractive index, which is further calculated within the framework of density functional theory with local density approximation. For the first time, to the best of our knowledge, both theoretical and experimental results prove that the refractive index reduces linearly with a gradient of -3.30×10 -4 /MPa as the pressure increases from 0 to 20 MPa.

Spectral functions with the density matrix renormalization group: Krylov-space approach for correction vectors

DOE PAGES

None, None

2016-11-21

Frequency-dependent correlations, such as the spectral function and the dynamical structure factor, help illustrate condensed matter experiments. Within the density matrix renormalization group (DMRG) framework, an accurate method for calculating spectral functions directly in frequency is the correction-vector method. The correction vector can be computed by solving a linear equation or by minimizing a functional. Our paper proposes an alternative to calculate the correction vector: to use the Krylov-space approach. This paper also studies the accuracy and performance of the Krylov-space approach, when applied to the Heisenberg, the t-J, and the Hubbard models. The cases we studied indicate that themore » Krylov-space approach can be more accurate and efficient than the conjugate gradient, and that the error of the former integrates best when a Krylov-space decomposition is also used for ground state DMRG.« less

Ab-initio investigation of Rb substitution in KTP single crystal

NASA Astrophysics Data System (ADS)

Ghoohestani, Marzieh; Arab, Ali; Hashemifar, S. Javad; Sadeghi, Hossein

2018-01-01

The effects of rubidium doping on the structural, electronic, and optical properties of KTiOPO4 (KTP) are investigated in the framework of density functional theory. The equilibrium structural parameters of KTP and RbTiOPO4 (RTP) are calculated within the local density and Perdew-Burke-Ernzerhof (PBE), Wu-Cohen, and PBEsol formulation of generalized gradient approximations. We discuss that PBEsol predicts better equilibrium parameters for the KTP alloy. In addition, the variation of lattice constants and Ti-O-Ti bond angles are evaluated as a function of rubidium concentration. The modern modified Becke-Johnson functional is applied for more accurate band gap determination in the pure and alloyed KTP/RTP compounds. The phenomenological pseudoinversion parameter is calculated for a qualitative understanding of the effect of impurity on a non-linear optical response of KTP. We also analyze the behavior of the dielectric function, dispersive refractive indices, and birefringence of KTP/RTP alloys.

Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

NASA Astrophysics Data System (ADS)

Dabhi, Shweta D.; Gupta, Sanjay D.; Jha, Prafulla K.

2014-05-01

We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in the dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.

Sorting process of nanoparticles and applications of same

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

Tyler, Timothy P.; Henry, Anne-Isabelle; Van Duyne, Richard P.

In one aspect of the present invention, a method for sorting nanoparticles includes preparing a high-viscosity density gradient medium filled in a container, dispersing nanoparticles into an aqueous solution to form a suspension of the nanoparticles, each nanoparticle having one or more cores and a shell encapsulating the one or more cores, layering the suspension of the nanoparticles on the top of the high-viscosity density gradient medium in the container, and centrifugating the layered suspension of the nanoparticles on the top of the high-viscosity density gradient medium in the container at a predetermined speed for a predetermined period of timemore » to form a gradient of fractions of the nanoparticles along the container, where each fraction comprises nanoparticles in a respective one of aggregation states of the nanoparticles.« less

Comparison between measured and predicted turbulence frequency spectra in ITG and TEM regimes

NASA Astrophysics Data System (ADS)

Citrin, J.; Arnichand, H.; Bernardo, J.; Bourdelle, C.; Garbet, X.; Jenko, F.; Hacquin, S.; Pueschel, M. J.; Sabot, R.

2017-06-01

The observation of distinct peaks in tokamak core reflectometry measurements—named quasi-coherent-modes (QCMs)—are identified as a signature of trapped-electron-mode (TEM) turbulence (Arnichand et al 2016 Plasma Phys. Control. Fusion 58 014037). This phenomenon is investigated with detailed linear and nonlinear gyrokinetic simulations using the Gene code. A Tore-Supra density scan is studied, which traverses through a linear (LOC) to saturated (SOC) ohmic confinement transition. The LOC and SOC phases are both simulated separately. In the LOC phase, where QCMs are observed, TEMs are robustly predicted unstable in linear studies. In the later SOC phase, where QCMs are no longer observed, ion-temperature-gradient (ITG) modes are identified. In nonlinear simulations, in the ITG (SOC) phase, a broadband spectrum is seen. In the TEM (LOC) phase, a clear emergence of a peak at the TEM frequencies is seen. This is due to reduced nonlinear frequency broadening of the underlying linear modes in the TEM regime compared with the ITG regime. A synthetic diagnostic of the nonlinearly simulated frequency spectra reproduces the features observed in the reflectometry measurements. These results support the identification of core QCMs as an experimental marker for TEM turbulence.

Analytic energy gradients for the coupled-cluster singles and doubles method with the density-fitting approximation

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

Bozkaya, Uğur, E-mail: ugur.bozkaya@hacettepe.edu.tr; Department of Chemistry, Atatürk University, Erzurum 25240; Sherrill, C. David

2016-05-07

An efficient implementation is presented for analytic gradients of the coupled-cluster singles and doubles (CCSD) method with the density-fitting approximation, denoted DF-CCSD. Frozen core terms are also included. When applied to a set of alkanes, the DF-CCSD analytic gradients are significantly accelerated compared to conventional CCSD for larger molecules. The efficiency of our DF-CCSD algorithm arises from the acceleration of several different terms, which are designated as the “gradient terms”: computation of particle density matrices (PDMs), generalized Fock-matrix (GFM), solution of the Z-vector equation, formation of the relaxed PDMs and GFM, back-transformation of PDMs and GFM to the atomic orbitalmore » (AO) basis, and evaluation of gradients in the AO basis. For the largest member of the alkane set (C{sub 10}H{sub 22}), the computational times for the gradient terms (with the cc-pVTZ basis set) are 2582.6 (CCSD) and 310.7 (DF-CCSD) min, respectively, a speed up of more than 8-folds. For gradient related terms, the DF approach avoids the usage of four-index electron repulsion integrals. Based on our previous study [U. Bozkaya, J. Chem. Phys. 141, 124108 (2014)], our formalism completely avoids construction or storage of the 4-index two-particle density matrix (TPDM), using instead 2- and 3-index TPDMs. The DF approach introduces negligible errors for equilibrium bond lengths and harmonic vibrational frequencies.« less

Linear-scaling time-dependent density-functional theory beyond the Tamm-Dancoff approximation: Obtaining efficiency and accuracy with in situ optimised local orbitals

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

Zuehlsdorff, T. J., E-mail: tjz21@cam.ac.uk; Payne, M. C.; Hine, N. D. M.

2015-11-28

We present a solution of the full time-dependent density-functional theory (TDDFT) eigenvalue equation in the linear response formalism exhibiting a linear-scaling computational complexity with system size, without relying on the simplifying Tamm-Dancoff approximation (TDA). The implementation relies on representing the occupied and unoccupied subspaces with two different sets of in situ optimised localised functions, yielding a very compact and efficient representation of the transition density matrix of the excitation with the accuracy associated with a systematic basis set. The TDDFT eigenvalue equation is solved using a preconditioned conjugate gradient algorithm that is very memory-efficient. The algorithm is validated on amore » small test molecule and a good agreement with results obtained from standard quantum chemistry packages is found, with the preconditioner yielding a significant improvement in convergence rates. The method developed in this work is then used to reproduce experimental results of the absorption spectrum of bacteriochlorophyll in an organic solvent, where it is demonstrated that the TDA fails to reproduce the main features of the low energy spectrum, while the full TDDFT equation yields results in good qualitative agreement with experimental data. Furthermore, the need for explicitly including parts of the solvent into the TDDFT calculations is highlighted, making the treatment of large system sizes necessary that are well within reach of the capabilities of the algorithm introduced here. Finally, the linear-scaling properties of the algorithm are demonstrated by computing the lowest excitation energy of bacteriochlorophyll in solution. The largest systems considered in this work are of the same order of magnitude as a variety of widely studied pigment-protein complexes, opening up the possibility of studying their properties without having to resort to any semiclassical approximations to parts of the protein environment.« less

Micromagnetic Study of Perpendicular Magnetic Recording Media

NASA Astrophysics Data System (ADS)

Dong, Yan

With increasing areal density in magnetic recording systems, perpendicular recording has successfully replaced longitudinal recording to mitigate the superparamagnetic limit. The extensive theoretical and experimental research associated with perpendicular magnetic recording media has contributed significantly to improving magnetic recording performance. Micromagnetic studies on perpendicular recording media, including aspects of the design of hybrid soft underlayers, media noise properties, inter-grain exchange characterization and ultra-high density bit patterned media recording, are presented in this dissertation. To improve the writability of recording media, one needs to reduce the head-to-keeper spacing while maintaining a good texture growth for the recording layer. A hybrid soft underlayer, consisting of a thin crystalline soft underlayer stacked above a non-magnetic seed layer and a conventional amorphous soft underlayer, provides an alternative approach for reducing the effective head-to-keeper spacing in perpendicular recording. Micromagnetic simulations indicate that the media using a hybrid soft underlayer helps enhance the effective field and the field gradient in comparison with conventional media that uses only an amorphous soft underlayer. The hybrid soft underlayer can support a thicker non-magnetic seed layer yet achieve an equivalent or better effective field and field gradient. A noise plateau for intermediate recording densities is observed for a recording layer of typical magnetization. Medium noise characteristics and transition jitter in perpendicular magnetic recording are explored using micromagnetic simulation. The plateau is replaced by a normal linear dependence of noise on recording density for a low magnetization recording layer. We show analytically that a source of the plateau is similar to that producing the Non-Linear-Transition-Shift of signal. In particular, magnetostatic effects are predicted to produce positive correlation of jitter and thus negative correlation of noise at the densities associated with the plateau. One focus for developing perpendicular recording media is on how to extract intergranular exchange coupling and intrinsic anisotropy field dispersion. A micromagnetic numerical technique is developed to effectively separate the effects of intergranular exchange coupling and anisotropy dispersion by finding their correlation to differentiated M-H curves with different initial magnetization states, even in the presence of thermal fluctuation. The validity of this method is investigated with a series of intergranular exchange couplings and anisotropy dispersions for different media thickness. This characterization method allows for an experimental measurement employing a vibrating sample magnetometer (VSM). Bit patterned media have been suggested to extend areal density beyond 1 Tbit/in2. The feasibility of 4 Tbit/in2 bit patterned recording is determined by aspects of write head design and media fabrication, and is estimated by the bit error rate. Micromagnetic specifications including 2.3:1 BAR bit patterned exchange coupled composite media, trailing shield, and side shields are proposed to meet the requirement of 3x10 -4 bit error rate, 4 nm fly height, 5% switching field distribution, 5% timing and 5% jitter errors for 4 Tbit/in2 bit-patterned recording. Demagnetizing field distribution is examined by studying the shielding effect of the side shields on the stray field from the neighboring dots. For recording self-assembled bit-patterned media, the head design writes two staggered tracks in a single pass and has maximum perpendicular field gradients of 580 Oe/nm along the down-track direction and 476 Oe/nm along the cross-track direction. The geometry demanded by self-assembly reduces recording density to 2.9 Tbit/in 2.

Non-linear interactions between CO_2 radiative and physiological effects on Amazonian evapotranspiration in an Earth system model

NASA Astrophysics Data System (ADS)

Halladay, Kate; Good, Peter

2017-10-01

We present a detailed analysis of mechanisms underlying the evapotranspiration response to increased CO_2 in HadGEM2-ES, focussed on western Amazonia. We use three simulations from CMIP5 in which atmospheric CO_2 increases at 1% per year reaching approximately four times pre-industrial levels after 140 years. Using 3-hourly data, we found that evapotranspiration (ET) change was dominated by decreased stomatal conductance (g_s), and to a lesser extent by decreased canopy water and increased moisture gradient (specific humidity difference between surface and near-surface). There were large, non-linear decreases in ET in the simulation in which radiative and physiological forcings could interact. This non-linearity arises from non-linearity in the conductance term (includes aerodynamic and stomatal resistance and partitioning between the two, which is determined by canopy water availability), the moisture gradient, and negative correlation between these two terms. The conductance term is non-linear because GPP responds non-linearly to temperature and GPP is the dominant control on g_s in HadGEM2-ES. In addition, canopy water declines, mainly due to increases in potential evaporation, which further decrease the conductance term. The moisture gradient responds non-linearly owing to the non-linear response of temperature to CO_2 increases, which increases the Bowen ratio. Moisture gradient increases resulting from ET decline increase ET and thus constitute a negative feedback. This analysis highlights the importance of the g_s parametrisation in determining the ET response and the potential differences between offline and online simulations owing to feedbacks on ET via the atmosphere, some of which would not occur in an offline simulation.

Performance analysis of structured gradient algorithm. [for adaptive beamforming linear arrays

NASA Technical Reports Server (NTRS)

Godara, Lal C.

1990-01-01

The structured gradient algorithm uses a structured estimate of the array correlation matrix (ACM) to estimate the gradient required for the constrained least-mean-square (LMS) algorithm. This structure reflects the structure of the exact array correlation matrix for an equispaced linear array and is obtained by spatial averaging of the elements of the noisy correlation matrix. In its standard form the LMS algorithm does not exploit the structure of the array correlation matrix. The gradient is estimated by multiplying the array output with the receiver outputs. An analysis of the two algorithms is presented to show that the covariance of the gradient estimated by the structured method is less sensitive to the look direction signal than that estimated by the standard method. The effect of the number of elements on the signal sensitivity of the two algorithms is studied.

Ecosystem variability along the estuarine salinity gradient: Examples from long-term study of San Francisco Bay

USGS Publications Warehouse

Cloern, James E.; Jassby, Alan D.; Schraga, Tara; Kress, Erica S.; Martin, Charles A.

2017-01-01

The salinity gradient of estuaries plays a unique and fundamental role in structuring spatial patterns of physical properties, biota, and biogeochemical processes. We use variability along the salinity gradient of San Francisco Bay to illustrate some lessons about the diversity of spatial structures in estuaries and their variability over time. Spatial patterns of dissolved constituents (e.g., silicate) can be linear or nonlinear, depending on the relative importance of river-ocean mixing and internal sinks (diatom uptake). Particles have different spatial patterns because they accumulate in estuarine turbidity maxima formed by the combination of sinking and estuarine circulation. Some constituents have weak or no mean spatial structure along the salinity gradient, reflecting spatially distributed sources along the estuary (nitrate) or atmospheric exchanges that buffer spatial variability of ecosystem metabolism (dissolved oxygen). The density difference between freshwater and seawater establishes stratification in estuaries stronger than the thermal stratification of lakes and oceans. Stratification is strongest around the center of the salinity gradient and when river discharge is high. Spatial distributions of motile organisms are shaped by species-specific adaptations to different salinity ranges (shrimp) and by behavioral responses to environmental variability (northern anchovy). Estuarine spatial patterns change over time scales of events (intrusions of upwelled ocean water), seasons (river inflow), years (annual weather anomalies), and between eras separated by ecosystem disturbances (a species introduction). Each of these lessons is a piece in the puzzle of how estuarine ecosystems are structured and how they differ from the river and ocean ecosystems they bridge.

Generation of a wakefield undulator in plasma with transverse density gradient

DOE PAGES

Stupakov, Gennady V.

2017-11-30

Here, we show that a short relativistic electron beam propagating in a plasma with a density gradient perpendicular to the direction of motion generates a wakefield in which a witness bunch experiences a transverse force. A density gradient oscillating along the beam path would create a periodically varying force$-$an undulator, with an estimated strength of the equivalent magnetic field more than ten Tesla. This opens an avenue for creation of a high-strength, short-period undulators, which eventually may lead to all-plasma, free electron lasers where a plasma wakefield acceleration is naturally combined with a plasma undulator in a unifying, compact setup.

Generation of a wakefield undulator in plasma with transverse density gradient

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

Stupakov, Gennady V.

Here, we show that a short relativistic electron beam propagating in a plasma with a density gradient perpendicular to the direction of motion generates a wakefield in which a witness bunch experiences a transverse force. A density gradient oscillating along the beam path would create a periodically varying force$-$an undulator, with an estimated strength of the equivalent magnetic field more than ten Tesla. This opens an avenue for creation of a high-strength, short-period undulators, which eventually may lead to all-plasma, free electron lasers where a plasma wakefield acceleration is naturally combined with a plasma undulator in a unifying, compact setup.

Principal processes within the estuarine salinity gradient: a review.

PubMed

Telesh, Irena V; Khlebovich, Vladislav V

2010-01-01

The salinity gradient is one of the main features characteristic of any estuarine ecosystem. Within this gradient in a critical salinity range of 5-8 PSU the major biotic and abiotic processes demonstrate non-linear dynamics of change in rates and directions. In estuaries, this salinity range acts as both external ecological factor and physiological characteristics of internal environment of aquatic organisms; it divides living conditions appropriate for freshwater and marine faunas, separates invertebrate communities with different osmotic regulation types, and defines the distribution range of high taxa. In this paper, the non-linearity of biotic processes within the estuarine salinity gradient is illustrated by the data on zooplankton from the Baltic estuaries. The non-tidal Baltic Sea provides a good demonstration of the above phenomena due to gradual changes of environmental factors and relatively stable isohalines. The non-linearity concept coupled with the ecosystem approach served the basis for a new definition of an estuary proposed by the authors. Copyright 2010 Elsevier Ltd. All rights reserved.

Terahertz-driven linear electron acceleration

PubMed Central

Nanni, Emilio A.; Huang, Wenqian R.; Hong, Kyung-Han; Ravi, Koustuban; Fallahi, Arya; Moriena, Gustavo; Dwayne Miller, R. J.; Kärtner, Franz X.

2015-01-01

The cost, size and availability of electron accelerators are dominated by the achievable accelerating gradient. Conventional high-brightness radio-frequency accelerating structures operate with 30–50 MeV m−1 gradients. Electron accelerators driven with optical or infrared sources have demonstrated accelerating gradients orders of magnitude above that achievable with conventional radio-frequency structures. However, laser-driven wakefield accelerators require intense femtosecond sources and direct laser-driven accelerators suffer from low bunch charge, sub-micron tolerances and sub-femtosecond timing requirements due to the short wavelength of operation. Here we demonstrate linear acceleration of electrons with keV energy gain using optically generated terahertz pulses. Terahertz-driven accelerating structures enable high-gradient electron/proton accelerators with simple accelerating structures, high repetition rates and significant charge per bunch. These ultra-compact terahertz accelerators with extremely short electron bunches hold great potential to have a transformative impact for free electron lasers, linear colliders, ultrafast electron diffraction, X-ray science and medical therapy with X-rays and electron beams. PMID:26439410

Terahertz-driven linear electron acceleration

DOE PAGES

Nanni, Emilio A.; Huang, Wenqian R.; Hong, Kyung-Han; ...

2015-10-06

The cost, size and availability of electron accelerators are dominated by the achievable accelerating gradient. Conventional high-brightness radio-frequency accelerating structures operate with 30–50 MeVm -1 gradients. Electron accelerators driven with optical or infrared sources have demonstrated accelerating gradients orders of magnitude above that achievable with conventional radio-frequency structures. However, laser-driven wakefield accelerators require intense femtosecond sources and direct laser-driven accelerators suffer from low bunch charge, sub-micron tolerances and sub-femtosecond timing requirements due to the short wavelength of operation. Here we demonstrate linear acceleration of electrons with keV energy gain using optically generated terahertz pulses. Terahertz-driven accelerating structures enable high-gradient electron/protonmore » accelerators with simple accelerating structures, high repetition rates and significant charge per bunch. As a result, these ultra-compact terahertz accelerators with extremely short electron bunches hold great potential to have a transformative impact for free electron lasers, linear colliders, ultrafast electron diffraction, X-ray science and medical therapy with X-rays and electron beams.« less

Response of bird species densities to habitat structure and fire history along a Midwestern open-forest gradient

USGS Publications Warehouse

Grundel, R.; Pavlovic, N.B.

2007-01-01

Oak savannas were historically common but are currently rare in the Midwestern United States. We assessed possible associations of bird species with savannas and other threatened habitats in the region by relating fire frequency and vegetation characteristics to seasonal densities of 72 bird species distributed across an open-forest gradient in northwestern Indiana. About one-third of the species did not exhibit statistically significant relationships with any combination of seven vegetation characteristics that included vegetation cover in five vertical strata, dead tree density, and tree height. For 40% of the remaining species, models best predicting species density incorporated tree density. Therefore, management based solely on manipulating tree density may not be an adequate strategy for managing bird populations along this open-forest gradient. Few species exhibited sharp peaks in predicted density under habitat conditions expected in restored savannas, suggesting that few savanna specialists occur among Midwestern bird species. When fire frequency, measured over fifteen years, was added to vegetation characteristics as a predictor of species density, it was incorporated into models for about one-quarter of species, suggesting that fire may modify habitat characteristics in ways that are important for birds but not captured by the structural habitat variables measured. Among those species, similar numbers had peaks in predicted density at low, intermediate, or high fire frequency. For species suggested by previous studies to have a preference for oak savannas along the open-forest gradient, estimated density was maximized at an average fire return interval of about one fire every three years. ?? The Cooper Ornithological Society 2007.

The study of the transition regime between slab and mixed slab-toroidal electron temperature gradient modes in a basic experiment

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

Balbaky, Abed; Sokolov, Vladimir; Sen, Amiya K.

2015-05-15

Electron temperature gradient (ETG) modes are suspected sources of anomalous electron thermal transport in magnetically confined plasmas as in tokamaks. Prior work in the Columbia Linear Machine (CLM) has been able to produce and identify slab ETG modes in a slab geometry [Wei et al., Phys. Plasmas 17, 042108 (2010)]. Now by modifying CLM to introduce curvature to the confining axial magnetic field, we have excited mixed slab-toroidal modes. Linear theory predicts a transition between slab and toroidal ETG modes when (k{sub ∥}R{sub c})/(k{sub y}ρ) ∼1 [J. Kim and W. Horton, Phys. Fluids B 3, 1167 (1991)]. We observe changesmore » in the mode amplitude for levels of curvature R{sub c}{sup −1}≪(k{sub ∥,slab})/(k{sub ⊥}ρ) , which may be explained by reductions in k{sub ∥} in the transition from slab to mixed slab-toroidal modes, as also predicted by theory. We present mode amplitude scaling as a function of magnetic field curvature. Over the range of curvature available in CLM experimentally we find a modest increase in saturated ETG potential fluctuations (∼1.5×), and a substantial increase in the power density of individual mode peaks (∼4–5×)« less

Increased electron temperature turbulence during suppression of edge localized mode by resonant magnetic perturbations in the DIII-D tokamak [Increased electron temperature turbulence during edge localized mode (ELM) suppression by resonant magnetic perturbations (RMPs) in the DIII-D tokamak

DOE PAGES

Sung, Choongki; Wang, G.; Rhodes, Terry L.; ...

2017-11-16

We report the first observation of increased edge electron temperature turbulence correlated with changes in gradients and the ELM suppression time which occurs after the application of resonant magnetic perturbations (RMP) on DIII-D H-mode plasmas. This increase (T ~ e/T e approximately doubles) occurs in the region extending from the top of the pedestal outward to the upper part of the edge steep gradient region. This is significant as it is consistent with increased turbulence driven transport potentially replacing some part of the edge localized mode (ELM) driven transport. However, temperature turbulence does not change with the initial RMP applicationmore » while ELMs are still present, indicating the turbulence changes are not causative in the development of ELM suppression or initial profile evolution with RMP – but rather a response to these effects. This temperature turbulence is broadband and long wavelength, k θρ s < 0.5, where k θ = poloidal wavenumber, ρ s = ion sound gyroradius. As has been reported previously, long wavelength density turbulence (k θρ s < 1.0) in the same location also increases after ELMs were suppressed by the RMP. Since the decrease of the density starts nearly immediately with RMP application, these results suggest that the so-called RMP “density pump-out” is not linked to these long wavelength turbulent transport changes. Comparison with linear stability analysis finds both consistencies and inconsistencies in this important region.« less

Thermal and epithermal neutron fluence rate gradient measurements by PADC detectors in LINAC radiotherapy treatments-field

NASA Astrophysics Data System (ADS)

Barrera, M. T.; Barros, H.; Pino, F.; Dávila, J.; Sajo-Bohus, L.

2015-07-01

LINAC VARIAN 2100 is where energetic electrons produce Bremsstrahlung radiation, with energies above the nucleon binding energy (E≈5.5MeV). This radiation induce (γ,n) and (e,e'n) reactions mainly in the natural tungsten target material (its total photoneutron cross section is about 4000 mb in a energy range from 9-17 MeV). These reactions may occur also in other components of the system (e.g. multi leaf collimator). During radiation treatment the human body may receive an additional dose inside and outside the treated volume produced by the mentioned nuclear reactions. We measured the neutron density at the treatment table using nuclear track detectors (PADC-NTD). These covered by a boron-converter are employed, including a cadmium filter, to determine the ratio between two groups of neutron energy, i.e. thermal and epithermal. The PADC-NTD detectors were exposed to the radiation field at the iso-center during regular operation of the accelerator. Neutron are determined indirectly by the converting reaction 10B(n,α)7Li the emerging charged particle leave their kinetic energy in the PADC forming a latent nuclear track, enlarged by chemical etching (6N, NaOH, 70°C). Track density provides information on the neutron density through calibration coefficient (˜1.6 104 neutrons /track) obtained by a californium source. We report the estimation of the thermal and epithermal neutron field and its gradient for photoneutrons produced in radiotherapy treatments with 18 MV linear accelerators. It was obsered that photoneutron production have higher rate at the iso-center.

Increased electron temperature turbulence during suppression of edge localized mode by resonant magnetic perturbations in the DIII-D tokamak [Increased electron temperature turbulence during edge localized mode (ELM) suppression by resonant magnetic perturbations (RMPs) in the DIII-D tokamak

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

Sung, Choongki; Wang, G.; Rhodes, Terry L.

We report the first observation of increased edge electron temperature turbulence correlated with changes in gradients and the ELM suppression time which occurs after the application of resonant magnetic perturbations (RMP) on DIII-D H-mode plasmas. This increase (T ~ e/T e approximately doubles) occurs in the region extending from the top of the pedestal outward to the upper part of the edge steep gradient region. This is significant as it is consistent with increased turbulence driven transport potentially replacing some part of the edge localized mode (ELM) driven transport. However, temperature turbulence does not change with the initial RMP applicationmore » while ELMs are still present, indicating the turbulence changes are not causative in the development of ELM suppression or initial profile evolution with RMP – but rather a response to these effects. This temperature turbulence is broadband and long wavelength, k θρ s < 0.5, where k θ = poloidal wavenumber, ρ s = ion sound gyroradius. As has been reported previously, long wavelength density turbulence (k θρ s < 1.0) in the same location also increases after ELMs were suppressed by the RMP. Since the decrease of the density starts nearly immediately with RMP application, these results suggest that the so-called RMP “density pump-out” is not linked to these long wavelength turbulent transport changes. Comparison with linear stability analysis finds both consistencies and inconsistencies in this important region.« less

Hydrodynamic Model for Density Gradients Instability in Hall Plasmas Thrusters

NASA Astrophysics Data System (ADS)

Singh, Sukhmander

2017-10-01

There is an increasing interest for a correct understanding of purely growing electromagnetic and electrostatic instabilities driven by a plasma gradient in a Hall thruster devices. In Hall thrusters, which are typically operated with xenon, the thrust is provided by the acceleration of ions in the plasma generated in a discharge chamber. The goal of this paper is to study the instabilities due to gradients of plasma density and conditions for the growth rate and real part of the frequency for Hall thruster plasmas. Inhomogeneous plasmas prone a wide class of eigen modes induced by inhomogeneities of plasma density and called drift waves and instabilities. The growth rate of the instability has a dependences on the magnetic field, plasma density, ion temperature and wave numbers and initial drift velocities of the plasma species.

A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization

PubMed Central

Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang

2015-01-01

It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence—with at most a linear convergence rate—because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method. PMID:26381742

A Conjugate Gradient Algorithm with Function Value Information and N-Step Quadratic Convergence for Unconstrained Optimization.

PubMed

Li, Xiangrong; Zhao, Xupei; Duan, Xiabin; Wang, Xiaoliang

2015-01-01

It is generally acknowledged that the conjugate gradient (CG) method achieves global convergence--with at most a linear convergence rate--because CG formulas are generated by linear approximations of the objective functions. The quadratically convergent results are very limited. We introduce a new PRP method in which the restart strategy is also used. Moreover, the method we developed includes not only n-step quadratic convergence but also both the function value information and gradient value information. In this paper, we will show that the new PRP method (with either the Armijo line search or the Wolfe line search) is both linearly and quadratically convergent. The numerical experiments demonstrate that the new PRP algorithm is competitive with the normal CG method.

Density-Gradient Theory: A Macroscopic Approach to Quantum Confinement and Tunneling in Semiconductor Devices

DTIC Science & Technology

2011-01-01

that are attractive as luminescent biolabels, and possibly also for optoelectronic devices and solar cells . The equilibrium nature of such situations...The boundary layers as- sociated with the diffusion and Debye lengths are familiar, while that of LQ defines the layer in which the quantum in...circuits, transmission lines Diffusion -drift, density-gradient Semi-classical electron dynamics, Boltzmann transport Schrödinger, density- matrix, Wigner

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

Constantin, Lucian A.; Fabiano, Eduardo; Della Sala, Fabio

We introduce a novel non-local ingredient for the construction of exchange density functionals: the reduced Hartree parameter, which is invariant under the uniform scaling of the density and represents the exact exchange enhancement factor for one- and two-electron systems. The reduced Hartree parameter is used together with the conventional meta-generalized gradient approximation (meta-GGA) semilocal ingredients (i.e., the electron density, its gradient, and the kinetic energy density) to construct a new generation exchange functional, termed u-meta-GGA. This u-meta-GGA functional is exact for the exchange of any one- and two-electron systems, is size-consistent and non-empirical, satisfies the uniform density scaling relation, andmore » recovers the modified gradient expansion derived from the semiclassical atom theory. For atoms, ions, jellium spheres, and molecules, it shows a good accuracy, being often better than meta-GGA exchange functionals. Our construction validates the use of the reduced Hartree ingredient in exchange-correlation functional development, opening the way to an additional rung in the Jacob’s ladder classification of non-empirical density functionals.« less

Analyse des donnees gravimetriques en forage d'un gisement de sulfures massifs volcanogenes dans un contexte geologique complexe

NASA Astrophysics Data System (ADS)

Nackers, Gabrielle-Claudine

A forward modeling and an inversion code have been developed to study the use of the borehole gravity method for exploration of volcanogenic massif sulphides (VMS) deposits in the Abitibi region of Quebec. Two problems are associated with the gravity method: acquiring data can be a long and costly method in the context where there is a limited quantity of boreholes and the separation of the response caused by the immediate or local geology and the response of deeper and farther formations called the regional. The principal objective of this master's project is to analyse those two major problems by modelling and inverting synthetic data. The specific objectives are the optimisation of the data acquisition settings and the regional-residual anomaly separation. The forward modeling method is based on the prismatic method described by Li and Chouteau (1998). A stochastic approach developed by Shamsipour et al. (2010) is chosen for the inversion and was adapted for borehole data. A density model of a typical VMS ore deposit was designed based on a number of well-known mines in the region of Rouyn-Noranda, Val-d'Or and Matagami. The data acquisition settings include the number of boreholes, their location and data collection sampling in the boreholes. Since the borehole gravity method is a costly geophysics method, it is best to know well the influence of the data acquisition settings to be able to optimise them. A minimum of three boreholes within appropriate distance from the target is required to locate any structure. When four boreholes situated at the detectability range of the deposit are used, it can be located with precision. In the scenario where the borehole gravity method is used to calculate the excess mass of a deposit and to define its structure, at least four boreholes should be used with one intercepting the deposit and fixed densities or gradient constraints must be applied. A 10m sampling interval is recommended. If the position of the deposit is known, a good compromise is to use a larger interval far from the deposit and use a 10m interval when the borehole is closer to the deposit. The regional-residual anomaly separation is a very important aspect of the data interpretation. Up to now no technic is effective in performing an optimal separation. Three different methods are used in this project; these methods are the vertical gradient, a non-linear filter and a wavelet filter. Once the data has been treated, the inverted density model is compared to the initial model. Though the different methods do not calculate the same residual, the results are fairly similar. All the methods can position the deposit well, but the shape differs from the initial model. Also, the excess mass calculated are similar to each other, but they are a bit underestimated compared to the real excess mass. Non-linear and wavelet filtering were proven to be the best methods to calculate results closest to the actual model. The vertical gradient grossly underestimates the density contrasts when no borehole intercepts the deposit. Furthermore, when the method is applied to evaluate the deposit, the shape is not recovered and the excess mass is underestimated even when constraints are used. Real borehole gravity data was acquired over and in the vicinity of the Virginia Gold's Coulon deposit (Quebec, Canada). A model was built using borehole electromagnetic data and geological data. This model is used to compare the inverted results. The three regional-residual anomaly separation methods were applied to the Bouguer anomaly of the Coulon data as well as the graphical method. Like for the synthetic data the residual calculated differed from method to method but the results resembled one another. The shapes of the structure calculated by the graphical, non-linear filtering and wavelet filtering methods were essentially the same. It was also observed that the excess masses calculated by graphical method and non-linear method were similar. Finally, the excess masses calculated by vertical gradient and wavelet filter were a bit lower.

Self-Consistent Optimization of Excited States within Density-Functional Tight-Binding.

PubMed

Kowalczyk, Tim; Le, Khoa; Irle, Stephan

2016-01-12

We present an implementation of energies and gradients for the ΔDFTB method, an analogue of Δ-self-consistent-field density functional theory (ΔSCF) within density-functional tight-binding, for the lowest singlet excited state of closed-shell molecules. Benchmarks of ΔDFTB excitation energies, optimized geometries, Stokes shifts, and vibrational frequencies reveal that ΔDFTB provides a qualitatively correct description of changes in molecular geometries and vibrational frequencies due to excited-state relaxation. The accuracy of ΔDFTB Stokes shifts is comparable to that of ΔSCF-DFT, and ΔDFTB performs similarly to ΔSCF with the PBE functional for vertical excitation energies of larger chromophores where the need for efficient excited-state methods is most urgent. We provide some justification for the use of an excited-state reference density in the DFTB expansion of the electronic energy and demonstrate that ΔDFTB preserves many of the properties of its parent ΔSCF approach. This implementation fills an important gap in the extended framework of DFTB, where access to excited states has been limited to the time-dependent linear-response approach, and affords access to rapid exploration of a valuable class of excited-state potential energy surfaces.

Effect of q-nonextensive parameter and saturation time on electron density steepening in electron-positron-ion plasmas

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

Hashemzadeh, M., E-mail: hashemzade@gmail.com

2015-11-15

The effect of q-nonextensive parameter and saturation time on the electron density steepening in electron-positron-ion plasmas is studied by particle in cell method. Phase space diagrams show that the size of the holes, and consequently, the number of trapped particles strongly depends on the q-parameter and saturation time. Furthermore, the mechanism of the instability and exchange of energy between electron-positron and electric field is explained by the profiles of the energy density. Moreover, it is found that the q-parameter, saturation time, and electron and positron velocities affect the nonlinear evolution of the electron density which leads to the steepening ofmore » its structure. The q-nonextensive parameter or degree of nonextensivity is the relation between temperature gradient and potential energy of the system. Therefore, the deviation of q-parameter from unity indicates the degree of inhomogeneity of temperature or deviation from equilibrium. Finally, using the kinetic theory, a generalized q-dispersion relation is presented for electron-positron-ion plasma systems. It is found that the simulation results in the linear regime are in good agreement with the growth rate results obtained by the kinetic theory.« less

Floristic composition and across-track reflectance gradient in Landsat images over Amazonian forests

NASA Astrophysics Data System (ADS)

Muro, Javier; doninck, Jasper Van; Tuomisto, Hanna; Higgins, Mark A.; Moulatlet, Gabriel M.; Ruokolainen, Kalle

2016-09-01

Remotely sensed image interpretation or classification of tropical forests can be severely hampered by the effects of the bidirectional reflection distribution function (BRDF). Even for narrow swath sensors like Landsat TM/ETM+, the influence of reflectance anisotropy can be sufficiently strong to introduce a cross-track reflectance gradient. If the BRDF could be assumed to be linear for the limited swath of Landsat, it would be possible to remove this gradient during image preprocessing using a simple empirical method. However, the existence of natural gradients in reflectance caused by spatial variation in floristic composition of the forest can restrict the applicability of such simple corrections. Here we use floristic information over Peruvian and Brazilian Amazonia acquired through field surveys, complemented with information from geological maps, to investigate the interaction of real floristic gradients and the effect of reflectance anisotropy on the observed reflectances in Landsat data. In addition, we test the assumption of linearity of the BRDF for a limited swath width, and whether different primary non-inundated forest types are characterized by different magnitudes of the directional reflectance gradient. Our results show that a linear function is adequate to empirically correct for view angle effects, and that the magnitude of the across-track reflectance gradient is independent of floristic composition in the non-inundated forests we studied. This makes a routine correction of view angle effects possible. However, floristic variation complicates the issue, because different forest types have different mean reflectances. This must be taken into account when deriving the correction function in order to avoid eliminating natural gradients.

Light acclimation optimizes leaf functional traits despite height-related constraints in a canopy shading experiment.

PubMed

Coble, Adam P; Cavaleri, Molly A

2015-04-01

Within-canopy gradients of leaf functional traits have been linked to both light availability and vertical gradients in leaf water potential. While observational studies can reveal patterns in leaf traits, within-canopy experimental manipulations can provide mechanistic insight to tease apart multiple interacting drivers. Our objectives were to disentangle effects of height and light environment on leaf functional traits by experimentally shading branches along vertical gradients within a sugar maple (Acer saccharum) forest. Shading reduced leaf mass per area (LMA), leaf density, area-based leaf nitrogen (N(area)), and carbon:nitrogen (C:N) ratio, and increased mass-based leaf nitrogen (N(mass)), highlighting the importance of light availability on leaf morphology and chemistry. Early in the growing season, midday leaf water potential (Ψ(mid)), LMA, and N(area) were driven primarily by height; later in the growing season, light became the most important driver for LMA and Narea. Carbon isotope composition (δ(13)C) displayed strong, linear correlations with height throughout the growing season, but did not change with shading, implying that height is more influential than light on water use efficiency and stomatal behavior. LMA, leaf density, N(mass), C:N ratio, and δ(13)C all changed seasonally, suggesting that leaf ageing effects on leaf functional traits are equally as important as microclimatic conditions. Overall, our results indicate that: (1) stomatal sensitivity to vapor pressure deficit or Ψ(mid) constrains the supply of CO2 to leaves at higher heights, independent of light environment, and (2) LMA and N(area) distributions become functionally optimized through morphological acclimation to light with increasing leaf age despite height-related constraints.

Solvent effects in time-dependent self-consistent field methods. II. Variational formulations and analytical gradients

DOE PAGES

Bjorgaard, J. A.; Velizhanin, K. A.; Tretiak, S.

2015-08-06

This study describes variational energy expressions and analytical excited state energy gradients for time-dependent self-consistent field methods with polarizable solvent effects. Linear response, vertical excitation, and state-specific solventmodels are examined. Enforcing a variational ground stateenergy expression in the state-specific model is found to reduce it to the vertical excitation model. Variational excited state energy expressions are then provided for the linear response and vertical excitation models and analytical gradients are formulated. Using semiempiricalmodel chemistry, the variational expressions are verified by numerical and analytical differentiation with respect to a static external electric field. Lastly, analytical gradients are further tested by performingmore » microcanonical excited state molecular dynamics with p-nitroaniline.« less

Functional linear models to test for differences in prairie wetland hydraulic gradients

USGS Publications Warehouse

Greenwood, Mark C.; Sojda, Richard S.; Preston, Todd M.; Swayne, David A.; Yang, Wanhong; Voinov, A.A.; Rizzoli, A.; Filatova, T.

2010-01-01

Functional data analysis provides a framework for analyzing multiple time series measured frequently in time, treating each series as a continuous function of time. Functional linear models are used to test for effects on hydraulic gradient functional responses collected from three types of land use in Northeastern Montana at fourteen locations. Penalized regression-splines are used to estimate the underlying continuous functions based on the discretely recorded (over time) gradient measurements. Permutation methods are used to assess the statistical significance of effects. A method for accommodating missing observations in each time series is described. Hydraulic gradients may be an initial and fundamental ecosystem process that responds to climate change. We suggest other potential uses of these methods for detecting evidence of climate change.

Evaluation of differences between dual salt-pH gradient elution and mono gradient elution using a thermodynamic model: Simultaneous separation of six monoclonal antibody charge and size variants on preparative-scale ion exchange chromatographic resin.

PubMed

Lee, Yi Feng; Jöhnck, Matthias; Frech, Christian

2018-02-21

The efficiencies of mono gradient elution and dual salt-pH gradient elution for separation of six mAb charge and size variants on a preparative-scale ion exchange chromatographic resin are compared in this study. Results showed that opposite dual salt-pH gradient elution with increasing pH gradient and simultaneously decreasing salt gradient is best suited for the separation of these mAb charge and size variants on Eshmuno ® CPX. Besides giving high binding capacity, this type of opposite dual salt-pH gradient also provides better resolved mAb variant peaks and lower conductivity in the elution pools compared to single pH or salt gradients. To have a mechanistic understanding of the differences in mAb variants retention behaviors of mono pH gradient, parallel dual salt-pH gradient, and opposite dual salt-pH gradient, a linear gradient elution model was used. After determining the model parameters using the linear gradient elution model, 2D plots were used to show the pH and salt dependencies of the reciprocals of distribution coefficient, equilibrium constant, and effective ionic capacity of the mAb variants in these gradient elution systems. Comparison of the 2D plots indicated that the advantage of opposite dual salt-pH gradient system with increasing pH gradient and simultaneously decreasing salt gradient is the noncontinuous increased acceleration of protein migration. Furthermore, the fitted model parameters can be used for the prediction and optimization of mAb variants separation in dual salt-pH gradient and step elution. © 2018 American Institute of Chemical Engineers Biotechnol. Prog., 2018. © 2018 American Institute of Chemical Engineers.

A theoretical investigation of symmetry-origin unidirectional energy gradient in light-harvesting dendrimers.

PubMed

Koda, Shin-ichi

2016-03-21

We theoretically investigate a possibility that the symmetry of the repetitively branched structure of light-harvesting dendrimers creates the energy gradient descending toward inner generations (layers of pigment molecules) of the dendrimers. In the first half of this paper, we define a model system using the Frenkel exciton Hamiltonian that focuses only on the topology of dendrimers and numerically show that excitation energy tends to gather at inner generations of the model system at a thermal equilibrium state. This indicates that an energy gradient is formed in the model system. In the last half, we attribute this result to the symmetry of the model system and propose two symmetry-origin mechanisms creating the energy gradient. The present analysis and proposition are based on the theory of the linear chain (LC) decomposition [S. Koda, J. Chem. Phys. 142, 204112 (2015)], which equivalently transforms the model system into a set of one-dimensional systems on the basis of the symmetry of dendrimers. In the picture of the LC decomposition, we find that energy gradient is formed both in each linear chain and among linear chains, and these two mechanisms explain the numerical results well.

A theoretical investigation of symmetry-origin unidirectional energy gradient in light-harvesting dendrimers

NASA Astrophysics Data System (ADS)

Koda, Shin-ichi

2016-03-01

We theoretically investigate a possibility that the symmetry of the repetitively branched structure of light-harvesting dendrimers creates the energy gradient descending toward inner generations (layers of pigment molecules) of the dendrimers. In the first half of this paper, we define a model system using the Frenkel exciton Hamiltonian that focuses only on the topology of dendrimers and numerically show that excitation energy tends to gather at inner generations of the model system at a thermal equilibrium state. This indicates that an energy gradient is formed in the model system. In the last half, we attribute this result to the symmetry of the model system and propose two symmetry-origin mechanisms creating the energy gradient. The present analysis and proposition are based on the theory of the linear chain (LC) decomposition [S. Koda, J. Chem. Phys. 142, 204112 (2015)], which equivalently transforms the model system into a set of one-dimensional systems on the basis of the symmetry of dendrimers. In the picture of the LC decomposition, we find that energy gradient is formed both in each linear chain and among linear chains, and these two mechanisms explain the numerical results well.

Isoelectric focusing of red blood cells in a density gradient stabilized column

NASA Technical Reports Server (NTRS)

Smolka, A. J. K.; Miller, T. Y.

1980-01-01

The effects of Ficoll and cell application pH on red blood cell electrophoretic mobility and focusing pH were investigated by focusing cells in a density gradient stabilized column. Sample loading, cell dispersion, column conductivity, resolution of separation, and the effect of Ampholines were examined.

Geologic and geophysical data for wells drilled at Raft River Valley, Cassia County, Idaho, in 1977-1978 and data for wells drilled previously

USGS Publications Warehouse

Nathenson, Manuel; Urban, Thomas C.; Covington, Harry R.

2014-01-01

For purposes of defining the thermal anomaly for the geothermal system, temperature gradients are calculated over long depth intervals on the basis of the appearance of reasonable linear segments on a temperature versus plot depth.  Temperature versus depth data for some drill holes can be represented by a single gradient, whereas others require multiple gradients to match the data.  Data for some drill holes clearly reflect vertical flows of water in the formation surrounding the drill holes, and water velocities are calculated for these drill holes.  Within The Narrows area, temperature versus depth data show reversals at different depth in different drill holes.  In the main thermal area, temperatures in intermediate-depth drill holes vary approximately linearly but with very high values of temperature gradient.  Temperature gradients on a map of the area can be reasonable divided into a large area of regional gradients and smaller areas defining the thermal anomalies.

First-principles study of the structural, electronic and thermal properties of CaLiF3

NASA Astrophysics Data System (ADS)

Chouit, N.; Amara Korba, S.; Slimani, M.; Meradji, H.; Ghemid, S.; Khenata, R.

2013-09-01

Density functional theory calculations have been performed to study the structural, electronic and optical properties of CaLiF3 cubic fluoroperovskite. Our calculations were carried out by means of the full-potential linearized augmented plane-wave method. The exchange-correlation potential is treated by the local density approximation and the generalized gradient approximation (GGA) (Perdew, Burke and Ernzerhof). Moreover, the alternative form of GGA proposed by Engel and Vosko is also used for band structure calculations. The calculated total energy versus volume allows us to obtain structural properties such as the lattice constant (a0), bulk modulus (B0) and pressure derivative of the bulk modulus (B'0 ). Band structure, density of states and band gap pressure coefficients are also given. Our calculations show that CaLiF3 has an indirect band gap (R-Γ). Following the quasi-harmonic Debye model, in which the phononic effects are considered, the temperature and pressure effects on the lattice constant, bulk modulus, thermal expansion coefficient, Debye temperature and heat capacities are calculated.

Evolution of the orbitals Dy-4f in the DyB2 compound using the LDA, PBE approximations, and the PBE0 hybrid functional

NASA Astrophysics Data System (ADS)

Rasero Causil, Diego; Ortega López, César; Espitia Rico, Miguel

2018-04-01

Computational calculations of total energy based on density functional theory were used to investigate the structural, electronic, and magnetic properties of the DyB2 compounds in the hexagonal structure. The calculations were carried out by means of the full-potential linearized augmented plane wave (FP-LAPW) method, employing the computational Wien2k package. The local density approximation (LDA) and the generalized gradient approximation (GGA) were used for the electron-electron interactions. Additionally, we used the functional hybrid PBE0 for a better description the electronic and magnetic properties, because the DyB2 compound is a strongly-correlated system. We found that the calculated lattice constant agrees well with the values reported theoretically and experimentally. The density of states (DOS) calculation shows that the compound exhibits a metallic behavior and has magnetic properties, with a total magnetic moment of 5.47 μ0/cell determined mainly by the 4f states of the rare earth elements. The functional PBE0 shows a strong localization of the Dy-4f orbitals.

Local relative density modulates failure and strength in vertically aligned carbon nanotubes.

PubMed

Pathak, Siddhartha; Mohan, Nisha; Decolvenaere, Elizabeth; Needleman, Alan; Bedewy, Mostafa; Hart, A John; Greer, Julia R

2013-10-22

Micromechanical experiments, image analysis, and theoretical modeling revealed that local failure events and compressive stresses of vertically aligned carbon nanotubes (VACNTs) were uniquely linked to relative density gradients. Edge detection analysis of systematically obtained scanning electron micrographs was used to quantify a microstructural figure-of-merit related to relative local density along VACNT heights. Sequential bottom-to-top buckling and hardening in stress-strain response were observed in samples with smaller relative density at the bottom. When density gradient was insubstantial or reversed, bottom regions always buckled last, and a flat stress plateau was obtained. These findings were consistent with predictions of a 2D material model based on a viscoplastic solid with plastic non-normality and a hardening-softening-hardening plastic flow relation. The hardening slope in compression generated by the model was directly related to the stiffness gradient along the sample height, and hence to the local relative density. These results demonstrate that a microstructural figure-of-merit, the effective relative density, can be used to quantify and predict the mechanical response.

3D Imaging of Density Gradients Using Plenoptic BOS

NASA Astrophysics Data System (ADS)

Klemkowsky, Jenna; Clifford, Chris; Fahringer, Timothy; Thurow, Brian

2016-11-01

The combination of background oriented schlieren (BOS) and a plenoptic camera, termed Plenoptic BOS, is explored through two proof-of-concept experiments. The motivation of this work is to provide a 3D technique capable of observing density disturbances. BOS uses the relationship between density and refractive index gradients to observe an apparent shift in a patterned background through image comparison. Conventional BOS systems acquire a single line-of-sight measurement, and require complex configurations to obtain 3D measurements, which are not always conducive to experimental facilities. Plenoptic BOS exploits the plenoptic camera's ability to generate multiple perspective views and refocused images from a single raw plenoptic image during post processing. Using such capabilities, with regards to BOS, provides multiple line-of-sight measurements of density disturbances, which can be collectively used to generate refocused BOS images. Such refocused images allow the position of density disturbances to be qualitatively and quantitatively determined. The image that provides the sharpest density gradient signature corresponds to a specific depth. These results offer motivation to advance Plenoptic BOS with an ultimate goal of reconstructing a 3D density field.

Electrokinetic flow in a capillary with a charge-regulating surface polymer layer.

PubMed

Keh, Huan J; Ding, Jau M

2003-07-15

An analytical study of the steady electrokinetic flow in a long uniform capillary tube or slit is presented. The inside wall of the capillary is covered by a layer of adsorbed or covalently bound charge-regulating polymer in equilibrium with the ambient electrolyte solution. In this solvent-permeable and ion-penetrable surface polyelectrolyte layer, ionogenic functional groups and frictional segments are assumed to distribute at uniform densities. The electrical potential and space charge density distributions in the cross section of the capillary are obtained by solving the linearized Poisson-Boltzmann equation. The fluid velocity profile due to the application of an electric field and a pressure gradient through the capillary is obtained from the analytical solution of a modified Navier-Stokes/Brinkman equation. Explicit formulas for the electroosmotic velocity, the average fluid velocity and electric current density on the cross section, and the streaming potential in the capillary are also derived. The results demonstrate that the direction of the electroosmotic flow and the magnitudes of the fluid velocity and electric current density are dominated by the fixed charge density inside the surface polymer layer, which is determined by the regulation characteristics such as the dissociation equilibrium constants of the ionogenic functional groups in the surface layer and the concentration of the potential-determining ions in the bulk solution.

Electronic properties of RDX and HMX: Compton scattering experiment and first-principles calculation.

PubMed

Ahuja, B L; Jain, Pradeep; Sahariya, Jagrati; Heda, N L; Soni, Pramod

2013-07-11

The first-ever electron momentum density (EMD) measurements of explosive materials, namely, RDX (1,3,5-trinitro-1,3,5-triazacyclohexane, (CH2-N-NO2)3) and HMX (1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane, (CH2-N-NO2)4), have been reported using a 740 GBq (137)Cs Compton spectrometer. Experimental Compton profiles (CPs) are compared with the EMDs derived from linear combination of atomic orbitals with density functional theory. It is found that the CPs deduced from generalized gradient approximation (GGA) with Wu-Cohen exchange energies give a better agreement with the corresponding experimental profiles than those from local density approximation and other schemes of GGA. Further, Mulliken population, energy bands, partial and total density of states, and band gap have also been reported using GGA calculations. Present ground state calculations unambiguously show large band gap semiconductor nature of both RDX and HMX. A similar type of bonding in these materials is uniquely established using Compton data and density of states. It is also outstandingly consistent with the Mulliken population, which predicts almost equal amount of charge transfer (0.84 and 0.83 e(-)) from H1 + H2 + N2 to C1 + N1 + O1 + O2 in both the explosives.

Multilayer integral method for simulation of eddy currents in thin volumes of arbitrary geometry produced by MRI gradient coils.

PubMed

Sanchez Lopez, Hector; Freschi, Fabio; Trakic, Adnan; Smith, Elliot; Herbert, Jeremy; Fuentes, Miguel; Wilson, Stephen; Liu, Limei; Repetto, Maurizio; Crozier, Stuart

2014-05-01

This article aims to present a fast, efficient and accurate multi-layer integral method (MIM) for the evaluation of complex spatiotemporal eddy currents in nonmagnetic and thin volumes of irregular geometries induced by arbitrary arrangements of gradient coils. The volume of interest is divided into a number of layers, wherein the thickness of each layer is assumed to be smaller than the skin depth and where one of the linear dimensions is much smaller than the remaining two dimensions. The diffusion equation of the current density is solved both in time-harmonic and transient domain. The experimentally measured magnetic fields produced by the coil and the induced eddy currents as well as the corresponding time-decay constants were in close agreement with the results produced by the MIM. Relevant parameters such as power loss and force induced by the eddy currents in a split cryostat were simulated using the MIM. The proposed method is capable of accurately simulating the current diffusion process inside thin volumes, such as the magnet cryostat. The method permits the priori-calculation of optimal pre-emphasis parameters. The MIM enables unified designs of gradient coil-magnet structures for an optimal mitigation of deleterious eddy current effects. Copyright © 2013 Wiley Periodicals, Inc.

Electrostatic drift instability in a magnetotail configuration: The role of bouncing electrons

NASA Astrophysics Data System (ADS)

Fruit, G.; Louarn, P.; Tur, A.

2017-03-01

To understand the possible destabilization of two-dimensional current sheets, a kinetic model is proposed to describe the resonant interaction between electrostatic modes and trapped electrons that bounce within the sheet. This work follows the initial investigation by Tur, Louarn, and Yanovsky [Phys. Plasmas 17, 102905 (2010)] and Fruit, Louarn, and Tur [Phys. Plasmas 20, 022113 (2013)] that is revised and extended. Using a quasi-dipolar equilibrium state, the linearized gyro-kinetic Vlasov equation is solved for electrostatic fluctuations with a period of the order of the electron bounce period. Using an appropriated Fourier expansion of the particle motion along the magnetic field, the complete time integration of the non-local perturbed distribution functions is performed. The dispersion relation for electrostatic modes is then obtained through the quasineutrality condition. It is found that for a mildly stretched configuration ( L ˜8 ), strongly unstable electrostatic modes may develop in the current sheet with the growth rate of the order of a few seconds provided that the background density gradient responsible for the diamagnetic drift effects is sharp enough: typical length scale over one Earth radius or less. However, when this condition in the density gradient is not met, these electrostatic modes grow too slowly to be accountable for a rapid destabilization of the magnetic structure. This strong but finely tuned instability may offer opportunities to explain features in magnetospheric substorms.

Simulation and mitigation of higher-order ionospheric errors in PPP

NASA Astrophysics Data System (ADS)

Zus, Florian; Deng, Zhiguo; Wickert, Jens

2017-04-01

We developed a rapid and precise algorithm to compute ionospheric phase advances in a realistic electron density field. The electron density field is derived from a plasmaspheric extension of the International Reference Ionosphere (Gulyaeva and Bilitza, 2012) and the magnetic field stems from the International Geomagnetic Reference Field. For specific station locations, elevation and azimuth angles the ionospheric phase advances are stored in a look-up table. The higher-order ionospheric residuals are computed by forming the standard linear combination of the ionospheric phase advances. In a simulation study we examine how the higher-order ionospheric residuals leak into estimated station coordinates, clocks, zenith delays and tropospheric gradients in precise point positioning. The simulation study includes a few hundred globally distributed stations and covers the time period 1990-2015. We take a close look on the estimated zenith delays and tropospheric gradients as they are considered a data source for meteorological and climate related research. We also show how the by product of this simulation study, the look-up tables, can be used to mitigate higher-order ionospheric errors in practise. Gulyaeva, T.L., and Bilitza, D. Towards ISO Standard Earth Ionosphere and Plasmasphere Model. In: New Developments in the Standard Model, edited by R.J. Larsen, pp. 1-39, NOVA, Hauppauge, New York, 2012, available at https://www.novapublishers.com/catalog/product_info.php?products_id=35812

Ab-initio thermodynamic and elastic properties of AlNi and AlNi3 intermetallic compounds

NASA Astrophysics Data System (ADS)

Yalameha, Shahram; Vaez, Aminollah

2018-04-01

In this paper, thermodynamic and elastic properties of the AlNi and AlNi3 were investigated using density functional theory (DFT). The full-potential linearized augmented plane-wave (APW) in the framework of the generalized gradient approximation as used as implemented in the Wien2k package. The temperature dependence of thermal expansion coefficient, bulk modulus and heat capacity in a wide range of temperature (0-1600 K) were investigated. The calculated elastic properties of the compounds show that both intermetallic compounds of AlNi and AlNi3 have surprisingly negative Poisson’s ratio (NPR). The results were compared with other experimental and computational data.

DNA stable-isotope probing (DNA-SIP).

PubMed

Dunford, Eric A; Neufeld, Josh D

2010-08-02

DNA stable-isotope probing (DNA-SIP) is a powerful technique for identifying active microorganisms that assimilate particular carbon substrates and nutrients into cellular biomass. As such, this cultivation-independent technique has been an important methodology for assigning metabolic function to the diverse communities inhabiting a wide range of terrestrial and aquatic environments. Following the incubation of an environmental sample with stable-isotope labelled compounds, extracted nucleic acid is subjected to density gradient ultracentrifugation and subsequent gradient fractionation to separate nucleic acids of differing densities. Purification of DNA from cesium chloride retrieves labelled and unlabelled DNA for subsequent molecular characterization (e.g. fingerprinting, microarrays, clone libraries, metagenomics). This JoVE video protocol provides visual step-by-step explanations of the protocol for density gradient ultracentrifugation, gradient fractionation and recovery of labelled DNA. The protocol also includes sample SIP data and highlights important tips and cautions that must be considered to ensure a successful DNA-SIP analysis.

Along-shelf current variability on the Catalan inner-shelf (NW Mediterranean)

USGS Publications Warehouse

Grifoll, Manel; Aretxabaleta, Alfredo L.; Espino, Manuel; Warner, John C.

2012-01-01

We examine the circulation over the inner shelf of the Catalan Sea using observations of currents obtained from three ADCPs within the inner-shelf (24 and 50 m depth) during March-April 2011. The along-shelf current fluctuations during that period are mainly controlled by the local wind stress on short time scales and by remote pressure gradients on synoptic time scales. Different forcing mechanisms are involved in the along-shelf momentum balance. During storm conditions, wind stress, sea level gradients and the non-linear terms dominate the balance. During weak wind conditions, the momentum balance is controlled by the pressure gradient, while during periods of moderate wind in the presence of considerable stratification, the balance is established between the Coriolis and wind stress terms. Vertical variations of velocity are affected by the strong observed density gradient. The increased vertical shear is accompanied by the development of stratified conditions due to local heating when the wind is not able to counteract (and destroy) stratification. The occasional influence of the Besòs river plume is observed in time scales of hours to days in a limited area in front of Barcelona. The area affected by the plume depends on the vertical extend of the fresher layer, the fast river discharge peak, and the relaxation of cross-shore velocities after northeast storm events. This contribution provides a first interpretation of the inner-shelf dynamics in the Catalan Sea.

Land surface phenology and land surface temperature changes along an urban-rural gradient in Yangtze River Delta, china.

PubMed

Han, Guifeng; Xu, Jianhua

2013-07-01

Using SPOT/VGT NDVI time series images (2002-2009) and MODIS/LST images (2002-2009) smoothed by a Savitzky-Golay filter, the land surface phenology (LSP) and land surface temperature (LST), respectively, are extracted for six cities in the Yangtze River Delta, China, including Shanghai, Hangzhou, Nanjing, Changzhou, Wuxi, and Suzhou. The trends of the averaged LSP and LST are analyzed, and the relationship between these values is revealed along the urban-rural gradient. The results show that urbanization advances the start of the growing season, postpones the end of the growing season, prolongs the growing season length (GSL), and reduces the difference between maximal NDVI and minimal NDVI in a year (NDVIamp). More obvious changes occur in surface vegetation phenology as the urbanized area is approached. The LST drops monotonously and logarithmically along the urban-rural gradient. Urbanization generally affects the LSP of the surrounding vegetation within 6 km to the urban edge. Except for GSL, the difference in the LSP between urban and rural areas has a significant logarithmic relationship with the distance to the urban edge. In addition, there is a very strong linear relationship between the LSP and the LST along the urban-rural gradient, especially within 6 km to the urban edge. The correlations between LSP and gross domestic product and population density reveal that human activities have considerable influence on the land surface vegetation growth.

Non-linear osmosis

PubMed Central

Diamond, Jared M.

1966-01-01

1. The relation between osmotic gradient and rate of osmotic water flow has been measured in rabbit gall-bladder by a gravimetric procedure and by a rapid method based on streaming potentials. Streaming potentials were directly proportional to gravimetrically measured water fluxes. 2. As in many other tissues, water flow was found to vary with gradient in a markedly non-linear fashion. There was no consistent relation between the water permeability and either the direction or the rate of water flow. 3. Water flow in response to a given gradient decreased at higher osmolarities. The resistance to water flow increased linearly with osmolarity over the range 186-825 m-osM. 4. The resistance to water flow was the same when the gall-bladder separated any two bathing solutions with the same average osmolarity, regardless of the magnitude of the gradient. In other words, the rate of water flow is given by the expression (Om — Os)/[Ro′ + ½k′ (Om + Os)], where Ro′ and k′ are constants and Om and Os are the bathing solution osmolarities. 5. Of the theories advanced to explain non-linear osmosis in other tissues, flow-induced membrane deformations, unstirred layers, asymmetrical series-membrane effects, and non-osmotic effects of solutes could not explain the results. However, experimental measurements of water permeability as a function of osmolarity permitted quantitative reconstruction of the observed water flow—osmotic gradient curves. Hence non-linear osmosis in rabbit gall-bladder is due to a decrease in water permeability with increasing osmolarity. 6. The results suggest that aqueous channels in the cell membrane behave as osmometers, shrinking in concentrated solutions of impermeant molecules and thereby increasing membrane resistance to water flow. A mathematical formulation of such a membrane structure is offered. PMID:5945254

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; Govind, Niranjan; Yang, Chao

2017-12-01

We present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.

Plant communities, soil carbon, and soil nitrogen properties in a successional gradient of sub-alpine meadows on the eastern Tibetan plateau of China.

PubMed

Li, Wen-Jin; Li, Jin-Hua; Knops, Johannes M H; Wang, Gang; Jia, Ju-Jie; Qin, Yan-Yan

2009-10-01

To assess the recovery trajectory and self-maintenance of restored ecosystems, a successional gradient (1, 3, 5, 15, and 30 years after abandonment) was established in a sub-alpine meadow of the eastern Tibetan Plateau in China. Plant communities and soil carbon and nitrogen properties were investigated and analyzed. Regression analyses were used to assess the models (linear or quadratic) relating measures of species richness, soil carbon and nitrogen properties to fallow time. We found that species richness (S) increased over the first 20 years but decreased thereafter, and aboveground biomass showed a linear increase along the fallow time gradient. The richness of different functional groups (forb, grass and legume) changed little along the fallow time gradient, but their corresponding above ground biomass showed the U-shaped, humped or linear pattern. Soil microbial carbon (MBC) and nitrogen (MBN) in the upper 20 cm showed a U-shaped pattern along the fallow time gradient. However, soil organic carbon (C(org)) and total nitrogen (TN) in the soil at depth greater than 20 cm showed significant patterns of linear decline along the fallow time gradient. The threshold models of species richness reflected best the recovery over the 15 year fallow period. These results indicated that fallow time had a greater influence on development of the plant community than soil processes in abandoned fields in sub-alpine meadow ecosystem. These results also suggested that although the succession process did not significantly increase soil C, an increase in microbial biomass at the latter stage of succession could promote the decomposability of plant litter. Therefore, abandoned fields in sub-alpine meadow ecosystem may have a high resilience and strong rehabilitating capability under natural recovery condition.

Designing gradient coils with reduced hot spot temperatures.

PubMed

While, Peter T; Forbes, Larry K; Crozier, Stuart

2010-03-01

Gradient coil temperature is an important concern in the design and construction of MRI scanners. Closely spaced gradient coil windings cause temperature hot spots within the system as a result of Ohmic heating associated with large current being driven through resistive material, and can strongly affect the performance of the coils. In this paper, a model is presented for predicting the spatial temperature distribution of a gradient coil, including the location and extent of temperature hot spots. Subsequently, a method is described for designing gradient coils with improved temperature distributions and reduced hot spot temperatures. Maximum temperature represents a non-linear constraint and a relaxed fixed point iteration routine is proposed to adjust coil windings iteratively to minimise this coil feature. Several examples are considered that assume different thermal material properties and cooling mechanisms for the gradient system. Coil winding solutions are obtained for all cases considered that display a considerable drop in hot spot temperature (>20%) when compared to standard minimum power gradient coils with equivalent gradient homogeneity, efficiency and inductance. The method is semi-analytical in nature and can be adapted easily to consider other non-linear constraints in the design of gradient coils or similar systems. Crown Copyright (c) 2009. Published by Elsevier Inc. All rights reserved.

Plasma Irregularities on the Leading and Trailing Edges of Polar Cap Patches

NASA Astrophysics Data System (ADS)

Lamarche, L. J.; Varney, R. H.; Gillies, R.; Chartier, A.; Mitchell, C. N.

2017-12-01

Plasma irregularities in the polar cap have often been attributed to the gradient drift instability (GDI). Traditional fluid theories of GDI predicts irregularity growth only on the trailing edge of polar patches, where the plasma density gradient is parallel to the plasma drift velocity, however many observations show irregularities also form on the leading edge of patches. We consider decameter-scale irregularities detected by polar-latitude SuperDARN (Super Dual Auroral Radar Network) radars with any relationship between the background density gradients and drift velocity. Global electron density from the Multi-Instrument Data Analysis System (MIDAS), a GPS tomography routine, is used to provide context for where irregularities are observed relative to polar patches and finer-scale background density gradients are found from 3D imaging from both the North and Canada faces of the Resolute Bay Incoherent Scatter Radars (RISR-N and RISR-C) jointly. Shear-based instabilities are considered as mechanisms by which plasma irregularities could form on the leading edge of patches. Theoretical predictions of instability growth from both GDI and shear instabilities are compared with irregularity observations for the October 13, 2016 storm.

Complex mountain terrain and disturbance history drive variation in forest aboveground live carbon density in the western Oregon Cascades, USA

PubMed Central

Zald, Harold S.J.; Spies, Thomas A.; Seidl, Rupert; Pabst, Robert J.; Olsen, Keith A.; Steel, E. Ashley

2016-01-01

Forest carbon (C) density varies tremendously across space due to the inherent heterogeneity of forest ecosystems. Variation of forest C density is especially pronounced in mountainous terrain, where environmental gradients are compressed and vary at multiple spatial scales. Additionally, the influence of environmental gradients may vary with forest age and developmental stage, an important consideration as forest landscapes often have a diversity of stand ages from past management and other disturbance agents. Quantifying forest C density and its underlying environmental determinants in mountain terrain has remained challenging because many available data sources lack the spatial grain and ecological resolution needed at both stand and landscape scales. The objective of this study was to determine if environmental factors influencing aboveground live carbon (ALC) density differed between young versus old forests. We integrated aerial light detection and ranging (lidar) data with 702 field plots to map forest ALC density at a grain of 25 m across the H.J. Andrews Experimental Forest, a 6369 ha watershed in the Cascade Mountains of Oregon, USA. We used linear regressions, random forest ensemble learning (RF) and sequential autoregressive modeling (SAR) to reveal how mapped forest ALC density was related to climate, topography, soils, and past disturbance history (timber harvesting and wildfires). ALC increased with stand age in young managed forests, with much greater variation of ALC in relation to years since wildfire in old unmanaged forests. Timber harvesting was the most important driver of ALC across the entire watershed, despite occurring on only 23% of the landscape. More variation in forest ALC density was explained in models of young managed forests than in models of old unmanaged forests. Besides stand age, ALC density in young managed forests was driven by factors influencing site productivity, whereas variation in ALC density in old unmanaged forests was also affected by finer scale topographic conditions associated with sheltered sites. Past wildfires only had a small influence on current ALC density, which may be a result of long times since fire and/or prevalence of non-stand replacing fire. Our results indicate that forest ALC density depends on a suite of multi-scale environmental drivers mediated by complex mountain topography, and that these relationships are dependent on stand age. The high and context-dependent spatial variability of forest ALC density has implications for quantifying forest carbon stores, establishing upper bounds of potential carbon sequestration, and scaling field data to landscape and regional scales. PMID:27041818

Application of Conjugate Gradient methods to tidal simulation

USGS Publications Warehouse

Barragy, E.; Carey, G.F.; Walters, R.A.

1993-01-01

A harmonic decomposition technique is applied to the shallow water equations to yield a complex, nonsymmetric, nonlinear, Helmholtz type problem for the sea surface and an accompanying complex, nonlinear diagonal problem for the velocities. The equation for the sea surface is linearized using successive approximation and then discretized with linear, triangular finite elements. The study focuses on applying iterative methods to solve the resulting complex linear systems. The comparative evaluation includes both standard iterative methods for the real subsystems and complex versions of the well known Bi-Conjugate Gradient and Bi-Conjugate Gradient Squared methods. Several Incomplete LU type preconditioners are discussed, and the effects of node ordering, rejection strategy, domain geometry and Coriolis parameter (affecting asymmetry) are investigated. Implementation details for the complex case are discussed. Performance studies are presented and comparisons made with a frontal solver. ?? 1993.

Density gradient in SiO 2 films on silicon as revealed by positron annihilation spectroscopy

NASA Astrophysics Data System (ADS)

Revesz, A. G.; Anwand, W.; Brauer, G.; Hughes, H. L.; Skorupa, W.

2002-06-01

Positron annihilation spectroscopy of thermally grown and deposited SiO 2 films on silicon shows in a non-destructive manner that these films have a gradient in their density. The gradient is most pronounced for the oxide grown in dry oxygen. Oxidation in water-containing ambient results in an oxide with reduced gradient, similarly to the gradient in the deposited oxide. These observations are in accordance with earlier optical and other studies using stepwise etching or a set of samples of varying thickness. The effective oxygen charge, which is very likely one of the reasons for the difference in the W parameters of silica glass and quartz crystal, could be even higher at some localized configurations in the SiO 2 films resulting in increased positron trapping.

Evaluation of the qualitative and quantitative effectiveness of three media of centrifugation (Maxifreeze, Cushion Fluid Equine, and PureSperm 100) in preparation of fresh or frozen-thawed brown bear spermatozoa.

PubMed

Nicolas, M; Alvarez, M; Borragán, S; Martinez-Pastor, F; Chamorro, C A; Alvarez-Rodriguez, M; de Paz, P; Anel, L

2012-04-01

Centrifugation is a crucial procedure in sperm cryopreservation protocols of brown bear (Ursus arctos), because the semen must be processed to increase sperm concentration and/or clean urine-contaminated samples. The efficacy of three media for centrifugation (Maxifreeze [IMV technologies, L'Aigle, France], Cushion Fluid Equine (Minitübe, Tiefenbach, Germany), and PureSperm [Nidacon, Gothenburg, Sweden]) on the quality of bear spermatozoa was evaluated. In experiment one, two cushioned media used for protecting against mechanical stress during centrifugation were analyzed. In experiment two, a density gradient based on PureSperm was assessed in relation to the maximum retrieval and the quality of fresh spermatozoa, and the freezability of the spermatozoa selected in this density gradient was studied in experiment three. Finally, the selection of frozen-thawed sperm using PureSperm was analyzed in experiment four. Our results indicate that the use of dense isotonic cushion solutions (Maxifreeze, Cushion Fluid Equine) in centrifugation did not improve the quality of recovered spermatozoa compared with standard centrifugation. However, a density gradient prepared with PureSperm improved the quality of spermatozoa in fresh semen and frozen-thawed semen, but the spermatozoa selected from the fresh sample with this density gradient did not show a better resistance to freezing with this density gradient in comparison with the control sample. Copyright © 2012 Elsevier Inc. All rights reserved.

Effects of semen storage and separation techniques on sperm DNA fragmentation.

PubMed

Jackson, Robert E; Bormann, Charles L; Hassun, Pericles A; Rocha, André M; Motta, Eduardo L A; Serafini, Paulo C; Smith, Gary D

2010-12-01

To determine the effect of semen storage and separation techniques on sperm DNA fragmentation. Controlled clinical study. An assisted reproductive technology laboratory. Thirty normoozospermic semen samples obtained from patients undergoing infertility evaluation. One aliquot from each sample was immediately prepared (control) for the sperm chromatin dispersion assay (SCD). Aliquots used to assess storage techniques were treated in the following ways: snap frozen by liquid nitrogen immersion, slow frozen with Tris-yolk buffer and glycerol, kept on ice for 24 hours or maintained at room temperature for 4 and 24 hours. Aliquots used to assess separation techniques were processed by the following methods: washed and centrifuged in media, swim-up from washed sperm pellet, density gradient separation, density gradient followed by swim-up. DNA integrity was then measured by SCD. DNA fragmentation as measured by SCD. There was no significant difference in fragmentation among the snap frozen, slow frozen, and wet-ice groups. Compared to other storage methods short-term storage at room temperature did not impact DNA fragmentation yet 24 hours storage significantly increased fragmentation. Swim-up, density gradient and density gradient/swim-up had significantly reduced DNA fragmentation levels compared with washed semen. Postincubation, density gradient/swim-up showed the lowest fragmentation levels. The effect of sperm processing methods on DNA fragmentation should be considered when selecting storage or separation techniques for clinical use. Copyright © 2010 American Society for Reproductive Medicine. Published by Elsevier Inc. All rights reserved.

Motion Driven by Strain Gradient Fields

PubMed Central

Wang, Chao; Chen, Shaohua

2015-01-01

A new driving mechanism for direction-controlled motion of nano-scale objects is proposed, based on a model of stretching a graphene strip linked to a rigid base with linear springs of identical stiffness. We find that the potential energy difference induced by the strain gradient field in the graphene strip substrate can generate sufficient force to overcome the static and kinetic friction forces between the nano-flake and the strip substrate, resulting in the nanoscale flake motion in the direction of gradient reduction. The dynamics of the nano-flake can be manipulated by tuning the stiffness of linear springs, stretching velocity and the flake size. This fundamental law of directional motion induced by strain gradient could be very useful for promising designs of nanoscale manipulation, transportation and smart surfaces. PMID:26323603

Magnetized stratified rotating shear waves.

PubMed

Salhi, A; Lehner, T; Godeferd, F; Cambon, C

2012-02-01

We present a spectral linear analysis in terms of advected Fourier modes to describe the behavior of a fluid submitted to four constraints: shear (with rate S), rotation (with angular velocity Ω), stratification, and magnetic field within the linear spectral theory or the shearing box model in astrophysics. As a consequence of the fact that the base flow must be a solution of the Euler-Boussinesq equations, only radial and/or vertical density gradients can be taken into account. Ertel's theorem no longer is valid to show the conservation of potential vorticity, in the presence of the Lorentz force, but a similar theorem can be applied to a potential magnetic induction: The scalar product of the density gradient by the magnetic field is a Lagrangian invariant for an inviscid and nondiffusive fluid. The linear system with a minimal number of solenoidal components, two for both velocity and magnetic disturbance fields, is eventually expressed as a four-component inhomogeneous linear differential system in which the buoyancy scalar is a combination of solenoidal components (variables) and the (constant) potential magnetic induction. We study the stability of such a system for both an infinite streamwise wavelength (k(1) = 0, axisymmetric disturbances) and a finite one (k(1) ≠ 0, nonaxisymmetric disturbances). In the former case (k(1) = 0), we recover and extend previous results characterizing the magnetorotational instability (MRI) for combined effects of radial and vertical magnetic fields and combined effects of radial and vertical density gradients. We derive an expression for the MRI growth rate in terms of the stratification strength, which indicates that purely radial stratification can inhibit the MRI instability, while purely vertical stratification cannot completely suppress the MRI instability. In the case of nonaxisymmetric disturbances (k(1) ≠ 0), we only consider the effect of vertical stratification, and we use Levinson's theorem to demonstrate the stability of the solution at infinite vertical wavelength (k(3) = 0): There is an oscillatory behavior for τ > 1+|K(2)/k(1)|, where τ = St is a dimensionless time and K(2) is the radial component of the wave vector at τ = 0. The model is suitable to describe instabilities leading to turbulence by the bypass mechanism that can be relevant for the analysis of magnetized stratified Keplerian disks with a purely azimuthal field. For initial isotropic conditions, the time evolution of the spectral density of total energy (kinetic + magnetic + potential) is considered. At k(3) = 0, the vertical motion is purely oscillatory, and the sum of the vertical (kinetic + magnetic) energy plus the potential energy does not evolve with time and remains equal to its initial value. The horizontal motion can induce a rapid transient growth provided K(2)/k(1)>1. This rapid growth is due to the aperiodic velocity vortex mode that behaves like K(h)/k(h) where k(h)(τ)=[k(1)(2) + (K(2) - k(1)τ)(2)](1/2) and K(h) =k(h)(0). After the leading phase (τ > K(2)/k(1)>1), the horizontal magnetic energy and the horizontal kinetic energy exhibit a similar (oscillatory) behavior yielding a high level of total energy. The contribution to energies coming from the modes k(1) = 0 and k(3) = 0 is addressed by investigating the one-dimensional spectra for an initial Gaussian dense spectrum. For a magnetized Keplerian disk with a purely vertical field, it is found that an important contribution to magnetic and kinetic energies comes from the region near k(1) = 0. The limit at k(1) = 0 of the streamwise one-dimensional spectra of energies, or equivalently, the streamwise two-dimensional (2D) energy, is then computed. The comparison of the ratios of these 2D quantities with their three-dimensional counterparts provided by previous direct numerical simulations shows a quantitative agreement.

Evidence of toroidally localized turbulence with applied 3D fields in the DIII-D tokamak

DOE PAGES

Wilcox, R. S.; Shafer, M. W.; Ferraro, N. M.; ...

2016-09-21

New evidence indicates that there is significant 3D variation in density fluctuations near the boundary of weakly 3D tokamak plasmas when resonant magnetic perturbations are applied to suppress transient edge instabilities. The increase in fluctuations is concomitant with an increase in the measured density gradient, suggesting that this toroidally localized gradient increase could be a mechanism for turbulence destabilization in localized flux tubes. Two-fluid magnetohydrodynamic simulations find that, although changes to the magnetic field topology are small, there is a significant 3D variation of the density gradient within the flux surfaces that is extended along field lines. This modeling agreesmore » qualitatively with the measurements. The observed gradient and fluctuation asymmetries are proposed as a mechanism by which global profile gradients in the pedestal could be relaxed due to a local change in the 3D equilibrium. In conclusion, these processes may play an important role in pedestal and scrape-off layer transport in ITER and other future tokamak devices with small applied 3D fields.« less

Method and apparatus for ceramic analysis

DOEpatents

Jankowiak, Ryszard J.; Schilling, Chris; Small, Gerald J.; Tomasik, Piotr

2003-04-01

The present invention relates to a method and apparatus for ceramic analysis, in particular, a method for analyzing density, density gradients and/or microcracks, including an apparatus with optical instrumentation for analysis of density, density gradients and/or microcracks in ceramics. The method provides analyzing density of a ceramic comprising exciting a component on a surface/subsurface of the ceramic by exposing the material to excitation energy. The method may further include the step of obtaining a measurement of an emitted energy from the component. The method may additionally include comparing the measurement of the emitted energy from the component with a predetermined reference measurement so as to obtain a density for said ceramic.

On the calculation of charge transfer transitions with standard density functionals using constrained variational density functional theory.

PubMed

Ziegler, Tom; Krykunov, Mykhaylo

2010-08-21

It is well known that time-dependent density functional theory (TD-DFT) based on standard gradient corrected functionals affords both a quantitative and qualitative incorrect picture of charge transfer transitions between two spatially separated regions. It is shown here that the well known failure can be traced back to the use of linear response theory. Further, it is demonstrated that the inclusion of higher order terms readily affords a qualitatively correct picture even for simple functionals based on the local density approximation. The inclusion of these terms is done within the framework of a newly developed variational approach to excitation energies called constrained variational density functional theory (CV-DFT). To second order [CV(2)-DFT] this theory is identical to adiabatic TD-DFT within the Tamm-Dancoff approximation. With inclusion of fourth order corrections [CV(4)-DFT] it affords a qualitative correct description of charge transfer transitions. It is finally demonstrated that the relaxation of the ground state Kohn-Sham orbitals to first order in response to the change in density on excitation together with CV(4)-DFT affords charge transfer excitations in good agreement with experiment. The new relaxed theory is termed R-CV(4)-DFT. The relaxed scheme represents an effective way in which to introduce double replacements into the description of single electron excitations, something that would otherwise require a frequency dependent kernel.

Model of separation performance of bilinear gradients in scanning format counter-flow gradient electrofocusing techniques.

PubMed

Shameli, Seyed Mostafa; Glawdel, Tomasz; Ren, Carolyn L

2015-03-01

Counter-flow gradient electrofocusing allows the simultaneous concentration and separation of analytes by generating a gradient in the total velocity of each analyte that is the sum of its electrophoretic velocity and the bulk counter-flow velocity. In the scanning format, the bulk counter-flow velocity is varying with time so that a number of analytes with large differences in electrophoretic mobility can be sequentially focused and passed by a single detection point. Studies have shown that nonlinear (such as a bilinear) velocity gradients along the separation channel can improve both peak capacity and separation resolution simultaneously, which cannot be realized by using a single linear gradient. Developing an effective separation system based on the scanning counter-flow nonlinear gradient electrofocusing technique usually requires extensive experimental and numerical efforts, which can be reduced significantly with the help of analytical models for design optimization and guiding experimental studies. Therefore, this study focuses on developing an analytical model to evaluate the separation performance of scanning counter-flow bilinear gradient electrofocusing methods. In particular, this model allows a bilinear gradient and a scanning rate to be optimized for the desired separation performance. The results based on this model indicate that any bilinear gradient provides a higher separation resolution (up to 100%) compared to the linear case. This model is validated by numerical studies. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Double-hybrid density-functional theory with meta-generalized-gradient approximations

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

Souvi, Sidi M. O., E-mail: sidi.souvi@irsn.fr; Sharkas, Kamal; Toulouse, Julien, E-mail: julien.toulouse@upmc.fr

2014-02-28

We extend the previously proposed one-parameter double-hybrid density-functional theory [K. Sharkas, J. Toulouse, and A. Savin, J. Chem. Phys. 134, 064113 (2011)] to meta-generalized-gradient-approximation (meta-GGA) exchange-correlation density functionals. We construct several variants of one-parameter double-hybrid approximations using the Tao-Perdew-Staroverov-Scuseria (TPSS) meta-GGA functional and test them on test sets of atomization energies and reaction barrier heights. The most accurate variant uses the uniform coordinate scaling of the density and of the kinetic energy density in the correlation functional, and improves over both standard Kohn-Sham TPSS and second-order Møller-Plesset calculations.

Density and fluence dependence of lithium cell damage and recovery characteristics

NASA Technical Reports Server (NTRS)

Faith, T. J.

1971-01-01

Experimental results on lithium-containing solar cells point toward the lithium donor density gradient dN sub L/dw as being the crucial parameter in the prediction of cell behavior after irradiation by electrons. Recovery measurements on a large number of oxygen-rich and oxygen-lean lithium cells have confirmed that cell recovery speed is directly proportional to the value of the lithium gradient for electron fluences. Gradient measurements have also been correlated with lithium diffusion schedules. Results have shown that long diffusion times (25 h) with a paint-on source result in large cell-to-cell variations in gradient, probably due to a loss of the lithium source with time.

Stochastic approach for an unbiased estimation of the probability of a successful separation in conventional chromatography and sequential elution liquid chromatography.

PubMed

Ennis, Erin J; Foley, Joe P

2016-07-15

A stochastic approach was utilized to estimate the probability of a successful isocratic or gradient separation in conventional chromatography for numbers of sample components, peak capacities, and saturation factors ranging from 2 to 30, 20-300, and 0.017-1, respectively. The stochastic probabilities were obtained under conditions of (i) constant peak width ("gradient" conditions) and (ii) peak width increasing linearly with time ("isocratic/constant N" conditions). The isocratic and gradient probabilities obtained stochastically were compared with the probabilities predicted by Martin et al. [Anal. Chem., 58 (1986) 2200-2207] and Davis and Stoll [J. Chromatogr. A, (2014) 128-142]; for a given number of components and peak capacity the same trend is always observed: probability obtained with the isocratic stochastic approach

The effect of a longitudinal density gradient on electron plasma wake field acceleration

NASA Astrophysics Data System (ADS)

Tsiklauri, David

2016-12-01

Three-dimensional, particle-in-cell, fully electromagnetic simulations of electron plasma wake field acceleration in the blow-out regime are presented. Earlier results are extended by (i) studying the effect of a longitudinal density gradient, (ii) avoiding the use of a co-moving simulation box, (iii) inclusion of ion motion, and (iv) studying fully electromagnetic plasma wake fields. It is established that injecting driving and trailing electron bunches into a positive density gradient of 10-fold increasing density over 10 cm long lithium vapour plasma results in spatially more compact and three times larger, compared with the uniform density case, electric fields (-6.4×1010 V m-1), leading to acceleration of the trailing bunch up to 24.4 GeV (starting from an initial 20.4 GeV), with energy transfer efficiencies from the leading to trailing bunch of 75%. In the uniform density case, a -2.5×1010 V m-1 wake is created leading to acceleration of the trailing bunch up to 22.4 GeV, with energy transfer efficiencies of 65%. It is also established that injecting the electron bunches into a negative density gradient of 10-fold decreasing density over 10 cm long plasma results in spatially more spread and two and a half smaller electric fields (-1.0×1010 V m-1), leading to a weaker acceleration of the trailing bunch up to 21.4 GeV, with energy transfer efficiencies of 45%. Taking ion motions into consideration shows that in the plasma wake ion number density can increase over a few times the background value. It is also shown that transverse electromagnetic fields in a plasma wake are of the same order as the longitudinal (electrostatic) ones.

Coherent resonance stop bands in alternating gradient beam transport

NASA Astrophysics Data System (ADS)

Ito, K.; Okamoto, H.; Tokashiki, Y.; Fukushima, K.

2017-06-01

An extensive experimental study is performed to confirm fundamental resonance bands of an intense hadron beam propagating through an alternating gradient linear transport channel. The present work focuses on the most common lattice geometry called "FODO" or "doublet" that consists of two quadrupoles of opposite polarities. The tabletop ion-trap system "S-POD" (Simulator of Particle Orbit Dynamics) developed at Hiroshima University is employed to clarify the parameter-dependence of coherent beam instability. S-POD can provide a non-neutral plasma physically equivalent to a charged-particle beam in a periodic focusing potential. In contrast with conventional experimental approaches relying on large-scale machines, it is straightforward in S-POD to control the doublet geometry characterized by the quadrupole filling factor and drift-space ratio. We verify that the resonance feature does not essentially change depending on these geometric factors. A few clear stop bands of low-order resonances always appear in the same pattern as previously found with the sinusoidal focusing model. All stop bands become widened and shift to the higher-tune side as the beam density is increased. In the space-charge-dominated regime, the most dangerous stop band is located at the bare betatron phase advance slightly above 90 degrees. Experimental data from S-POD suggest that this severe resonance is driven mainly by the linear self-field potential rather than by nonlinear external imperfections and, therefore, unavoidable at high beam density. The instability of the third-order coherent mode generates relatively weak but noticeable stop bands near the phase advances of 60 and 120 degrees. The latter sextupole stop band is considerably enhanced by lattice imperfections. In a strongly asymmetric focusing channel, extra attention may have to be paid to some coupling resonance lines induced by the Coulomb potential. Our interpretations of experimental data are supported by theoretical predictions and systematic multiparticle simulations.

Thermopower analysis of the electronic structure around the metal-insulator transition in V1-xWxO2

NASA Astrophysics Data System (ADS)

Katase, Takayoshi; Endo, Kenji; Ohta, Hiromichi

2014-10-01

The electronic structure across the metal-insulator (MI) transition of electron-doped V1-xWxO2 epitaxial films (x =0-0.06) grown on α-Al2O3 substrates was studied by means of thermopower (S) measurements. Significant increase of |S | values accompanied by MI transition was observed, and the transition temperatures of S (TS) decreased with x in a good linear relation with MI transition temperatures. |S| values of V1-xWxO2 films at T>TS were constant at low values of 23μVK-1 independently of x, which reflects a metallic electronic structure, whereas those at T

Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

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

Speck, Thomas; Menzel, Andreas M.; Bialké, Julian

2015-06-14

Recently, we have derived an effective Cahn-Hilliard equation for the phase separation dynamics of active Brownian particles by performing a weakly non-linear analysis of the effective hydrodynamic equations for density and polarization [Speck et al., Phys. Rev. Lett. 112, 218304 (2014)]. Here, we develop and explore this strategy in more detail and show explicitly how to get to such a large-scale, mean-field description starting from the microscopic dynamics. The effective free energy emerging from this approach has the form of a conventional Ginzburg-Landau function. On the coarsest scale, our results thus agree with the mapping of active phase separation ontomore » that of passive fluids with attractive interactions through a global effective free energy (motility-induced phase transition). Particular attention is paid to the square-gradient term necessary for the phase separation kinetics. We finally discuss results from numerical simulations corroborating the analytical results.« less

Langmuir wave turbulence transition in a model of stimulated Raman scatter

NASA Astrophysics Data System (ADS)

Rose, Harvey A.

2000-06-01

In a one-dimensional stationary slab model, it is found that once the stimulated Raman scatter (SRS) homogeneous growth rate, γ0, exceeds a threshold value, γT, there exists a local, finite amplitude instability, which leads to Langmuir wave turbulence (LWT). Given energetic enough initial conditions, this allows forward SRS, a linearly convective instability, to be nonlinearly self-sustaining for γ0>γT. Levels of forward scatter, much larger than predicted by the linear amplification of thermal fluctuations, are then accessible. The Stochastic quasilinear Markovian (SQM) model of SRS interacting with LWT predicts a jump in the value of <ɛ>, the mean energy injection rate from the laser to the plasma, across this threshold, while one-dimensional plasma slab simulations reveal large fluctuations in ɛ, and a smooth variation of <ɛ> with γ0. Away from γT, <ɛ> is well predicted by the SQM. If a background density ramp is imposed, LWT may lead to loss of SRS gradient stabilization for γ0≪γT.

Visualisation and orbital-free parametrisation of the large-Z scaling of the kinetic energy density of atoms

NASA Astrophysics Data System (ADS)

Cancio, Antonio C.; Redd, Jeremy J.

2017-03-01

The scaling of neutral atoms to large Z, combining periodicity with a gradual trend to homogeneity, is a fundamental probe of density functional theory, one that has driven recent advances in understanding both the kinetic and exchange-correlation energies. Although research focus is normally upon the scaling of integrated energies, insights can also be gained from energy densities. We visualise the scaling of the positive-definite kinetic energy density (KED) in closed-shell atoms, in comparison to invariant quantities based upon the gradient and Laplacian of the density. We notice a striking fit of the KED within the core of any atom to a gradient expansion using both the gradient and the Laplacian, appearing as an asymptotic limit around which the KED oscillates. The gradient expansion is qualitatively different from that derived from first principles for a slowly varying electron gas and is correlated with a nonzero Pauli contribution to the KED near the nucleus. We propose and explore orbital-free meta-GGA models for the kinetic energy to describe these features, with some success, but the effects of quantum oscillations in the inner shells of atoms make a complete parametrisation difficult. We discuss implications for improved orbital-free description of molecular properties.

Study of adhesion and friction properties on a nanoparticle gradient surface: transition from JKR to DMT contact mechanics.

PubMed

Ramakrishna, Shivaprakash N; Nalam, Prathima C; Clasohm, Lucy Y; Spencer, Nicholas D

2013-01-08

We have previously investigated the dependence of adhesion on nanometer-scale surface roughness by employing a roughness gradient. In this study, we correlate the obtained adhesion forces on nanometer-scale rough surfaces to their frictional properties. A roughness gradient with varying silica particle (diameter ≈ 12 nm) density was prepared, and adhesion and frictional forces were measured across the gradient surface in perfluorodecalin by means of atomic force microscopy with a polyethylene colloidal probe. Similarly to the pull-off measurements, the frictional forces initially showed a reduction with decreasing particle density and later an abrupt increase as the colloidal sphere began to touch the flat substrate beneath, at very low particle densities. The friction-load relation is found to depend on the real contact area (A(real)) between the colloid probe and the underlying particles. At high particle density, the colloidal sphere undergoes large deformations over several nanoparticles, and the contact adhesion (JKR type) dominates the frictional response. However, at low particle density (before the colloidal probe is in contact with the underlying surface), the colloidal sphere is suspended by a few particles only, resulting in local deformations of the colloid sphere, with the frictional response to the applied load being dominated by long-range, noncontact (DMT-type) interactions with the substrate beneath.

Material and Optical Densities

ERIC Educational Resources Information Center

Gluck, Paul

2007-01-01

The bending of a laser beam in a medium with a density and refractive index gradient in the same direction has been described previously. When a transparent container is half filled with a salt or sugar solution and an equal amount of water is floated on top of it, then diffusion will create a concentration gradient from top to bottom. A laser…

Particle Size Effects on CL-20 Initiation and Detonation

NASA Astrophysics Data System (ADS)

Valancius, Cole; Bainbridge, Joe; Love, Cody; Richardson, Duane

2017-06-01

Particle size or specific surface area effects on explosives has been of interest to the explosives community for both application and modeling of initiation and detonation. Different particles sizes of CL-20 were used in detonator experiments to determine the effects of particle size on initiation, run-up to steady state detonation, and steady state detonation. Historical tests have demonstrated a direct relationship between particle size and initiation. However, historical tests inadvertently employed density gradients, making it difficult to discern the effects of particle size from the effects of density. Density gradients were removed from these tests using a larger diameter, shorter charge column, allowing for similar loading across different particle sizes. Without the density gradient, the effects of particle size on initiation and detonation are easier to determine. The results of which contrast with historical results, showing particle size does not directly affect initiation threshold.

Possible influence of the Kuramoto length in a photo-catalytic water splitting reaction revealed by Poisson-Nernst-Planck equations involving ionization in a weak electrolyte

NASA Astrophysics Data System (ADS)

Suzuki, Yohichi; Seki, Kazuhiko

2018-03-01

We studied ion concentration profiles and the charge density gradient caused by electrode reactions in weak electrolytes by using the Poisson-Nernst-Planck equations without assuming charge neutrality. In weak electrolytes, only a small fraction of molecules is ionized in bulk. Ion concentration profiles depend on not only ion transport but also the ionization of molecules. We considered the ionization of molecules and ion association in weak electrolytes and obtained analytical expressions for ion densities, electrostatic potential profiles, and ion currents. We found the case that the total ion density gradient was given by the Kuramoto length which characterized the distance over which an ion diffuses before association. The charge density gradient is characterized by the Debye length for 1:1 weak electrolytes. We discuss the role of these length scales for efficient water splitting reactions using photo-electrocatalytic electrodes.

Linearly chirped fiber Bragg grating response to thermal gradient: from bench tests to the real-time assessment during in vivo laser ablations of biological tissue.

PubMed

Saccomandi, Paola; Varalda, Ambra; Gassino, Riccardo; Tosi, Daniele; Massaroni, Carlo; Caponero, Michele A; Pop, Raoul; Korganbayev, Sanzhar; Perrone, Guido; Diana, Michele; Vallan, Alberto; Costamagna, Guido; Marescaux, Jacques; Schena, Emiliano

2017-09-01

The response of a fiber optic sensor [linearly chirped fiber Bragg grating (LCFBG)] to a linear thermal gradient applied on its sensing length (i.e., 1.5 cm) has been investigated. After these bench tests, we assessed their feasibility for temperature monitoring during thermal tumor treatment. In particular, we performed experiments during ex vivo laser ablation (LA) in pig liver and in vivo thermal ablation in animal models (pigs). We investigated the following: (i) the relationship between the full width at half maximum of the LCFBG spectrum and the temperature difference among the extremities of the LCFBG and (ii) the relationship between the mean spectrum wavelength and the mean temperature acting on the LCFBG sensing area. These relationships showed a linear trend during both bench tests and LA in animal models. Thermal sensitivity was significant although different values were found with regards to bench tests and animal experiments. The linear trend and significant sensitivity allow hypothesizing a future use of this kind of sensor to monitor both temperature gradient and mean temperature within a tissue undergoing thermal treatment. (2017) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE).

Influence of smooth temperature variation on hotspot ignition

NASA Astrophysics Data System (ADS)

Reinbacher, Fynn; Regele, Jonathan David

2018-01-01

Autoignition in thermally stratified reactive mixtures originates in localised hotspots. The ignition behaviour is often characterised using linear temperature gradients and more recently constant temperature plateaus combined with temperature gradients. Acoustic timescale characterisation of plateau regions has been successfully used to characterise the type of mechanical disturbance that will be created from a plateau core ignition. This work combines linear temperature gradients with superelliptic cores in order to more accurately account for a local temperature maximum of finite size and the smooth temperature variation contained inside realistic hotspot centres. A one-step Arrhenius reaction is used to model a H2-air reactive mixture. Using the superelliptic approach a range of behaviours for temperature distributions are investigated by varying the temperature profile between the gradient only and plateau and gradient bounding cases. Each superelliptic case is compared to a respective plateau and gradient case where simple acoustic timescale characterisation may be performed. It is shown that hot spots equivalent with excitation-to-acoustic timescale ratios sufficiently greater than unity exhibit behaviour very similar to a simple plateau-gradient model. However, for larger hot spots with timescale ratios sufficiently less than unity the reaction behaviour is highly dependent on the smooth temperature profile contained within the core region.

Fields and Plasma Structures Around ``Shining'' Black Holes: Solitary Rings and Tri-dimensional Topologies

NASA Astrophysics Data System (ADS)

Coppi, B.

2012-03-01

Field and plasma configurations that can be the distinguishing feature of and surround ``shining'' black holes have been identified. Considering the observation of the Quasi Periodic Oscillations that can be associated with inhomogeneous rotating plasmas, tri-dimensional rotating configurations have been looked for and found under special conditions. One is that these configurations are radially localized, such as narrow plasma ring pairs. Another is that the rotation frequency is nearly constant over the rings. Only axisymmetric local configurations consisting of solitary plasma rings or periodic sequences of rings are found when the gradient of the rotation frequency is (locally) significant. Assuming that the plasma pressure is scalar the problem is reduced to the solution of two coupled non-linear differential equations. One, the ``Master Equation'' [1], relates the magnetic surface function to the plasma rotation frequency that is connected to the gravity field. The other, the Vertical Equilibrium Equation, relates the plasma pressure gradient to both the Lorentz force and to the plasma density profile through the gravitational force.[4pt] [1] B. Coppi, Phys. Plasmas 18, 032901 (2011).

Intracellular Virus-Specific Structures and RNAs in Oncornavirus-Producing Human Cells

PubMed Central

Bukrinskaya, A. G.; Miller, G. G.; Lebedeva, E. N.; Zhdanov, V. M.

1974-01-01

Two kinds of virus-specific structures were isolated from the cytoplasm of Detroit-6 and human amnion cells producing oncornavirus-like particles. These structures represented A particles with the diameter of 70 to 80 nm and aggregated strands of nucleocapsids with the diameter of 3 and 6 nm. The structures were separated from cellular contaminants by isopycnic banding in linear sucrose gradients and subsequently further purified by sedimentation in velocity sucrose gradients. Their sedimentation coefficient was 250 and 150S, respectively. Both structures contain 60, 45, and 35S RNA species, and 150S structures also contained 20S RNA. The 35 and 20S RNA from the 150S structure formed hybrids with DNA enzymatically synthesized on extracellular virions. The structures displayed endogeneous polymerase activity, DNA product of the reaction being predominantly associated with 60S RNA. No 70S RNA was found in the cell structures of various densities. Also, the virions purified from tissue culture fluid contained 70S RNA. These findings are consistent with those on extracellular maturation of oncornavirus RNA. Images PMID:4810779

Surface-attached orthogonal gradient hydrogels

NASA Astrophysics Data System (ADS)

Chinnayan Kannan, Pandiyarajan; Genzer, Jan

Gradient materials play a significant role in the creation of artificial implants due to their potential to reduce stress concentration when two or more structures with different mechanical properties are joined together, e . g . , tendon, a fibrous protein that connects the soft and hard muscle tissues in our body. We employ free radical polymerization to synthesize random copolymers containing 90% of N-isopropyl acrylamide (NIPAAm), 5% photo-active methacrylyloxybenzophenone (MABP) and 5% thermally-active styrenesulfonylazide (SSAz) crosslinkers. The presence of MABP and SSAz facilitates adjusting gel density on a flat support in two orthogonal directions by spatially and independently controlling UV dosage and temperature. The swelling behavior (α) of the gels in water and methanol is examined using a spectroscopic ellipsometry and the degree of swelling depends on the extent of crosslinking that ranges from α = 1-1.2 (highly crosslinked gels) to α = 4-5 (loosely crosslinked gels). We compare the network properties surface-attached gels and un-attached identical counterparts and confirm that the linear swelling ratio of surface-attached networks is higher than that of the corresponding un-attached gels.

Investigation of Photographic Image Quality Estimators

DTIC Science & Technology

1980-04-01

WORDS (Conltnu* wi r« y «f •• »iä* ll n«c»*aarr «M läm’lly by ftloc* nuwWo Resolving Power Acutance SENTINEL SIGMA Math Model Modulation Transfer...Bibeman (1973) describes acutance as being "expressed in terms of the mean square of the gradient of . . . density (in a photographic image) with...the density difference AD. for each interval from the (smoothed) microdensitometer trace (calibrated in density units). 4. Compute the gradient -77

Relation of Environmental characteristics to the composition of aquatic assemblages along a gradient of urban land use in New Jersey, 1996-98

USGS Publications Warehouse

Kennen, Jonathan G.; Ayers, Mark A.

2002-01-01

Community data from 36 watersheds were used to evaluate the response of fish, invertebrate, and algal assemblages in New Jersey streams to environmental characteristics along a gradient of urban land use that ranged from 3 to 96 percent. Aquatic assemblages were sampled at 36 sites during 1996-98, and more than 400 environmental attributes at multiple spatial scales were summarized. Data matrices were reduced to 43, 170, and 103 species of fish, invertebrates, and algae, respectively, by means of a predetermined joint frequency and relative abundance approach. White sucker (Catostomus commersoni) and Tessellated darter (Etheostoma olmstedi) were the most abundant fishes, accounting for more than 20 and 17 percent, respectively, of the mean abundance. Net-spinning caddisflies (Hydropsychidae) were the most commonly occurring benthic invertebrates and were found at all but one of the 36 sampling sites. Blue-green (for example, Calothrix sp. and Oscillatoria sp.) and green (for example, Protoderma viride) algae were the most widely distrib-uted algae; however, more than 81 percent of the algal taxa collected were diatoms. Principal-component and correlation analyses were used to reduce the dimensionality of the environmental data. Multiple linear regression analysis of extracted ordination axes then was used to develop models that expressed effects of increasing urban land use on the structure of aquatic assemblages. Significant environmental variables identified by using multiple linear regression analysis then were included in a direct gradient analysis. Partial canonical correspondence analysis of relativized abundance data was used to restrict further the effects of residual natural variability, and to identify relations among the environmental variables and the structure of fish, invertebrate, and algal assemblages along an urban land-use gradient. Results of this approach, combined with the results of the multiple linear regression analyses, were used to identify human population density (311-37,594 persons/km2), amount and type of impervious surface cover (0.12-1,350 km2), nutrient concentrations (for example, 0.01-0.29 mg/L of phosphorus), hydrologic instability (for example, 100-8,955 ft3/s for 2-year peak flow), the amount of forest and wetlands in a basin (0.01-6.25 km2), and substrate quality (0-87 percent cobble substrate) as variables that are highly correlated with aquatic-assemblage structure. Species distributions in ordination space clearly indicate that tolerant species are more abundant in the streams impaired by urbanization and sensitive taxa are more closely associated with the least impaired basins. The distinct differences in aquatic assemblages along the urban land-use gradient demonstrate the deleterious effects of urbanization on assemblage structure and indicate that conserving landscape attributes that mitigate anthropogenic influences (for example, stormwater-management practices emphasizing infiltration and preservation of existing forests, wetlands, and riparian corridors) will help to maintain the relative abundance of sensitive taxa. Complementary multiple linear regression models indicate that aquatic community indices were correlated with many of the anthropogenic factors that were found to be significant along the urban land-use gradient. These indices appear to be effective in differentiating the moderately and severely impaired streams from the minimally impaired streams. Evaluation of disturbance thresholds for aquatic assemblages indicates that moderate to severe impairment is detectable in New Jersey streams when impervious surface cover in the drainage basin reaches approximately 18 percent.

Thermal and epithermal neutron fluence rate gradient measurements by PADC detectors in LINAC radiotherapy treatments-field

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

Barrera, M. T., E-mail: mariate9590@gmail.com; Barros, H.; Pino, F.

2015-07-23

LINAC VARIAN 2100 is where energetic electrons produce Bremsstrahlung radiation, with energies above the nucleon binding energy (E≈5.5MeV). This radiation induce (γ,n) and (e,e’n) reactions mainly in the natural tungsten target material (its total photoneutron cross section is about 4000 mb in a energy range from 9-17 MeV). These reactions may occur also in other components of the system (e.g. multi leaf collimator). During radiation treatment the human body may receive an additional dose inside and outside the treated volume produced by the mentioned nuclear reactions. We measured the neutron density at the treatment table using nuclear track detectors (PADC-NTD). Thesemore » covered by a boron-converter are employed, including a cadmium filter, to determine the ratio between two groups of neutron energy, i.e. thermal and epithermal. The PADC-NTD detectors were exposed to the radiation field at the iso-center during regular operation of the accelerator. Neutron are determined indirectly by the converting reaction {sup 10}B(n,α){sup 7}Li the emerging charged particle leave their kinetic energy in the PADC forming a latent nuclear track, enlarged by chemical etching (6N, NaOH, 70°C). Track density provides information on the neutron density through calibration coefficient (∼1.6 10{sup 4} neutrons /track) obtained by a californium source. We report the estimation of the thermal and epithermal neutron field and its gradient for photoneutrons produced in radiotherapy treatments with 18 MV linear accelerators. It was obsered that photoneutron production have higher rate at the iso-center.« less

Revisiting the Stability of Spatially Heterogeneous Predator-Prey Systems Under Eutrophication.

PubMed

Farkas, J Z; Morozov, A Yu; Arashkevich, E G; Nikishina, A

2015-10-01

We employ partial integro-differential equations to model trophic interaction in a spatially extended heterogeneous environment. Compared to classical reaction-diffusion models, this framework allows us to more realistically describe the situation where movement of individuals occurs on a faster time scale than on the demographic (population) time scale, and we cannot determine population growth based on local density. However, most of the results reported so far for such systems have only been verified numerically and for a particular choice of model functions, which obviously casts doubts about these findings. In this paper, we analyse a class of integro-differential predator-prey models with a highly mobile predator in a heterogeneous environment, and we reveal the main factors stabilizing such systems. In particular, we explore an ecologically relevant case of interactions in a highly eutrophic environment, where the prey carrying capacity can be formally set to 'infinity'. We investigate two main scenarios: (1) the spatial gradient of the growth rate is due to abiotic factors only, and (2) the local growth rate depends on the global density distribution across the environment (e.g. due to non-local self-shading). For an arbitrary spatial gradient of the prey growth rate, we analytically investigate the possibility of the predator-prey equilibrium in such systems and we explore the conditions of stability of this equilibrium. In particular, we demonstrate that for a Holling type I (linear) functional response, the predator can stabilize the system at low prey density even for an 'unlimited' carrying capacity. We conclude that the interplay between spatial heterogeneity in the prey growth and fast displacement of the predator across the habitat works as an efficient stabilizing mechanism. These results highlight the generality of the stabilization mechanisms we find in spatially structured predator-prey ecological systems in a heterogeneous environment.

Selective production of sealed plasma membrane vesicles from red beet (Beta vulgaris L.) storage tissue.

PubMed

Giannini, J L; Gildensoph, L H; Briskin, D P

1987-05-01

Modification of our previous procedure for the isolation of microsomal membrane vesicles from red beet (Beta vulgaris L.) storage tissue allowed the recovery of sealed membrane vesicles displaying proton transport activity sensitive to both nitrate and orthovanadate. In the absence of a high salt concentration in the homogenization medium, contributions of nitrate-sensitive (tonoplast) and vanadate-sensitive (plasma membrane) proton transport were roughly equal. The addition of 0.25 M KCl to the homogenization medium increased the relative amount of nitrate-inhibited proton transport activity while the addition of 0.25 M KI resulted in proton pumping vesicles displaying inhibition by vanadate but stimulation by nitrate. These effects appeared to result from selective sealing of either plasma membrane or tonoplast membrane vesicles during homogenization in the presence of the two salts. Following centrifugation on linear sucrose gradients it was shown that the nitrate-sensitive, proton-transporting vesicles banded at low density and comigrated with nitrate-sensitive ATPase activity while the vanadate-sensitive, proton-transporting vesicles banded at a much higher density and comigrated with vanadate-sensitive ATPase. The properties of the vanadate-sensitive proton pumping vesicles were further characterized in microsomal membrane fractions produced by homogenization in the presence of 0.25 M KI and centrifugation on discontinuous sucrose density gradients. Proton transport was substrate specific for ATP, displayed a sharp pH optimum at 6.5, and was insensitive to azide but inhibited by N'-N-dicyclohexylcarbodiimide, diethylstilbestrol, and fluoride. The Km of proton transport for Mg:ATP was 0.67 mM and the K0.5 for vanadate inhibition was at about 50 microM. These properties are identical to those displayed by the plasma membrane ATPase and confirm a plasma membrane origin for the vesicles.

Validation of gyrokinetic simulations with measurements of electron temperature fluctuations and density-temperature phase angles on ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Freethy, S. J.; Görler, T.; Creely, A. J.; Conway, G. D.; Denk, S. S.; Happel, T.; Koenen, C.; Hennequin, P.; White, A. E.; ASDEX Upgrade Team

2018-05-01

Measurements of turbulent electron temperature fluctuation amplitudes, δTe ⊥/Te , frequency spectra, and radial correlation lengths, Lr(Te ⊥) , have been performed at ASDEX Upgrade using a newly upgraded Correlation ECE diagnostic in the range of scales k⊥<1.4 cm-1, kr<3.5 cm-1 ( k⊥ρs<0.28 and krρs<0.7 ). The phase angle between turbulent temperature and density fluctuations, αnT, has also been measured by using an ECE radiometer coupled to a reflectometer along the same line of sight. These quantities are used simultaneously to constrain a set of ion-scale non-linear gyrokinetic turbulence simulations of the outer core (ρtor = 0.75) of a low density, electron heated L-mode plasma, performed using the gyrokinetic simulation code, GENE. The ion and electron temperature gradients were scanned within uncertainties. It is found that gyrokinetic simulations are able to match simultaneously the electron and ion heat flux at this radius within the experimental uncertainties. The simulations were performed based on a reference discharge for which δTe ⊥/Te measurements were available, and Lr(Te ⊥) and αnT were then predicted using synthetic diagnostics prior to measurements in a repeat discharge. While temperature fluctuation amplitudes are overestimated by >50% for all simulations within the sensitivity scans performed, good quantitative agreement is found for Lr(Te ⊥) and αnT. A validation metric is used to quantify the level of agreement of individual simulations with experimental measurements, and the best agreement is found close to the experimental gradient values.

Urbanization effects on fishes and habitat quality in a southern Piedmont river basin

USGS Publications Warehouse

Walters, D.M.; Freeman, Mary C.; Leigh, D.S.; Freeman, B.J.; Pringle, C.P.; Brown, Larry R.; Gray, Robert H.; Hughes, Robert H.; Meador, Michael

2005-01-01

We quantified the relationships among urban land cover, fishes, and habitat quality to determine how fish assemblages respond to urbanization and if a habitat index can be used as an indirect measure of urban effects on stream ecosystems. We sampled 30 wadeable streams along an urban gradient (5?37% urban land cover) in the Etowah River basin, Georgia. Fish assemblages, sampled by electrofishing standardized stream reaches, were assessed using species richness, density, and species composition metrics. Habitat quality was scored using the Rapid Habitat Assessment Protocol (RHAP) of the U.S. Environmental Protection Agency. Urban land cover (including total, high-, and low-density urban) was estimated for the drainage basin above each reach. A previous study of these sites indicated that stream slope and basin area were strongly related to local variation in assemblage structure. We used multiple linear regression (MLR) analysis to account for this variation and isolate the urban effect on fishes. The MLR models indicated that urbanization lowered species richness and density and led to predictable changes in species composition. Darters and sculpin, cyprinids, and endemics declined along the urban gradient whereas centrarchids persisted and became the dominant group. The RHAP was not a suitable indicator of urban effects because RHAP-urban relationships were confounded by an overriding influence of stream slope on RHAP scores, and urban-related changes in fish assemblage structure preceded gross changes in stream habitat quality. Regression analysis indicated that urban effects on fishes accrue rapidly (<10 years) and are detectable at low levels (~5?10% urbanization). We predict that the decline of endemics and other species will continue and centrarchid-dominated streams will become more common as development proceeds within the Etowah basin.

Simulation of ion-temperature-gradient turbulence in tokamaks

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

Cohen, B I; Dimits, A M; Kim, C

Results are presented from nonlinear gyrokinetic simulations of toroidal ion temperature gradient (ITG) turbulence and transport. The gyrokinetic simulations are found to yield values of the thermal diffusivity significantly lower than gyrofluid or IFS-PPPL-model predictions. A new phenomenon of nonlinear effective critical gradients larger than the linear instability threshold gradients is observed, and is associated with undamped flux-surface-averaged shear flows. The nonlinear gyrokineic codes have passed extensive validity tests which include comparison against independent linear calculations, a series of nonlinear convergence tests, and a comparison between two independent nonlinear gyrokinetic codes. Our most realistic simulations to date have actual reconstructedmore » equilibria from experiments and a model for dilution by impurity and beam ions. These simulations highlight the need for still more physics to be included in the simulations« less

On the derivation of empirical limits on the helium abundance in coronal holes below 1.5 solar radius

NASA Technical Reports Server (NTRS)

Habbal, Shadia Rifai; Esser, Ruth

1994-01-01

We present a simple technique describing how limits on the helium abundance, alpha, defined as the ratio of helium to proton number density, can be inferred from measurements of the electron density and temperature below 1.5 solar radius. As an illustration, we apply this technique to two different data sets: emission-line intensities in the extreme ultraviolet (EUV) and white-light observations, both measured in polar coronal holes. For the EUV data, the temperature gradient is derived from line intensity ratios, and the density gradient is replaced by the gradient of the line intensity. The lower limit on alpha derived from these data is 0.2-0.3 at 1 solar radius and drops very sharply to interplanetary values of a few percent below 1.06 solar radius. The white-light observations yield density gradients in the inner corona beyond 1.25 solar radius but do not have corresponding temperature gradients. In this case we consider an isothermal atmosphere, and derive an upper limit of 0.2 for alpha. These examples are used to illustrate how this technique could be applicable to the more extensive data to be obtained with the upcoming SOHO mission. Although only ranges on alpha can be derived, the application of the technique to data currently available merely points to the fact that alpha can be significantly large in the inner corona.

Purification of Piscirickettsia salmonis and partial characterisation of antigens

USGS Publications Warehouse

Barnes, M.N.; Landolt, M.L.; Powell, D.B.; Winton, J.R.

1998-01-01

Piscirickettsia salmonis is the etiological agent of salmonid rickettsial septicemia, an economically significant disease affecting the salmon aquaculture industry. As with other rickettsial pathogens, antigenic analysis of P. salmonis has been limited by the inherent difficulties of purifying an intracellular organism away from host cell material. In this report, we describe the use of diatrizoate meglumine and diatrizoate sodium (DMDS) density gradient centrifugation to purify P. salmonis grown in chinook salmon embryo (CHSE-214) cells. Plaque assay titers and total protein assays confirmed that viable P. salmonis was consistently concentrated in a visible band within the DMDS density gradient at a density of 1.15 to 1.16 g ml-1. Recovery of purified, viable organisms from DMDS density gradients varied from 0.6 to 3%. Preparations of uninfected CHSE-214 cells, CHSE-214 cells infected with P. salmonis, and gradient-purified P. salmonis were compared using sodium dodecyl sulfate polyacrylamide gel electrophoresis to assess the degree of purification and to identify P. salmonis-specific proteins. Although gradient-purified P. salmonis preparations were not completely free of host cell material, 8 bacterial proteins were identified. Polyclonal rabbit antiserum was used in an immunoblot of proteins from purified P. salmonis to identify 3 major and 5 minor antigens. The major antigens of 56, 30 and 20 kDa were potential candidates for experimental vaccines and development of novel diagnostic assays.

The influence of double-diffusive processes on the melting of ice in the Arctic Ocean: laboratory analogue experiments and their interpretation

NASA Astrophysics Data System (ADS)

Turner, J. S.; Veronis, G.

2004-03-01

This study has been motivated by two oceanographic observations: an increased rate of melting of sea ice in the Arctic Ocean, and the advance of an anomalously warm tongue of Atlantic water across the Arctic below the halocline over the last few decades. A series of laboratory experiments has been carried out in order to explore the physical principles underlying these phenomena, and the possibility that the extra heating at depth is responsible for the enhanced melting rate. A tank was filled with salt solution having various constant vertical density gradients. A block of ice one third of the length of the tank was floated on the surface at one end, and the rest of the surface and the walls of the tank were insulated. When no extra heat was supplied the melting rate (loss of weight of the ice in 1 h) systematically decreased as the stratification was changed from homogeneous fluid to increasingly large density gradients, while keeping the salinity of the solution in contact with the ice constant. An analogue of the intruding Atlantic water was produced by heating the lower portion of the vertical end wall at the end of the tank opposite to the ice end, keeping its temperature constant, and using the same range of salinity gradients as in the unheated experiments. Again the melting rate decreased as the density gradient was increased, but for low gradients it was larger than that in the unheated experiments. Above a certain intermediate gradient there was no significant difference in melting rate between the unheated and heated runs. The melting data were supplemented by photographs and vertical temperature and salinity profiles. The upward transfer of heat from the body of the fluid to melt the ice was clearly double-diffusive: overturning layers, separated by 'diffusive' interfaces, were visible on shadowgraphs, and the thickness of the layers decreased as the density gradient increased. The mean thickness of the layers through the depth of the tank also systematically decreased as the density gradient increased. With weak gradients an extra heat flux to the ice came from the intruding heated layer, but at large gradients this tongue of warm water at depth did not add to the flux near the surface. Though they were obtained in a simple, arbitrary and fixed geometry, we believe that the results of these experiments can be used as the basis for a better physical understanding of the melting rates of ice in the Arctic under various conditions.

An Experiment Using Sucrose Density Gradients in the Undergraduate Biochemistry Laboratory.

ERIC Educational Resources Information Center

Turchi, Sandra L.; Weiss, Monica

1988-01-01

Describes an experiment to be performed in an undergraduate biochemistry laboratory that is based on a gradient centrifugation system employing a simple bench top centrifuge, a freezer, and frozen surcose gradient solution to separate macromolecules and subcellular components. (CW)

Avifaunal responses to fire in southwestern montane forests along a burn severity gradient

USGS Publications Warehouse

Kotliar, N.B.; Kennedy, P.L.; Ferree, K.

2007-01-01

The effects of burn severity on avian communities are poorly understood, yet this information is crucial to fire management programs. To quantify avian response patterns along a burn severity gradient, we sampled 49 random plots (2001-2002) at the 17 351-ha Cerro Grande Fire (2000) in New Mexico, USA. Additionally, pre-fire avian surveys (1986-1988, 1990) created a unique opportunity to quantify avifaunal changes in 13 pre-fire transects (resampled in 2002) and to compare two designs for analyzing the effects of unplanned disturbances: after-only analysis and before-after comparisons. Distance analysis was used to calculate densities. We analyzed after-only densities for 21 species using gradient analysis, which detected a broad range of responses to increasing burn severity: (I) large significant declines, (II) weak, but significant declines, (III) no significant density changes, (IV) peak densities in low- or moderate-severity patches, (V) weak, but significant increases, and (VI) large significant increases. Overall, 71% of the species included in the after-only gradient analysis exhibited either positive or neutral density responses to fire effects across all or portions of the severity gradient (responses III-VI). We used pre/post pairs analysis to quantify density changes for 15 species using before-after comparisons; spatiotemporal variation in densities was large and confounded fire effects for most species. Only four species demonstrated significant effects of burn severity, and their densities were all higher in burned compared to unburned forests. Pre- and post-fire community similarity was high except in high-severity areas. Species richness was similar pre- and post-fire across all burn severities. Thus, ecosystem restoration programs based on the assumption that recent severe fires in Southwestern ponderosa pine forests have overriding negative ecological effects are not supported by our study of post-fire avian communities. This study illustrates the importance of quantifying burn severity and controlling confounding sources of spatiotemporal variation in studies of fire effects. After-only gradient analysis can be an efficient tool for quantifying fire effects. This analysis can also augment historical data sets that have small samples sizes coupled with high non-process variation, which limits the power of before-after comparisons. ?? 2007 by the Ecological Society of America.

Using contemporary liquid chromatography theory and technology to improve capillary gradient ion-exchange separations.

PubMed

Wouters, Bert; Broeckhoven, Ken; Wouters, Sam; Bruggink, Cees; Agroskin, Yury; Pohl, Christopher A; Eeltink, Sebastiaan

2014-11-28

The gradient-performance limits of capillary ion chromatography have been assessed at maximum system pressure (34.5 MPa) using capillary columns packed with 4.1 μm macroporous anion-exchange particles coated with 65 nm positively-charged nanobeads. In analogy to the van-Deemter curve, the gradient performance was assessed applying different flow rates, while decreasing the gradient time inversely proportional to the increase in flow rate in order to maintain the same retention properties. The gradient kinetic-performance limits were determined at maximum system pressure, applying tG/t0=5, 10, and 20. In addition, the effect of retention on peak width was assessed in gradient mode for mono-, di-, and trivalent inorganic anions. The peak width of late-eluting ions can be significantly reduced by using concave gradient, resulting in better detection sensitivity. A signal enhancement factor of 8 was measured for a late-eluting ion when applying a concave instead of a linear gradient. For the analysis of a complex anion mixture, a coupled column with a total length of 1.05 m was operated at the kinetic-performance limit applying a linear 250 min gradient (tG/t0=10). The peak capacity varied between 200 and 380 depending on analyte retention, and hence on charge and size of the ion. Copyright © 2014 Elsevier B.V. All rights reserved.

Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide-and-conquer, density-functional tight-binding, and massively parallel computation.

PubMed

Nishizawa, Hiroaki; Nishimura, Yoshifumi; Kobayashi, Masato; Irle, Stephan; Nakai, Hiromi

2016-08-05

The linear-scaling divide-and-conquer (DC) quantum chemical methodology is applied to the density-functional tight-binding (DFTB) theory to develop a massively parallel program that achieves on-the-fly molecular reaction dynamics simulations of huge systems from scratch. The functions to perform large scale geometry optimization and molecular dynamics with DC-DFTB potential energy surface are implemented to the program called DC-DFTB-K. A novel interpolation-based algorithm is developed for parallelizing the determination of the Fermi level in the DC method. The performance of the DC-DFTB-K program is assessed using a laboratory computer and the K computer. Numerical tests show the high efficiency of the DC-DFTB-K program, a single-point energy gradient calculation of a one-million-atom system is completed within 60 s using 7290 nodes of the K computer. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Understanding band gaps of solids in generalized Kohn-Sham theory.

PubMed

Perdew, John P; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K U; Scheffler, Matthias; Scuseria, Gustavo E; Henderson, Thomas M; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-03-14

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn-Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations.

Ultrafast charge and discharge biscrolled yarn supercapacitors for textiles and microdevices

NASA Astrophysics Data System (ADS)

Lee, Jae Ah; Shin, Min Kyoon; Kim, Shi Hyeong; Cho, Hyun U.; Spinks, Geoffrey M.; Wallace, Gordon G.; Lima, Márcio D.; Lepró, Xavier; Kozlov, Mikhail E.; Baughman, Ray H.; Kim, Seon Jeong

2013-06-01

Flexible, wearable, implantable and easily reconfigurable supercapacitors delivering high energy and power densities are needed for electronic devices. Here we demonstrate weavable, sewable, knottable and braidable yarns that function as high performance electrodes of redox supercapacitors. A novel technology, gradient biscrolling, provides fast-ion-transport yarn in which hundreds of layers of conducting-polymer-infiltrated carbon nanotube sheet are scrolled into ~20 μm diameter yarn. Plying the biscrolled yarn with a metal wire current collector increases power generation capabilities. The volumetric capacitance is high (up to ~179 F cm-3) and the discharge current of the plied yarn supercapacitor linearly increases with voltage scan rate up to ~80 V s-1 and ~20 V s-1 for liquid and solid electrolytes, respectively. The exceptionally high energy and power densities for the complete supercapacitor, and high cycle life that little depends on winding or sewing (92%, 99% after 10,000 cycles, respectively) are important for the applications in electronic textiles.

Structural, electronic, mechanical, and dynamical properties of graphene oxides: A first principles study

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

Dabhi, Shweta D.; Gupta, Sanjay D.; Jha, Prafulla K., E-mail: prafullaj@yahoo.com

We report the results of a theoretical study on the structural, electronic, mechanical, and vibrational properties of some graphene oxide models (GDO, a-GMO, z-GMO, ep-GMO and mix-GMO) at ambient pressure. The calculations are based on the ab-initio plane-wave pseudo potential density functional theory, within the generalized gradient approximations for the exchange and correlation functional. The calculated values of lattice parameters, bulk modulus, and its first order pressure derivative are in good agreement with other reports. A linear response approach to the density functional theory is used to derive the phonon frequencies. We discuss the contribution of the phonons in themore » dynamical stability of graphene oxides and detailed analysis of zone centre phonon modes in all the above mentioned models. Our study demonstrates a wide range of energy gap available in the considered models of graphene oxide and hence the possibility of their use in nanodevices.« less

General criteria for the validity of the Buckingham-Darcy Flow Law

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

Sposito, G.

A detailed, first-principles study is undertaken on the exact equation of linear momentum balance for water in an unsaturated soil. An approximate momentum balance equation (Raats and Klute) demonstrates that the flow of water through a rigid, homogeneous, isotropic, unsaturated soil will obey the Buckingham-Darcy Law within 10/sup -12/ to 10/sup -5/ sec after a gradient in the total potential of soil water has been applied. The Raats-Klute equation will be accurate if (1) the water mass density and mass flux density vector constitute a complete set of strongly coupled, macroscopic dynamical variables, and (2) the time scale over whichmore » these 2 variables change significantly is much longer than that over which any other dynamic quantities vary. If these 2 conditions are met, then, according to statistical mechanics, the flow of water through unsaturated soil will be described accurately over all macroscopic intervals by the Buckingham-Darcy law.« less

Understanding band gaps of solids in generalized Kohn–Sham theory

PubMed Central

Perdew, John P.; Yang, Weitao; Burke, Kieron; Yang, Zenghui; Gross, Eberhard K. U.; Scheffler, Matthias; Scuseria, Gustavo E.; Henderson, Thomas M.; Zhang, Igor Ying; Ruzsinszky, Adrienn; Peng, Haowei; Sun, Jianwei; Trushin, Egor; Görling, Andreas

2017-01-01

The fundamental energy gap of a periodic solid distinguishes insulators from metals and characterizes low-energy single-electron excitations. However, the gap in the band structure of the exact multiplicative Kohn–Sham (KS) potential substantially underestimates the fundamental gap, a major limitation of KS density-functional theory. Here, we give a simple proof of a theorem: In generalized KS theory (GKS), the band gap of an extended system equals the fundamental gap for the approximate functional if the GKS potential operator is continuous and the density change is delocalized when an electron or hole is added. Our theorem explains how GKS band gaps from metageneralized gradient approximations (meta-GGAs) and hybrid functionals can be more realistic than those from GGAs or even from the exact KS potential. The theorem also follows from earlier work. The band edges in the GKS one-electron spectrum are also related to measurable energies. A linear chain of hydrogen molecules, solid aluminum arsenide, and solid argon provide numerical illustrations. PMID:28265085

First-principles calculations on the four phases of BaTiO3.

PubMed

Evarestov, Robert A; Bandura, Andrei V

2012-04-30

The calculations based on linear combination of atomic orbitals basis functions as implemented in CRYSTAL09 computer code have been performed for cubic, tetragonal, orthorhombic, and rhombohedral modifications of BaTiO(3) crystal. Structural and electronic properties as well as phonon frequencies were obtained using local density approximation, generalized gradient approximation, and hybrid exchange-correlation density functional theory (DFT) functionals for four stable phases of BaTiO(3). A comparison was made between the results of different DFT techniques. It is concluded that the hybrid PBE0 [J. P. Perdew, K. Burke, M. Ernzerhof, J. Chem. Phys. 1996, 105, 9982.] functional is able to predict correctly the structural stability and phonon properties both for cubic and ferroelectric phases of BaTiO(3). The comparative phonon symmetry analysis in BaTiO(3) four phases has been made basing on the site symmetry and irreducible representation indexes for the first time. Copyright © 2012 Wiley Periodicals, Inc.

Isolation, separation, and characterization of epithelial and connective cells from rat palate

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

Terranova, Victor Paul

1979-01-01

Epithelial and connective tissue cells were isolated from rat palate by sequential collagenase, hyaluronidase and trypsin digestion of the extracellular matrix. Differences between the two populations were noted with respect to total cell protein, total cell water, proline uptake and incorporation, percent collagen synthesized, effects of parathyroid hormone, metabolism of D-valine and cell density. Basal epithelial cells were subsequently separated from the heterogeneous epithelial cell population on shallow linear density gradients by velocity centrifugation. The type of collagen synthesized by the basal epithelial cells was compared to the type of collagen synthesized by the connective tissue cells by means ofmore » labeled amino acid incorporation ratios. Cells isolated from the epithelial and connective tissue were compared. From these studies it can be concluded that epithelial and connective tissue cells can be isolated from rat palate as viable and distinct populations with respect to the biochemical parameters examined. Furthermore, subpopulations can be separated and biochemically characterized.« less

NMR Microscopy - Micron-Level Resolution.

NASA Astrophysics Data System (ADS)

Kwok, Wing-Chi Edmund

1990-01-01

Nuclear Magnetic Resonance Imaging (MRI) has been developed into a powerful and widely used diagnostic tool since the invention of techniques using linear magnetic field gradients in 1973. The variety of imaging contrasts obtainable in MRI, such as spin density, relaxation times and flow rate, gives MRI a significant advantage over other imaging techniques. For common diagnostic applications, image resolutions have been in the order of millimeters with slice thicknesses in centimeters. For many research applications, however, resolutions in the order of tens of microns or smaller are needed. NMR Imaging in these high resolution disciplines is known as NMR microscopy. Compared with conventional microscopy, NMR microscopy has the advantage of being non-invasive and non-destructive. The major obstacles of NMR microscopy are low signal-to-noise ratio and effects due to spin diffusion. To overcome these difficulties, more sensitive RF probes and very high magnetic field gradients have to be used. The most effective way to increase sensitivity is to build smaller probes. Microscope probes of different designs have been built and evaluated. Magnetic field gradient coils that can produce linear field gradients up to 450 Gauss/cm were also assembled. In addition, since microscope probes often employ remote capacitors for RF tuning, the associated signal loss in the transmission line was studied. Imaging experiments have been carried out in a 2.1 Tesla small bore superconducting magnet using the typical two-dimensional spin warp imaging technique. Images have been acquired for both biological and non-biological samples. The highest resolution was obtained in an image of a nerve bundle from the spinal cord of a racoon and has an in-plane resolution of 4 microns. These experiments have demonstrated the potential application of NMR microscopy to pathological research, nervous system study and non -destructive testings of materials. One way to further improve NMR microscopy is to implement a higher static magnetic field which will increase signal strength. In the future, NMR microscopy should prove to be useful in the studies of cell linings, T1 & T2 relaxation mechanisms and NMR contrast agents.

The effects of density gradients on the convective amplification of upper hybrid waves in the magnetosphere

NASA Technical Reports Server (NTRS)

Engel, J.; Kennel, C.

1985-01-01

Intense (at least 10 mV/m) electrostatic plasma waves have been detected near the upper hybrid frequency between + or -50 deg MLAT during recent GEOS-1 crossings. Wave growth rate and convective amplification calculations were carried out in order to explain the occurrence of intense upper hybrid (IUH) events over such a wide range of latitudes. The effects of wave refractions were taken into account in the convective amplification calculations. Specific results are presented for the upper hybrid wave growth of an IUH event occurring at 10 deg MLAT. It is shown that a density gradient may be necessary to explain the observed amplification at 10 deg MLAT. At the equator, however, the long scale length of the magnetic field gradient enables large amplitudes to be attained without a density gradient. The results of a UH ray tracing analysis are discussed within the framework of current theories concerning magnetospheric continuum radiation.

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

Lukeman, S.; Fanestil, D.

Although the PBS has been identified in many organs, its function and cellular location are speculative. Using rapid filtration, binding of (/sup 3/H)RO 5-4864 (*RO) (.75 nM) was assessed in four subcellular fractions (.3 mg/ml) derived from depapillated rat kidney by differential centrifugation: N (450g x 2 min), O (13,000 x 10), P (105,000 x 30), and S. The binding distribution was: N-18%, O-74%, P-6%, and S-2%. Marker enzyme analysis revealed that O was enriched in mitochondria (M), lysosomes (L), peroxisomes (P), and endoplasmic reticulum (ER), but not plasma membrane, and that N contained small amounts (10-15%) of markers formore » the above. Repeated washing of O removed ER enzymes but preserved *RO binding. O was further fractionated with centrifugation (57,000g x 4 hr) on a linear sucrose gradient (18-65%); *RO binding then comigrated with M but not P and L markers. Centrifugation of isolated M (5500 x 10 min) on another linear sucrose gradient (37-65%) gave low and high density bands, which contained 65% and 35% of *RO binding activity, resp. *RO binding in O was specific, saturable, reversible, and inhibited by diuretics. Inhibitors with the highest potency were indacrinone (K/sub d/ = 35 ..mu..M), hydrochlorothiazide (100 ..mu..M), and ethacrynic acid (325 ..mu..M). Low potency inhibitors (K/sub d/ greater than or equal to 1 mM) included amiloride, triamterene, furosemide, bumetanide, and ozolinone.« less

Kuroshio Graduate Student Support

DTIC Science & Technology

2018-06-06

875 North Randolph Street Arlington, VA 22203-1995 11. SPONSOR/MONITOR’S REPORT NUMBER(S) 12. DISTRIBUTION / AVAILABILITY ...strong horizontal density gradients (e.g., midlatitude subtropical gyres), with a small fraction occurring in regions of deep mixed layers (e.g., high ...Society homogenous in the presence of sharp horizontal density contrasts (e.g., Fig. 1a). These sharp gradients provide a source of available

Separation of Bacteria, Protozoa and Carbon Nanotubes by Density Gradient Centrifugation

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

Mortimer, Monika; Petersen, Elijah; Buchholz, Bruce

Sustainable production and use of carbon nanotube (CNT)-enabled materials require efficient assessment of CNT environmental hazards, including the potential for CNT bioaccumulation and biomagnification in environmental receptors. Microbes, as abundant organisms responsible for nutrient cycling in soil and water, are important ecological receptors for studying the effects of CNTs. Quantification of CNT association with microbial cells requires efficient separation of CNT-associated cells from individually dispersed CNTs and CNT agglomerates. Here in this paper, we designed, optimized, and demonstrated procedures for separating bacteria (Pseudomonas aeruginosa) from unbound multiwall carbon nanotubes (MWCNTs) and MWCNT agglomerates using sucrose density gradient centrifugation. We demonstratemore » separation of protozoa (Tetrahymena thermophila) from MWCNTs, bacterial agglomerates, and protozoan fecal pellets by centrifugation in an iodixanol solution. The presence of MWCNTs in the density gradients after centrifugation was determined by quantification of 14C-labeled MWCNTs; the recovery of microbes from the density gradient media was confirmed by optical microscopy. Protozoan intracellular contents of MWCNTs and of bacteria were also unaffected by the designed separation process. Lastly, the optimized methods contribute to improved efficiency and accuracy in quantifying MWCNT association with bacteria and MWCNT accumulation in protozoan cells, thus supporting improved assessment of CNT bioaccumulation.« less

Separation of Bacteria, Protozoa and Carbon Nanotubes by Density Gradient Centrifugation

DOE PAGES

Mortimer, Monika; Petersen, Elijah; Buchholz, Bruce; ...

2016-10-12

Sustainable production and use of carbon nanotube (CNT)-enabled materials require efficient assessment of CNT environmental hazards, including the potential for CNT bioaccumulation and biomagnification in environmental receptors. Microbes, as abundant organisms responsible for nutrient cycling in soil and water, are important ecological receptors for studying the effects of CNTs. Quantification of CNT association with microbial cells requires efficient separation of CNT-associated cells from individually dispersed CNTs and CNT agglomerates. Here in this paper, we designed, optimized, and demonstrated procedures for separating bacteria (Pseudomonas aeruginosa) from unbound multiwall carbon nanotubes (MWCNTs) and MWCNT agglomerates using sucrose density gradient centrifugation. We demonstratemore » separation of protozoa (Tetrahymena thermophila) from MWCNTs, bacterial agglomerates, and protozoan fecal pellets by centrifugation in an iodixanol solution. The presence of MWCNTs in the density gradients after centrifugation was determined by quantification of 14C-labeled MWCNTs; the recovery of microbes from the density gradient media was confirmed by optical microscopy. Protozoan intracellular contents of MWCNTs and of bacteria were also unaffected by the designed separation process. Lastly, the optimized methods contribute to improved efficiency and accuracy in quantifying MWCNT association with bacteria and MWCNT accumulation in protozoan cells, thus supporting improved assessment of CNT bioaccumulation.« less

Pulsed field gradients in simulations of one- and two-dimensional NMR spectra.

PubMed

Meresi, G H; Cuperlovic, M; Palke, W E; Gerig, J T

1999-03-01

A method for the inclusion of the effects of z-axis pulsed field gradients in computer simulations of an arbitrary pulsed NMR experiment with spin (1/2) nuclei is described. Recognizing that the phase acquired by a coherence following the application of a z-axis pulsed field gradient bears a fixed relation to its order and the spatial position of the spins in the sample tube, the sample is regarded as a collection of volume elements, each phase-encoded by a characteristic, spatially dependent precession frequency. The evolution of the sample's density matrix is thus obtained by computing the evolution of the density matrix for each volume element. Following the last gradient pulse, these density matrices are combined to form a composite density matrix which evolves through the rest of the experiment to yield the observable signal. This approach is implemented in a program which includes capabilities for rigorous inclusion of spin relaxation by dipole-dipole, chemical shift anisotropy, and random field mechanisms, plus the effects of arbitrary RF fields. Mathematical procedures for accelerating these calculations are described. The approach is illustrated by simulations of representative one- and two-dimensional NMR experiments. Copyright 1999 Academic Press.

SDSS-IV MaNGA: environmental dependence of stellar age and metallicity gradients in nearby galaxies

NASA Astrophysics Data System (ADS)

Zheng, Zheng; Wang, Huiyuan; Ge, Junqiang; Mao, Shude; Li, Cheng; Li, Ran; Mo, Houjun; Goddard, Daniel; Bundy, Kevin; Li, Hongyu; Nair, Preethi; Lin, Lihwai; Long, R. J.; Riffel, Rogério; Thomas, Daniel; Masters, Karen; Bizyaev, Dmitry; Brownstein, Joel R.; Zhang, Kai; Law, David R.; Drory, Niv; Roman Lopes, Alexandre; Malanushenko, Olena

2017-03-01

We present a study on the stellar age and metallicity distributions for 1105 galaxies using the STARLIGHT software on MaNGA (Mapping Nearby Galaxies at APO) integral field spectra. We derive age and metallicity gradients by fitting straight lines to the radial profiles, and explore their correlations with total stellar mass M*, NUV - r colour and environments, as identified by both the large-scale structure (LSS) type and the local density. We find that the mean age and metallicity gradients are close to zero but slightly negative, which is consistent with the inside-out formation scenario. Within our sample, we find that both the age and metallicity gradients show weak or no correlation with either the LSS type or local density environment. In addition, we also study the environmental dependence of age and metallicity values at the effective radii. The age and metallicity values are highly correlated with M* and NUV - r and are also dependent on LSS type as well as local density. Low-mass galaxies tend to be younger and have lower metallicity in low-density environments while high-mass galaxies are less affected by environment.

Protamine ratio and the level of histone retention in sperm selected from a density gradient preparation.

PubMed

Hammoud, S; Liu, L; Carrell, D T

2009-04-01

Fertile males express two forms of sperm nuclear proteins, protamine 1 (P1) and protamine 2 (P2), in roughly equal quantities, whereas some infertile men have been shown to have a reduction in protamine content and an increase in the level of histones retained in mature sperm. In this study, we assessed histone and protamine levels in spermatozoa isolated from different layers of a density gradient centrifugation column to evaluate the nuclear protein content of the sperm population selected. Protamine levels were measured using acid gel electrophoresis and immunofluorescence, and the percentage of cells retaining histones was evaluated using aniline staining and immunofluorescence. Our data suggests that there is an inverse correlation between P1/P2 ratio and the level of histone expression in the different layers of the density gradient. Paradoxically, the 90% layer had a lower P1/P2 ratio, which corresponded with an increase in histone expression. It is concluded that although the sperm population selected in the 90% layer of the density gradient columns had a lower P1/P2 ratio, it was yet similar to the P1/P2 ratio observed in previously screened fertile donors.

Separation of Bacteria, Protozoa and Carbon Nanotubes by Density Gradient Centrifugation

PubMed Central

Mortimer, Monika; Petersen, Elijah J.; Buchholz, Bruce A.; Holden, Patricia A.

2016-01-01

Sustainable production and use of carbon nanotube (CNT)-enabled materials require efficient assessment of CNT environmental hazards, including the potential for CNT bioaccumulation and biomagnification in environmental receptors. Microbes, as abundant organisms responsible for nutrient cycling in soil and water, are important ecological receptors for studying the effects of CNTs. Quantification of CNT association with microbial cells requires efficient separation of CNT-associated cells from individually dispersed CNTs and CNT agglomerates. Here, we designed, optimized, and demonstrated procedures for separating bacteria (Pseudomonas aeruginosa) from unbound multiwall carbon nanotubes (MWCNTs) and MWCNT agglomerates using sucrose density gradient centrifugation. We demonstrate separation of protozoa (Tetrahymena thermophila) from MWCNTs, bacterial agglomerates, and protozoan fecal pellets by centrifugation in an iodixanol solution. The presence of MWCNTs in the density gradients after centrifugation was determined by quantification of 14C-labeled MWCNTs; the recovery of microbes from the density gradient media was confirmed by optical microscopy. Protozoan intracellular contents of MWCNTs and of bacteria were also unaffected by the designed separation process. The optimized methods contribute to improved efficiency and accuracy in quantifying MWCNT association with bacteria and MWCNT accumulation in protozoan cells, thus supporting improved assessment of CNT bioaccumulation. PMID:27917301

Diffusion of Conserved Charges in Relativistic Heavy Ion Collisions

NASA Astrophysics Data System (ADS)

Greif, Moritz; Fotakis, Jan. A.; Denicol, Gabriel S.; Greiner, Carsten

2018-06-01

We demonstrate that the diffusion currents do not depend only on gradients of their corresponding charge density, but that the different diffusion charge currents are coupled. This happens in such a way that it is possible for density gradients of a given charge to generate dissipative currents of another charge. Within this scheme, the charge diffusion coefficient is best viewed as a matrix, in which the diagonal terms correspond to the usual charge diffusion coefficients, while the off-diagonal terms describe the coupling between the different currents. In this Letter, we calculate for the first time the complete diffusion matrix for hot and dense nuclear matter, including baryon, electric, and strangeness charges. We find that the baryon diffusion current is strongly affected by baryon charge gradients but also by its coupling to gradients in strangeness. The electric charge diffusion current is found to be strongly affected by electric and strangeness gradients, whereas strangeness currents depend mostly on strange and baryon gradients.

Image-based gradient non-linearity characterization to determine higher-order spherical harmonic coefficients for improved spatial position accuracy in magnetic resonance imaging.

PubMed

Weavers, Paul T; Tao, Shengzhen; Trzasko, Joshua D; Shu, Yunhong; Tryggestad, Erik J; Gunter, Jeffrey L; McGee, Kiaran P; Litwiller, Daniel V; Hwang, Ken-Pin; Bernstein, Matt A

2017-05-01

Spatial position accuracy in magnetic resonance imaging (MRI) is an important concern for a variety of applications, including radiation therapy planning, surgical planning, and longitudinal studies of morphologic changes to study neurodegenerative diseases. Spatial accuracy is strongly influenced by gradient linearity. This work presents a method for characterizing the gradient non-linearity fields on a per-system basis, and using this information to provide improved and higher-order (9th vs. 5th) spherical harmonic coefficients for better spatial accuracy in MRI. A large fiducial phantom containing 5229 water-filled spheres in a grid pattern is scanned with the MR system, and the positions all the fiducials are measured and compared to the corresponding ground truth fiducial positions as reported from a computed tomography (CT) scan of the object. Systematic errors from off-resonance (i.e., B0) effects are minimized with the use of increased receiver bandwidth (±125kHz) and two acquisitions with reversed readout gradient polarity. The spherical harmonic coefficients are estimated using an iterative process, and can be subsequently used to correct for gradient non-linearity. Test-retest stability was assessed with five repeated measurements on a single scanner, and cross-scanner variation on four different, identically-configured 3T wide-bore systems. A decrease in the root-mean-square error (RMSE) over a 50cm diameter spherical volume from 1.80mm to 0.77mm is reported here in the case of replacing the vendor's standard 5th order spherical harmonic coefficients with custom fitted 9th order coefficients, and from 1.5mm to 1mm by extending custom fitted 5th order correction to the 9th order. Minimum RMSE varied between scanners, but was stable with repeated measurements in the same scanner. The results suggest that the proposed methods may be used on a per-system basis to more accurately calibrate MR gradient non-linearity coefficients when compared to vendor standard corrections. Copyright © 2016 Elsevier Inc. All rights reserved.

Characterization of essential oil distribution in the root cross-section of Valeriana officinalis L. s.l. by using histological imaging techniques.

PubMed

Penzkofer, Michael; Baron, Andrea; Naumann, Annette; Krähmer, Andrea; Schulz, Hartwig; Heuberger, Heidi

2018-01-01

The essential oil is an important compound of the root and rhizome of medicinally used valerian ( Valeriana officinalis L. s.l.), with a stated minimum content in the European pharmacopoeia. The essential oil is located in droplets, of which the position and distribution in the total root cross-section of different valerian varieties, root thicknesses and root horizons are determined in this study using an adapted fluorescence-microscopy and automatic imaging analysis method. The study was initiated by the following facts:A probable negative correlation between essential oil content and root thickness in selected single plants (elites), observed during the breeding of coarsely rooted valerian with high oil content.Higher essential oil content after careful hand-harvest and processing of the roots. In preliminary tests, the existence of oil containing droplets in the outer and inner regions of the valerian roots was confirmed by histological techniques and light-microscopy, as well as Fourier-transform infrared spectroscopy. Based on this, fluorescence-microscopy followed by image analysis of entire root cross-sections, showed that a large number of oil droplets (on average 43% of total oil droplets) are located close to the root surface. The remaining oil droplets are located in the inner regions (parenchyma) and showed varying density gradients from the inner to the outer regions depending on genotype, root thickness and harvesting depth. Fluorescence-microscopy is suitable to evaluate prevalence and distribution of essential oil droplets of valerian in entire root cross-sections. The oil droplet density gradient varies among genotypes. Genotypes with a linear rather than an exponential increase of oil droplet density from the inner to the outer parenchyma can be chosen for better stability during post-harvest processing. The negative correlation of essential oil content and root thickness as observed in our breeding material can be counteracted through a selection towards generally high oil droplet density levels, and large oil droplet sizes independent of root thickness.

SPHYNX: an accurate density-based SPH method for astrophysical applications

NASA Astrophysics Data System (ADS)

Cabezón, R. M.; García-Senz, D.; Figueira, J.

2017-10-01

Aims: Hydrodynamical instabilities and shocks are ubiquitous in astrophysical scenarios. Therefore, an accurate numerical simulation of these phenomena is mandatory to correctly model and understand many astrophysical events, such as supernovas, stellar collisions, or planetary formation. In this work, we attempt to address many of the problems that a commonly used technique, smoothed particle hydrodynamics (SPH), has when dealing with subsonic hydrodynamical instabilities or shocks. To that aim we built a new SPH code named SPHYNX, that includes many of the recent advances in the SPH technique and some other new ones, which we present here. Methods: SPHYNX is of Newtonian type and grounded in the Euler-Lagrange formulation of the smoothed-particle hydrodynamics technique. Its distinctive features are: the use of an integral approach to estimating the gradients; the use of a flexible family of interpolators called sinc kernels, which suppress pairing instability; and the incorporation of a new type of volume element which provides a better partition of the unity. Unlike other modern formulations, which consider volume elements linked to pressure, our volume element choice relies on density. SPHYNX is, therefore, a density-based SPH code. Results: A novel computational hydrodynamic code oriented to Astrophysical applications is described, discussed, and validated in the following pages. The ensuing code conserves mass, linear and angular momentum, energy, entropy, and preserves kernel normalization even in strong shocks. In our proposal, the estimation of gradients is enhanced using an integral approach. Additionally, we introduce a new family of volume elements which reduce the so-called tensile instability. Both features help to suppress the damp which often prevents the growth of hydrodynamic instabilities in regular SPH codes. Conclusions: On the whole, SPHYNX has passed the verification tests described below. For identical particle setting and initial conditions the results were similar (or better in some particular cases) than those obtained with other SPH schemes such as GADGET-2, PSPH or with the recent density-independent formulation (DISPH) and conservative reproducing kernel (CRKSPH) techniques.

Electronic structure and properties of lanthanum

NASA Astrophysics Data System (ADS)

Nixon, Lane; Papaconstantopoulos, Dimitrios

2008-03-01

The total energy and electronic structure of lanthanum have been calculated in the bcc, fcc, hcp and dhcp structures for pressures up to 50 GPa. The full potential linearized-augmented-planewave method was used with both the local-density and general-gradient approximations. The correct phase ordering has been found, with lattice parameters and bulk moduli in good agreement with experimental data. The GGA method shows excellent agreement overall while the LDA results show larger discrepancies. The calculated strain energies for the fcc and bcc structures demonstrate the respective stable and unstable configurations at ambient conditions. The calculated superconductivity properties under pressure for the fcc structure are also found to agree well with measurements. Both LDA and GGA, with minor differences, reproduce well the experimental results for Tc.

Computation of Turbulent Wake Flows in Variable Pressure Gradient

NASA Technical Reports Server (NTRS)

Duquesne, N.; Carlson, J. R.; Rumsey, C. L.; Gatski, T. B.

1999-01-01

Transport aircraft performance is strongly influenced by the effectiveness of high-lift systems. Developing wakes generated by the airfoil elements are subjected to strong pressure gradients and can thicken very rapidly, limiting maximum lift. This paper focuses on the effects of various pressure gradients on developing symmetric wakes and on the ability of a linear eddy viscosity model and a non-linear explicit algebraic stress model to accurately predict their downstream evolution. In order to reduce the uncertainties arising from numerical issues when assessing the performance of turbulence models, three different numerical codes with the same turbulence models are used. Results are compared to available experimental data to assess the accuracy of the computational results.

Preparation of an Arg-Glu-Asp-Val Peptide Density Gradient on Hyaluronic Acid-Coated Poly(ε-caprolactone) Film and Its Influence on the Selective Adhesion and Directional Migration of Endothelial Cells.

PubMed

Yu, Shan; Gao, Ying; Mei, Xu; Ren, Tanchen; Liang, Su; Mao, Zhengwei; Gao, Changyou

2016-11-02

Selective adhesion and migration of endothelial cells (ECs) over smooth muscle cells (SMCs) is very important in the rapid endothelialization of blood-contacting implants to prevent vascular restenosis. In this study, a uniform cell-resistant layer of methacrylate-functionalized hyaluronic acid (HA) was first immobilized on a poly(ε-caprolactone) (PCL) film via polydopamine coupling. Then, a density gradient of thiol-functionalized Arg-Glu-Asp-Val (REDV) peptide was prepared on the HA layer via thiol-ene click chemistry and the continuous injection method. The REDV gradient selectively enhanced EC adhesion and preferential directional migration toward the region of higher REDV density, reaching 86% directionality in the middle of the gradient. The migration rate of ECs was also significantly enhanced twofold compared with that on tissue culture polystyrene (TCPS). In contrast, the gradient significantly weakened the adhesion of SMCs to 25% of that on TCPS but had no obvious impact on the migration rate and directionality. Successful modulation of the selective adhesion and directional migration of ECs over SMCs on biodegradable polymers serves as an important step toward practical applications for guided tissue regeneration.

Integrating Reverse-Electrodialysis Stacks with Flow Batteries for Improved Energy Recovery from Salinity Gradients and Energy Storage.

PubMed

Zhu, Xiuping; Kim, Taeyoung; Rahimi, Mohammad; Gorski, Christopher A; Logan, Bruce E

2017-02-22

Salinity gradient energy can be directly converted into electrical power by using reverse electrodialysis (RED) and other technologies, but reported power densities have been too low for practical applications. Herein, the RED stack performance was improved by using 2,6-dihydroxyanthraquinone and ferrocyanide as redox couples. These electrolytes were then used in a flow battery to produce an integrated RED stack and flow battery (RED-FB) system capable of capturing, storing, and discharging salinity gradient energy. Energy captured from the RED stack was discharged in the flow battery at a maximum power density of 3.0 kW m -2 -anode, which was similar to the flow batteries charged by electrical power and could be used for practical applications. Salinity gradient energy captured from the RED stack was recovered from the electrolytes as electricity with 30 % efficiency, and the maximum energy density of the system was 2.4 kWh m -3 -anolyte. The combined RED-FB system overcomes many limitations of previous approaches to capture, store, and use salinity gradient energy from natural or engineered sources. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Experimental study of stochastic noise propagation in SPECT images reconstructed using the conjugate gradient algorithm.

PubMed

Mariano-Goulart, D; Fourcade, M; Bernon, J L; Rossi, M; Zanca, M

2003-01-01

Thanks to an experimental study based on simulated and physical phantoms, the propagation of the stochastic noise in slices reconstructed using the conjugate gradient algorithm has been analysed versus iterations. After a first increase corresponding to the reconstruction of the signal, the noise stabilises before increasing linearly with iterations. The level of the plateau as well as the slope of the subsequent linear increase depends on the noise in the projection data.

Kinetic-scale fluctuations resolved with the Fast Plasma Investigation on NASA's Magnetospheric Multiscale mission.

NASA Astrophysics Data System (ADS)

Gershman, D. J.; Figueroa-Vinas, A.; Dorelli, J.; Goldstein, M. L.; Shuster, J. R.; Avanov, L. A.; Boardsen, S. A.; Stawarz, J. E.; Schwartz, S. J.; Schiff, C.; Lavraud, B.; Saito, Y.; Paterson, W. R.; Giles, B. L.; Pollock, C. J.; Strangeway, R. J.; Russell, C. T.; Torbert, R. B.; Moore, T. E.; Burch, J. L.

2017-12-01

Measurements from the Fast Plasma Investigation (FPI) on NASA's Magnetospheric Multiscale (MMS) mission have enabled unprecedented analyses of kinetic-scale plasma physics. FPI regularly provides estimates of current density and pressure gradients of sufficient accuracy to evaluate the relative contribution of terms in plasma equations of motion. In addition, high-resolution three-dimensional velocity distribution functions of both ions and electrons provide new insights into kinetic-scale processes. As an example, for a monochromatic kinetic Alfven wave (KAW) we find non-zero, but out-of-phase parallel current density and electric field fluctuations, providing direct confirmation of the conservative energy exchange between the wave field and particles. In addition, we use fluctuations in current density and magnetic field to calculate the perpendicular and parallel wavelengths of the KAW. Furthermore, examination of the electron velocity distribution inside the KAW reveals a population of electrons non-linearly trapped in the kinetic-scale magnetic mirror formed between successive wave peaks. These electrons not only contribute to the wave's parallel electric field but also account for over half of the density fluctuations within the wave, supplying an unexpected mechanism for maintaining quasi-neutrality in a KAW. Finally, we demonstrate that the employed wave vector determination technique is also applicable to broadband fluctuations found in Earth's turbulent magnetosheath.

Percolation and permeability of heterogeneous fracture networks

NASA Astrophysics Data System (ADS)

Adler, Pierre; Mourzenko, Valeri; Thovert, Jean-François

2013-04-01

Natural fracture fields are almost necessarily heterogeneous with a fracture density varying with space. Two classes of variations are quite frequent. In the first one, the fracture density is decreasing from a given surface; the fracture density is usually (but not always see [1]) an exponential function of depth as it has been shown by many measurements. Another important example of such an exponential decrease consists of the Excavated Damaged Zone (EDZ) which is created by the excavation process of a gallery [2,3]. In the second one, the fracture density undergoes some local random variations around an average value. This presentation is mostly focused on the first class and numerical samples are generated with an exponentially decreasing density from a given plane surface. Their percolation status and hydraulic transmissivity can be calculated by the numerical codes which are detailed in [4]. Percolation is determined by a pseudo diffusion algorithm. Flow determination necessitates the meshing of the fracture networks and the discretisation of the Darcy equation by a finite volume technique; the resulting linear system is solved by a conjugate gradient algorithm. Only the flow properties of the EDZ along the directions which are parallel to the wall are of interest when a pressure gradient parallel to the wall is applied. The transmissivity T which relates the total flow rate per unit width Q along the wall through the whole fractured medium to the pressure gradient grad p, is defined by Q = - T grad p/mu where mu is the fluid viscosity. The percolation status and hydraulic transmissivity are systematically determined for a wide range of decay lengths and anisotropy parameters. They can be modeled by comparison with anisotropic fracture networks with a constant density. A heuristic power-law model is proposed which accurately describes the results for the percolation threshold over the whole investigated range of heterogeneity and anisotropy. Then, the data for transmissivity are presented. A simple parallel flow model is introduced. The flow properties of the medium vary with the distance z from the wall. However, the macroscopic pressure gradient does not depend on z, and the flow lines are in average parallel to the wall. Hence, the overall transmissivity is tentatively estimated by a parallel flow model, where a layer at depth z behaves as a fractured medium with uniform properties corresponding to the state at this position in the medium. It yields an explicit analytical expression for the transmissivity as a function of the heterogeneity and anisotropy parameters, and it successfully accounts for all the numerical data. Graphical tools are provided from which first estimates can be quickly and easily obtained. A short overview of the second class of heterogeneous media will be given. [1] Barton C.A., Zoback M.D., J. Geophys. Res., 97B, 5181-5200 (1992). [2] Bossart P. et al, Eng. Geol., vol. 66, 19-38 (2002). [3] Thovert J.-F. et al, Eng. Geol., 117, 39-51 (2011). [4] Adler P.M. et al, Fractured porous media, Oxford U. Press, 2012.

Implementation and application of a gradient enhanced crystal plasticity model

NASA Astrophysics Data System (ADS)

Soyarslan, C.; Perdahcıoǧlu, E. S.; Aşık, E. E.; van den Boogaard, A. H.; Bargmann, S.

2017-10-01

A rate-independent crystal plasticity model is implemented in which description of the hardening of the material is given as a function of the total dislocation density. The evolution of statistically stored dislocations (SSDs) is described using a saturating type evolution law. The evolution of geometrically necessary dislocations (GNDs) on the other hand is described using the gradient of the plastic strain tensor in a non-local manner. The gradient of the incremental plastic strain tensor is computed explicitly during an implicit FE simulation after each converged step. Using the plastic strain tensor stored as state variables at each integration point and an efficient numerical algorithm to find the gradients, the GND density is obtained. This results in a weak coupling of the equilibrium solution and the gradient enhancement. The algorithm is applied to an academic test problem which considers growth of a cylindrical void in a single crystal matrix.

Voltage gradient mapping and electrophysiologically guided cryoablation in children with AVNRT.

PubMed

Drago, Fabrizio; Battipaglia, Irma; Russo, Mario Salvatore; Remoli, Romolo; Pazzano, Vincenzo; Grifoni, Gino; Allegretti, Greta; Silvetti, Massimo Stefano

2018-04-01

Recently, voltage gradient mapping of Koch's triangle to find low-voltage connections, or 'voltage bridges', corresponding to the anatomic position of the slow pathway, has been introduced as a method to ablate atrioventricular nodal reentry tachycardia (AVNRT) in children. Thus, we aimed to assess the effectiveness of voltage mapping of Koch's triangle, combined with the search for the slow potential signal in 'low-voltage bridges', to guide cryoablation of AVNRT in children. From June 2015 to May 2016, 35 consecutive paediatric patients (mean age 12.1 ± 4.5 years) underwent 3D-guided cryoablation of AVNRT at our Institution. Fifteen children were enrolled as control group (mean age 14 ± 4 years). A voltage gradient mapping of Koch's triangle was obtained in all patients, showing low-voltage connections in all children with AVNRT but not in controls. Prior to performing cryoablation, we looked for the typical 'hump and spike' electrogram, generally considered to be representative of slow pathway potential within a low-voltage bridge. In all patients the 'hump and spike' electrogram was found inside bridges of low voltage. Focal or high-density linear lesions, extended or not, were delivered guided by low-voltage bridge visualization. Acute success rate was 100%, and no recurrence was reported at a mean follow-up of 8 ± 3 months. Voltage gradient mapping of Koch's triangle, combined with the search for the slow potential signal in low-voltage bridges, is effective in guiding cryoablation of AVNRT in paediatric patients, with a complete acute success rate and no AVNRT recurrences at mid-term follow-up.

Effect of composition gradient on magnetothermal instability modified by shear and rotation

NASA Astrophysics Data System (ADS)

Gupta, Himanshu; Chaudhuri, Anya; Sadhukhan, Shubhadeep; Chakraborty, Sagar

2018-02-01

We model the intracluster medium as a weakly collisional plasma that is a binary mixture of the hydrogen and the helium ions, along with free electrons. When, owing to the helium sedimentation, the gradient of the mean-molecular weight (or equivalently, composition or helium ions' concentration) of the plasma is not negligible, it can have appreciable influence on the stability criteria of the thermal convective instabilities, e.g. the heat-flux-buoyancy instability and the magnetothermal instability (MTI). These instabilities are consequences of the anisotropic heat conduction occurring preferentially along the magnetic field lines. In this paper, without ignoring the magnetic tension, we first present the mathematical criterion for the onset of composition gradient modified MTI. Subsequently, we relax the commonly adopted equilibrium state in which the plasma is at rest, and assume that the plasma is in a sheared state which may be due to differential rotation. We discuss how the concentration gradient affects the coupling between the Kelvin-Helmholtz instability and the MTI in rendering the plasma unstable or stable. We derive exact stability criterion by working with the sharp boundary case in which the physical variables - temperature, mean-molecular weight, density and magnetic field - change discontinuously from one constant value to another on crossing the boundary. Finally, we perform the linear stability analysis for the case of the differentially rotating plasma that is thermally and compositionally stratified as well. By assuming axisymmetric perturbations, we find the corresponding dispersion relation and the explicit mathematical expression determining the onset of the modified MTI.

Plant species invasions along the latitudinal gradient in the United States

USGS Publications Warehouse

Stohlgren, T.J.; Barnett, D.; Flather, C.; Kartesz, J.; Peterjohn, B.

2005-01-01

It has been long established that the richness of vascular plant species and many animal taxa decreases with increasing latitude, a pattern that very generally follows declines in actual and potential evapotranspiration, solar radiation, temperature, and thus, total productivity. Using county-level data on vascular plants from the United States (3000 counties in the conterminous 48 states), we used the Akaike Information Criterion (AIC) to evaluate competing models predicting native and nonnative plant species density (number of species per square kilometer in a county) from various combinations of biotic variables (e.g., native bird species density, vegetation carbon, normalized difference vegetation index), environmental/topographic variables (elevation, variation in elevation, the number of land cover classes in the county; radiation, mean precipitation, actual evapotranspiration, and potential evapotranspiration), and human variables (human population density, crop-land, and percentage of disturbed lands in a county). We found no evidence of a latitudinal gradient for the density of native plant species and a significant, slightly positive latitudinal gradient for the density of nonnative plant species. We found stronger evidence of a significant, positive productivity gradient (vegetation carbon) for the density of native plant species and nonnative plant species. We found much stronger significant relationships when biotic, environmental/topographic, and human variables were used to predict native plant species density and nonnative plant species density. Biotic variables generally had far greater influence in multivariate models than human or environmental/topographic variables. Later, we found that the best, single, positive predictor of the density of nonnative plant species in a county was the density of native plant species in a county. While further study is needed, it may be that, while humans facilitate the initial establishment invasions of nonnative plant species, the spread and subsequent distributions of nonnative species are controlled largely by biotic and environmental factors.

Mechanochemical spinodal decomposition: a phenomenological theory of phase transformations in multi-component, crystalline solids

DOE PAGES

Rudraraju, Shiva; Van der Ven, Anton; Garikipati, Krishna

2016-06-10

Here, we present a phenomenological treatment of diffusion-driven martensitic phase transformations in multi-component crystalline solids that arise from non-convex free energies in mechanical and chemical variables. The treatment describes diffusional phase transformations that are accompanied by symmetry-breaking structural changes of the crystal unit cell and reveals the importance of a mechanochemical spinodal, defined as the region in strain-composition space, where the free-energy density function is non-convex. The approach is relevant to phase transformations wherein the structural order parameters can be expressed as linear combinations of strains relative to a high-symmetry reference crystal. The governing equations describing mechanochemical spinodal decomposition aremore » variationally derived from a free-energy density function that accounts for interfacial energy via gradients of the rapidly varying strain and composition fields. A robust computational framework for treating the coupled, higher-order diffusion and nonlinear strain gradient elasticity problems is presented. Because the local strains in an inhomogeneous, transforming microstructure can be finite, the elasticity problem must account for geometric nonlinearity. An evaluation of available experimental phase diagrams and first-principles free energies suggests that mechanochemical spinodal decomposition should occur in metal hydrides such as ZrH 2-2c. The rich physics that ensues is explored in several numerical examples in two and three dimensions, and the relevance of the mechanism is discussed in the context of important electrode materials for Li-ion batteries and high-temperature ceramics.« less

Effects of episodic rainfall on a subterranean estuary

NASA Astrophysics Data System (ADS)

Yu, Xiayang; Xin, Pei; Lu, Chunhui; Robinson, Clare; Li, Ling; Barry, D. A.

2017-07-01

Numerical simulations were conducted to examine the effect of episodic rainfall on nearshore groundwater dynamics in a tidally influenced unconfined coastal aquifer, with a focus on both long-term (yearly) and short-term (daily) behavior of submarine groundwater discharge (SGD) and seawater intrusion (SWI). The results showed nonlinear interactions among the processes driven by rainfall, tides, and density gradients. Rainfall-induced infiltration increased the yearly averaged fresh groundwater discharge to the ocean but reduced the extents of the saltwater wedge and upper saline plume as well as the total rate of seawater circulation through both zones. Overall, the net effect of the interactions led to an increase of the SGD. The nearshore groundwater responded to individual rainfall events in a delayed and cumulative fashion, as evident in the variations of daily averaged SGD and salt stored in the saltwater wedge (quantifying the extent of SWI). A generalized linear model (GLM) along with a Gamma distribution function was developed to describe the delayed and prolonged effect of rainfall events on short-term groundwater behavior. This model validated with results of daily averaged SGD and SWI from the simulations of groundwater and solute transport using independent rainfall data sets, performed well in predicting the behavior of the nearshore groundwater system under the combined influence of episodic rainfall, tides, and density gradients. The findings and developed GLM form a basis for evaluating and predicting SGD, SWI, and associated mass fluxes from unconfined coastal aquifers under natural conditions, including episodic rainfall.

Thermospheric neutral density estimates from heater-induced ion up-flow at EISCAT

NASA Astrophysics Data System (ADS)

Kosch, Michael; Ogawa, Yasunobu; Yamazaki, Yosuke; Vickers, Hannah; Blagoveshchenskaya, Nataly

We exploit a recently-developed technique to estimate the upper thermospheric neutral density using measurements of ionospheric plasma parameters made by the EISCAT UHF radar during ionospheric modification experiments. Heating the electrons changes the balance between upward plasma pressure gradient and downward gravity, resulting in ion up-flow up to ~200 m/s. This field-aligned flow is retarded by collisions, which is directly related to the neutral density. Whilst the ion up-flow is consistent with the plasma pressure gradient, the estimated thermospheric neutral density depends on the assumed composition, which varies with altitude. Results in the topside ionosphere are presented.

Derivation of general analytic gradient expressions for density-fitted post-Hartree-Fock methods: An efficient implementation for the density-fitted second-order Møller–Plesset perturbation theory

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

Bozkaya, Uğur, E-mail: ugur.bozkaya@atauni.edu.tr

General analytic gradient expressions (with the frozen-core approximation) are presented for density-fitted post-HF methods. An efficient implementation of frozen-core analytic gradients for the second-order Møller–Plesset perturbation theory (MP2) with the density-fitting (DF) approximation (applying to both reference and correlation energies), which is denoted as DF-MP2, is reported. The DF-MP2 method is applied to a set of alkanes, conjugated dienes, and noncovalent interaction complexes to compare the computational cost of single point analytic gradients with MP2 with the resolution of the identity approach (RI-MP2) [F. Weigend and M. Häser, Theor. Chem. Acc. 97, 331 (1997); R. A. Distasio, R. P. Steele,more » Y. M. Rhee, Y. Shao, and M. Head-Gordon, J. Comput. Chem. 28, 839 (2007)]. In the RI-MP2 method, the DF approach is used only for the correlation energy. Our results demonstrate that the DF-MP2 method substantially accelerate the RI-MP2 method for analytic gradient computations due to the reduced input/output (I/O) time. Because in the DF-MP2 method the DF approach is used for both reference and correlation energies, the storage of 4-index electron repulsion integrals (ERIs) are avoided, 3-index ERI tensors are employed instead. Further, as in case of integrals, our gradient equation is completely avoid construction or storage of the 4-index two-particle density matrix (TPDM), instead we use 2- and 3-index TPDMs. Hence, the I/O bottleneck of a gradient computation is significantly overcome. Therefore, the cost of the generalized-Fock matrix (GFM), TPDM, solution of Z-vector equations, the back transformation of TPDM, and integral derivatives are substantially reduced when the DF approach is used for the entire energy expression. Further application results show that the DF approach introduce negligible errors for closed-shell reaction energies and equilibrium bond lengths.« less

GRAIL Spots Gravity Anomaly

NASA Image and Video Library

2012-12-05

A 300-mile-long linear gravity anomaly on the far side of the moon has been revealed by gravity gradients measured by NASA GRAIL mission. GRAIL data are shown on the left, with red and blue corresponding to stronger gravity gradients.

High-order accurate finite-volume formulations for the pressure gradient force in layered ocean models

NASA Astrophysics Data System (ADS)

Engwirda, Darren; Kelley, Maxwell; Marshall, John

2017-08-01

Discretisation of the horizontal pressure gradient force in layered ocean models is a challenging task, with non-trivial interactions between the thermodynamics of the fluid and the geometry of the layers often leading to numerical difficulties. We present two new finite-volume schemes for the pressure gradient operator designed to address these issues. In each case, the horizontal acceleration is computed as an integration of the contact pressure force that acts along the perimeter of an associated momentum control-volume. A pair of new schemes are developed by exploring different control-volume geometries. Non-linearities in the underlying equation-of-state definitions and thermodynamic profiles are treated using a high-order accurate numerical integration framework, designed to preserve hydrostatic balance in a non-linear manner. Numerical experiments show that the new methods achieve high levels of consistency, maintaining hydrostatic and thermobaric equilibrium in the presence of strongly-sloping layer geometries, non-linear equations-of-state and non-uniform vertical stratification profiles. These results suggest that the new pressure gradient formulations may be appropriate for general circulation models that employ hybrid vertical coordinates and/or terrain-following representations.

Gyrokinetic GDC turbulence simulations: confirming a new instability regime in LAPD plasmas

NASA Astrophysics Data System (ADS)

Pueschel, M. J.; Rossi, G.; Told, D.; Terry, P. W.; Jenko, F.; Carter, T. A.

2016-10-01

Recent high-beta experiments at the LArge Plasma Device have found significant parallel magnetic fluctuations in the region of large pressure gradients. Linear gyrokinetic simulations show the dominant instability at these radii to be the gradient-driven drift coupling (GDC) mode, a non-textbook mode driven by pressure gradients and destabilized by the coupling of ExB and grad-B∥ drifts. Unlike in previous studies, the large parallel extent of the device allows for finite-kz versions of this instability in addition to kz = 0 . The locations of maximum linear growth match very well with experimentally observed peaks of B∥ fluctuations. Local nonlinear simulations reproduce many features of the observations fairly well, with the exception of Bperp fluctuations, for which experimental profiles suggest a source unrelated to pressure gradients. In toto, the results presented here show that turbulence and transport in these experiments are driven by the GDC instability, that important characteristics of the linear instability carry over to nonlinear simulations, and - in the context of validation - that the gyrokinetic framework performs surprisingly well far outside its typical area of application, increasing confidence in its predictive abilities. Supported by U.S. DOE.

Gradient optimization and nonlinear control

NASA Technical Reports Server (NTRS)

Hasdorff, L.

1976-01-01

The book represents an introduction to computation in control by an iterative, gradient, numerical method, where linearity is not assumed. The general language and approach used are those of elementary functional analysis. The particular gradient method that is emphasized and used is conjugate gradient descent, a well known method exhibiting quadratic convergence while requiring very little more computation than simple steepest descent. Constraints are not dealt with directly, but rather the approach is to introduce them as penalty terms in the criterion. General conjugate gradient descent methods are developed and applied to problems in control.

Cs2SO4 Gradients Containing Both Hg2+ and Ag+ Effect the Complete Separation of Satellite Deoxyribonucleic Acids Having Identical Densities in Neutral CsCl Gradients

PubMed Central

Skinner, Dorothy M.; Beattie, Wanda G.

1973-01-01

A combination of both Ag+ and Hg2+ in Cs2SO4 effects the complete separation of two DNAs having identical densities in CsCl. Satellite DNAs of hermit crab, Pagurus pollicaris, and lobster, Homarus americanus, have been isolated by this means. PMID:4522292

High frequency drift instabilities in a dusty plasma

NASA Technical Reports Server (NTRS)

Rosenberg, M.; Krall, N. A.

1994-01-01

High frequency drift instabilities with omega(sub ce) much greater than omega which is greater than omega(sub ci) are investigated in a dusty magnetized plasma in which locally there is an electron density gradient which is opposite in sign to a dust density gradient. Two different equilibria are considered, characterized by rho(sub d) greater than L(sub d) and less than L(sub d), where rho(sub d) is the dust gyroradius and L(sub nd) is the dust density scale length. Possible application to Saturn's F-ring is discussed.

Recent developments in LIBXC - A comprehensive library of functionals for density functional theory

NASA Astrophysics Data System (ADS)

Lehtola, Susi; Steigemann, Conrad; Oliveira, Micael J. T.; Marques, Miguel A. L.

2018-01-01

LIBXC is a library of exchange-correlation functionals for density-functional theory. We are concerned with semi-local functionals (or the semi-local part of hybrid functionals), namely local-density approximations, generalized-gradient approximations, and meta-generalized-gradient approximations. Currently we include around 400 functionals for the exchange, correlation, and the kinetic energy, spanning more than 50 years of research. Moreover, LIBXC is by now used by more than 20 codes, not only from the atomic, molecular, and solid-state physics, but also from the quantum chemistry communities.

3D joint inversion of gravity-gradient and borehole gravity data

NASA Astrophysics Data System (ADS)

Geng, Meixia; Yang, Qingjie; Huang, Danian

2017-12-01

Borehole gravity is increasingly used in mineral exploration due to the advent of slim-hole gravimeters. Given the full-tensor gradiometry data available nowadays, joint inversion of surface and borehole data is a logical next step. Here, we base our inversions on cokriging, which is a geostatistical method of estimation where the error variance is minimised by applying cross-correlation between several variables. In this study, the density estimates are derived using gravity-gradient data, borehole gravity and known densities along the borehole as a secondary variable and the density as the primary variable. Cokriging is non-iterative and therefore is computationally efficient. In addition, cokriging inversion provides estimates of the error variance for each model, which allows direct assessment of the inverse model. Examples are shown involving data from a single borehole, from multiple boreholes, and combinations of borehole gravity and gravity-gradient data. The results clearly show that the depth resolution of gravity-gradient inversion can be improved significantly by including borehole data in addition to gravity-gradient data. However, the resolution of borehole data falls off rapidly as the distance between the borehole and the feature of interest increases. In the case where the borehole is far away from the target of interest, the inverted result can be improved by incorporating gravity-gradient data, especially all five independent components for inversion.

Blind beam-hardening correction from Poisson measurements

NASA Astrophysics Data System (ADS)

Gu, Renliang; Dogandžić, Aleksandar

2016-02-01

We develop a sparse image reconstruction method for Poisson-distributed polychromatic X-ray computed tomography (CT) measurements under the blind scenario where the material of the inspected object and the incident energy spectrum are unknown. We employ our mass-attenuation spectrum parameterization of the noiseless measurements and express the mass- attenuation spectrum as a linear combination of B-spline basis functions of order one. A block coordinate-descent algorithm is developed for constrained minimization of a penalized Poisson negative log-likelihood (NLL) cost function, where constraints and penalty terms ensure nonnegativity of the spline coefficients and nonnegativity and sparsity of the density map image; the image sparsity is imposed using a convex total-variation (TV) norm penalty term. This algorithm alternates between a Nesterov's proximal-gradient (NPG) step for estimating the density map image and a limited-memory Broyden-Fletcher-Goldfarb-Shanno with box constraints (L-BFGS-B) step for estimating the incident-spectrum parameters. To accelerate convergence of the density- map NPG steps, we apply function restart and a step-size selection scheme that accounts for varying local Lipschitz constants of the Poisson NLL. Real X-ray CT reconstruction examples demonstrate the performance of the proposed scheme.

Urban climate modifies tree growth in Berlin

NASA Astrophysics Data System (ADS)

Dahlhausen, Jens; Rötzer, Thomas; Biber, Peter; Uhl, Enno; Pretzsch, Hans

2017-12-01

Climate, e.g., air temperature and precipitation, differs strongly between urban and peripheral areas, which causes diverse life conditions for trees. In order to compare tree growth, we sampled in total 252 small-leaved lime trees (Tilia cordata Mill) in the city of Berlin along a gradient from the city center to the surroundings. By means of increment cores, we are able to trace back their growth for the last 50 to 100 years. A general growth trend can be shown by comparing recent basal area growth with estimates from extrapolating a growth function that had been fitted with growth data from earlier years. Estimating a linear model, we show that air temperature and precipitation significantly influence tree growth within the last 20 years. Under consideration of housing density, the results reveal that higher air temperature and less precipitation led to higher growth rates in high-dense areas, but not in low-dense areas. In addition, our data reveal a significantly higher variance of the ring width index in areas with medium housing density compared to low housing density, but no temporal trend. Transferring the results to forest stands, climate change is expected to lead to higher tree growth rates.

A study of perturbations in scalar-tensor theory using 1 + 3 covariant approach

NASA Astrophysics Data System (ADS)

Ntahompagaze, Joseph; Abebe, Amare; Mbonye, Manasse

This work discusses scalar-tensor theories of gravity, with a focus on the Brans-Dicke sub-class, and one that also takes note of the latter’s equivalence with f(R) gravitation theories. A 1 + 3 covariant formalism is used in this case to discuss covariant perturbations on a background Friedmann-Laimaître-Robertson-Walker (FLRW) spacetime. Linear perturbation equations are developed based on gauge-invariant gradient variables. Both scalar and harmonic decompositions are applied to obtain second-order equations. These equations can then be used for further analysis of the behavior of the perturbation quantities in such a scalar-tensor theory of gravitation. Energy density perturbations are studied for two systems, namely for a scalar fluid-radiation system and for a scalar fluid-dust system, for Rn models. For the matter-dominated era, it is shown that the dust energy density perturbations grow exponentially, a result which agrees with those already existing in the literatures. In the radiation-dominated era, it is found that the behavior of the radiation energy-density perturbations is oscillatory, with growing amplitudes for n > 1, and with decaying amplitudes for 0 < n < 1. This is a new result.

Enhanced NMR Discrimination of Pharmaceutically Relevant Molecular Crystal Forms through Fragment-Based Ab Initio Chemical Shift Predictions.

PubMed

Hartman, Joshua D; Day, Graeme M; Beran, Gregory J O

2016-11-02

Chemical shift prediction plays an important role in the determination or validation of crystal structures with solid-state nuclear magnetic resonance (NMR) spectroscopy. One of the fundamental theoretical challenges lies in discriminating variations in chemical shifts resulting from different crystallographic environments. Fragment-based electronic structure methods provide an alternative to the widely used plane wave gauge-including projector augmented wave (GIPAW) density functional technique for chemical shift prediction. Fragment methods allow hybrid density functionals to be employed routinely in chemical shift prediction, and we have recently demonstrated appreciable improvements in the accuracy of the predicted shifts when using the hybrid PBE0 functional instead of generalized gradient approximation (GGA) functionals like PBE. Here, we investigate the solid-state 13 C and 15 N NMR spectra for multiple crystal forms of acetaminophen, phenobarbital, and testosterone. We demonstrate that the use of the hybrid density functional instead of a GGA provides both higher accuracy in the chemical shifts and increased discrimination among the different crystallographic environments. Finally, these results also provide compelling evidence for the transferability of the linear regression parameters mapping predicted chemical shieldings to chemical shifts that were derived in an earlier study.

Enhanced NMR Discrimination of Pharmaceutically Relevant Molecular Crystal Forms through Fragment-Based Ab Initio Chemical Shift Predictions

PubMed Central

2016-01-01

Chemical shift prediction plays an important role in the determination or validation of crystal structures with solid-state nuclear magnetic resonance (NMR) spectroscopy. One of the fundamental theoretical challenges lies in discriminating variations in chemical shifts resulting from different crystallographic environments. Fragment-based electronic structure methods provide an alternative to the widely used plane wave gauge-including projector augmented wave (GIPAW) density functional technique for chemical shift prediction. Fragment methods allow hybrid density functionals to be employed routinely in chemical shift prediction, and we have recently demonstrated appreciable improvements in the accuracy of the predicted shifts when using the hybrid PBE0 functional instead of generalized gradient approximation (GGA) functionals like PBE. Here, we investigate the solid-state 13C and 15N NMR spectra for multiple crystal forms of acetaminophen, phenobarbital, and testosterone. We demonstrate that the use of the hybrid density functional instead of a GGA provides both higher accuracy in the chemical shifts and increased discrimination among the different crystallographic environments. Finally, these results also provide compelling evidence for the transferability of the linear regression parameters mapping predicted chemical shieldings to chemical shifts that were derived in an earlier study. PMID:27829821

Multipolar Ewald methods, 1: theory, accuracy, and performance.

PubMed

Giese, Timothy J; Panteva, Maria T; Chen, Haoyuan; York, Darrin M

2015-02-10

The Ewald, Particle Mesh Ewald (PME), and Fast Fourier–Poisson (FFP) methods are developed for systems composed of spherical multipole moment expansions. A unified set of equations is derived that takes advantage of a spherical tensor gradient operator formalism in both real space and reciprocal space to allow extension to arbitrary multipole order. The implementation of these methods into a novel linear-scaling modified “divide-and-conquer” (mDC) quantum mechanical force field is discussed. The evaluation times and relative force errors are compared between the three methods, as a function of multipole expansion order. Timings and errors are also compared within the context of the quantum mechanical force field, which encounters primary errors related to the quality of reproducing electrostatic forces for a given density matrix and secondary errors resulting from the propagation of the approximate electrostatics into the self-consistent field procedure, which yields a converged, variational, but nonetheless approximate density matrix. Condensed-phase simulations of an mDC water model are performed with the multipolar PME method and compared to an electrostatic cutoff method, which is shown to artificially increase the density of water and heat of vaporization relative to full electrostatic treatment.

Urban climate modifies tree growth in Berlin

NASA Astrophysics Data System (ADS)

Dahlhausen, Jens; Rötzer, Thomas; Biber, Peter; Uhl, Enno; Pretzsch, Hans

2018-05-01

Climate, e.g., air temperature and precipitation, differs strongly between urban and peripheral areas, which causes diverse life conditions for trees. In order to compare tree growth, we sampled in total 252 small-leaved lime trees ( Tilia cordata Mill) in the city of Berlin along a gradient from the city center to the surroundings. By means of increment cores, we are able to trace back their growth for the last 50 to 100 years. A general growth trend can be shown by comparing recent basal area growth with estimates from extrapolating a growth function that had been fitted with growth data from earlier years. Estimating a linear model, we show that air temperature and precipitation significantly influence tree growth within the last 20 years. Under consideration of housing density, the results reveal that higher air temperature and less precipitation led to higher growth rates in high-dense areas, but not in low-dense areas. In addition, our data reveal a significantly higher variance of the ring width index in areas with medium housing density compared to low housing density, but no temporal trend. Transferring the results to forest stands, climate change is expected to lead to higher tree growth rates.

Urban climate modifies tree growth in Berlin.

PubMed

Dahlhausen, Jens; Rötzer, Thomas; Biber, Peter; Uhl, Enno; Pretzsch, Hans

2018-05-01

Climate, e.g., air temperature and precipitation, differs strongly between urban and peripheral areas, which causes diverse life conditions for trees. In order to compare tree growth, we sampled in total 252 small-leaved lime trees (Tilia cordata Mill) in the city of Berlin along a gradient from the city center to the surroundings. By means of increment cores, we are able to trace back their growth for the last 50 to 100 years. A general growth trend can be shown by comparing recent basal area growth with estimates from extrapolating a growth function that had been fitted with growth data from earlier years. Estimating a linear model, we show that air temperature and precipitation significantly influence tree growth within the last 20 years. Under consideration of housing density, the results reveal that higher air temperature and less precipitation led to higher growth rates in high-dense areas, but not in low-dense areas. In addition, our data reveal a significantly higher variance of the ring width index in areas with medium housing density compared to low housing density, but no temporal trend. Transferring the results to forest stands, climate change is expected to lead to higher tree growth rates.

Influence of smooth temperature variation on hotspot ignition

DOE PAGES

Reinbacher, Fynn; Regele, Jonathan David

2017-10-06

Autoignition in thermally stratified reactive mixtures originates in localised hotspots. The ignition behaviour is often characterised using linear temperature gradients and more recently constant temperature plateaus combined with temperature gradients. Acoustic timescale characterisation of plateau regions has been successfully used to characterise the type of mechanical disturbance that will be created from a plateau core ignition. This work combines linear temperature gradients with superelliptic cores in order to more accurately account for a local temperature maximum of finite size and the smooth temperature variation contained inside realistic hotspot centres. A one-step Arrhenius reaction is used to model a H 2–airmore » reactive mixture. Using the superelliptic approach a range of behaviours for temperature distributions are investigated by varying the temperature profile between the gradient only and plateau and gradient bounding cases. Each superelliptic case is compared to a respective plateau and gradient case where simple acoustic timescale characterisation may be performed. It is shown that hot spots equivalent with excitation-to-acoustic timescale ratios sufficiently greater than unity exhibit behaviour very similar to a simple plateau-gradient model. Furthermore, for larger hot spots with timescale ratios sufficiently less than unity the reaction behaviour is highly dependent on the smooth temperature profile contained within the core region.« less

Influence of smooth temperature variation on hotspot ignition

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

Reinbacher, Fynn; Regele, Jonathan David

Autoignition in thermally stratified reactive mixtures originates in localised hotspots. The ignition behaviour is often characterised using linear temperature gradients and more recently constant temperature plateaus combined with temperature gradients. Acoustic timescale characterisation of plateau regions has been successfully used to characterise the type of mechanical disturbance that will be created from a plateau core ignition. This work combines linear temperature gradients with superelliptic cores in order to more accurately account for a local temperature maximum of finite size and the smooth temperature variation contained inside realistic hotspot centres. A one-step Arrhenius reaction is used to model a H 2–airmore » reactive mixture. Using the superelliptic approach a range of behaviours for temperature distributions are investigated by varying the temperature profile between the gradient only and plateau and gradient bounding cases. Each superelliptic case is compared to a respective plateau and gradient case where simple acoustic timescale characterisation may be performed. It is shown that hot spots equivalent with excitation-to-acoustic timescale ratios sufficiently greater than unity exhibit behaviour very similar to a simple plateau-gradient model. Furthermore, for larger hot spots with timescale ratios sufficiently less than unity the reaction behaviour is highly dependent on the smooth temperature profile contained within the core region.« less

Convergence and contrast in the community structure of Bacteria, Fungi and Archaea along a tropical elevation-climate gradient.

PubMed

Peay, Kabir G; von Sperber, Christian; Cardarelli, Emily; Toju, Hirokazu; Francis, Christopher A; Chadwick, Oliver A; Vitousek, Peter M

2017-05-01

Changes in species richness along climatological gradients have been instrumental in developing theories about the general drivers of biodiversity. Previous studies on microbial communities along climate gradients on mountainsides have revealed positive, negative and neutral richness trends. We examined changes in richness and composition of Fungi, Bacteria and Archaea in soil along a 50-1000 m elevation, 280-3280 mm/yr precipitation gradient in Hawai'i. Soil properties and their drivers are exceptionally well understood along this gradient. All three microbial groups responded strongly to the gradient, with community ordinations being similar along axes of environmental conditions (pH, rainfall) and resource availability (nitrogen, phosphorus). However, the form of the richness-climate relationship varied between Fungi (positive linear), Bacteria (unimodal) and Archaea (negative linear). These differences were related to resource-ecology and limiting conditions for each group, with fungal richness increasing most strongly with soil carbon, ammonia-oxidizing Archaea increasing with nitrogen mineralization rate, and Bacteria increasing with both carbon and pH. Reponses to the gradient became increasingly variable at finer taxonomic scales and within any taxonomic group most individual OTUs occurred in narrow climate-elevation ranges. These results show that microbial responses to climate gradients are heterogeneous due to complexity of underlying environmental changes and the diverse ecologies of microbial taxa. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Great Lakes Region Morphology and Impacts of March 17, 2015 SED Geomagnetic Storm

NASA Astrophysics Data System (ADS)

Heine, T.; Moldwin, M.; Zou, S.

2015-12-01

Under quiet geomagnetic conditions, the mid-latitude ionosphere is relatively uniform with little spatial variation in electron density. However, during intense geomagnetic storms, density gradients associated with Storm Enhanced Density (SED) plumes and Sub-auroral Polarization Streams (SAPS) can move across the dayside mid-latitude ionosphere producing small spatial scale density structure that may be connected to ionospheric scintillation. The evolution of the SED plume during the March 17, 2015 "St. Patrick's Day Storm" is investigated using aggregated data from high resolution GPS receivers at the University of Michigan and throughout the Great Lakes region. Structural density features in the SED gradient can be observed and compared to GPS scintillation measurements—providing insight into the physical mechanisms behind ionospheric scintillation.

Spatial patterns of distribution, abundance, and species diversity of small odontocetes estimated using density surface modeling with line transect sampling

NASA Astrophysics Data System (ADS)

Kanaji, Yu; Okazaki, Makoto; Miyashita, Tomio

2017-06-01

Spatial patterns of distribution, abundance, and species diversity of small odontocetes including species in the Delphinidae and Phocoenidae families were investigated using long-term dedicated sighting survey data collected between 1983 and 2006 in the North Pacific. Species diversity indices were calculated from abundance estimated using density surface modeling of line-transect data. The estimated abundance ranged from 19,521 individuals in killer whale to 1,886,022 in pantropical spotted dolphin. The predicted density maps showed that the habitats of small odontocetes corresponded well with distinct oceanic domains. Species richness was estimated to be highest between 30 and 40°N where warm- and cold-water currents converge. Simpson's Diversity Index showed latitudinal diversity gradients of decreasing species numbers toward the poles. Higher diversity was also estimated in the coastal areas and the zonal areas around 35-42°N. Coastal-offshore gradients and latitudinal gradients are known for many taxa. The zonal areas around 35°N and 40°N coincide with the Kuroshio Current and its extension and the subarctic boundary, respectively. These results suggest that the species diversity of small odontocetes primarily follows general patterns of latitudinal and longitudinal gradients, while the confluence of faunas originating in distinct water masses increases species diversify in frontal waters around 30-40°N. Population densities tended to be higher for the species inhabiting higher latitudes, but were highest for intermediate latitudes at approximately 35-40°N. According to latitudinal gradients in water temperature and biological productivity, the costs for thermoregulation will decrease in warmer low latitudes, while feeding efficiency will increase in colder high latitudes. These trade-offs could optimize population density in intermediate latitudes.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

Within this paper, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. Additionally, the solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

In this article, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

First principles study on structural, electronic and optical properties of Ga1-xBxP ternary alloys (x = 0, 0.25, 0.5, 0.75 and 1)

NASA Astrophysics Data System (ADS)

Hoat, D. M.; Rivas Silva, J. F.; Méndez Blas, A.

2018-07-01

The structural, electronic and optical properties of GaP, BP binary compounds and their ternary alloys Ga1-xBxP (x = 0.25, 0.5 and 0.75) have been studied by full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) as implemented in WIEN2k package. Local density approximation (LDA) and generalized gradient approximation (GGA) as proposed by Perdew-Burke-Ernzerhof (PBE), Wu-Cohen (WC) and PBE for solid (PBESol) were used for treatment of exchange-correlation effect in calculations. Additionally, the Tran-Blaha modified Becke-Johnson (mBJ) potential was also employed for electronic and optical calculations due to that it gives very accurate band gap of solids. As B concentration increases, the lattice constant reduces and the energy band gap firstly decreases for small composition x and then it shows increasing trend until pure BP. Our results show that the indirect-direct band gap transition can be reached from x = 0.33. The linear optical properties, such as reflectivity, absorption coefficient, refractive index and optical conductivity of binary compounds and ternary alloys were derived from their calculated complex dielectric function in wide energy range up to 30 eV, and the alloying effect on these properties was also analyzed in detail.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

DOE PAGES

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; ...

2017-12-01

In this article, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

DOE PAGES

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; ...

2017-08-24

Within this paper, we present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by amore » modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. Additionally, the solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.« less

A representation for the turbulent mass flux contribution to Reynolds-stress and two-equation closures for compressible turbulence

NASA Technical Reports Server (NTRS)

Ristorcelli, J. R.

1993-01-01

The turbulent mass flux, or equivalently the fluctuating Favre velocity mean, appears in the first and second moment equations of compressible kappa-epsilon and Reynolds stress closures. Mathematically it is the difference between the unweighted and density-weighted averages of the velocity field and is therefore a measure of the effects of compressibility through variations in density. It appears to be fundamental to an inhomogeneous compressible turbulence, in which it characterizes the effects of the mean density gradients, in the same way the anisotropy tensor characterizes the effects of the mean velocity gradients. An evolution equation for the turbulent mass flux is derived. A truncation of this equation produces an algebraic expression for the mass flux. The mass flux is found to be proportional to the mean density gradients with a tensor eddy-viscosity that depends on both the mean deformation and the Reynolds stresses. The model is tested in a wall bounded DNS at Mach 4.5 with notable results.

Nuclear DNA contents of Echinchloa crus-galli and its Gaussian relationships with environments

NASA Astrophysics Data System (ADS)

Li, Dan-Dan; Lu, Yong-Liang; Guo, Shui-Liang; Yin, Li-Ping; Zhou, Ping; Lou, Yu-Xia

2017-02-01

Previous studies on plant nuclear DNA content variation and its relationships with environmental gradients produced conflicting results. We speculated that the relationships between nuclear DNA content of a widely-distributed species and its environmental gradients might be non-linear if it was sampled in a large geographical gradient. Echinochloa crus-galli (L.) P. Beauv. is a worldwide species, but without documents on its intraspecific variation of nuclear DNA content. Our objectives are: 1) to detect intraspecific variation scope of E. crus-galli in its nuclear DNA content, and 2) to testify whether nuclear DNA content of the species changes with environmental gradients following Gaussian models if its populations were sampled in a large geographical gradient. We collected seeds of 36 Chinese populations of E. crus-galli across a wide geographical gradient, and sowed them in a homogeneous field to get their offspring to determine their nuclear DNA content. We analyzed the relationships of nuclear DNA content of these populations with latitude, longitude, and nineteen bioclimatic variables by using Gaussian and linear models. (1) Nuclear DNA content varied from 2.113 to 2.410 pg among 36 Chinese populations of E. crus-galli, with a mean value of 2.256 pg. (2) Gaussian correlations of nuclear DNA content (y) with geographical gradients were detected, with latitude (x) following y = 2.2923*e -(x - 24.9360)2/2*63.79452 (r = 0.546, P < 0.001), and with longitude (x) following y = 2.2933*e -(x - 116.1801)2/2*44.74502 (r = 0.672, P < 0.001). (3) Among the nineteen bioclimatic variables, except temperature isothermality, precipitations of the wettest month, the wettest quarter and the warmest quarter, the others could be better fit with nuclear DNA content by using Gaussian models than by linear models. There exists intra-specific variation among 36 Chinese populations of E. crus-galli, Gaussian models could be applied to fit the correlations of its Nuclear DNA content with geographical and most bioclimatic gradients.

The equivalent magnetizing method applied to the design of gradient coils for MRI.

PubMed

Lopez, Hector Sanchez; Liu, Feng; Crozier, Stuart

2008-01-01

This paper presents a new method for the design of gradient coils for Magnetic Resonance Imaging systems. The method is based on the equivalence between a magnetized volume surrounded by a conducting surface and its equivalent representation in surface current/charge density. We demonstrate that the curl of the vertical magnetization induces a surface current density whose stream line defines the coil current pattern. This method can be applied for coils wounds on arbitrary surface shapes. A single layer unshielded transverse gradient coil is designed and compared, with the designs obtained using two conventional methods. Through the presented example we demonstrate that the generated unconventional current patterns obtained using the magnetizing current method produces a superior gradient coil performance than coils designed by applying conventional methods.

Optimization of magnetic flux density measurement using multiple RF receiver coils and multi-echo in MREIT.

PubMed

Jeong, Woo Chul; Chauhan, Munish; Sajib, Saurav Z K; Kim, Hyung Joong; Serša, Igor; Kwon, Oh In; Woo, Eung Je

2014-09-07

Magnetic Resonance Electrical Impedance Tomography (MREIT) is an MRI method that enables mapping of internal conductivity and/or current density via measurements of magnetic flux density signals. The MREIT measures only the z-component of the induced magnetic flux density B = (Bx, By, Bz) by external current injection. The measured noise of Bz complicates recovery of magnetic flux density maps, resulting in lower quality conductivity and current-density maps. We present a new method for more accurate measurement of the spatial gradient of the magnetic flux density gradient (∇ Bz). The method relies on the use of multiple radio-frequency receiver coils and an interleaved multi-echo pulse sequence that acquires multiple sampling points within each repetition time. The noise level of the measured magnetic flux density Bz depends on the decay rate of the signal magnitude, the injection current duration, and the coil sensitivity map. The proposed method uses three key steps. The first step is to determine a representative magnetic flux density gradient from multiple receiver coils by using a weighted combination and by denoising the measured noisy data. The second step is to optimize the magnetic flux density gradient by using multi-echo magnetic flux densities at each pixel in order to reduce the noise level of ∇ Bz and the third step is to remove a random noise component from the recovered ∇ Bz by solving an elliptic partial differential equation in a region of interest. Numerical simulation experiments using a cylindrical phantom model with included regions of low MRI signal to noise ('defects') verified the proposed method. Experimental results using a real phantom experiment, that included three different kinds of anomalies, demonstrated that the proposed method reduced the noise level of the measured magnetic flux density. The quality of the recovered conductivity maps using denoised ∇ Bz data showed that the proposed method reduced the conductivity noise level up to 3-4 times at each anomaly region in comparison to the conventional method.

Joint Analysis of GOCE Gravity Gradients Data with Seismological and Geodynamic Observations to Infer Mantle Properties

NASA Astrophysics Data System (ADS)

Metivier, L.; Greff-Lefftz, M.; Panet, I.; Pajot-Métivier, G.; Caron, L.

2014-12-01

Joint inversion of the observed geoid and seismic velocities has been commonly used to constrain the viscosity profile within the mantle as well as the lateral density variations. Recent satellite measurements of the second-order derivatives of the Earth's gravity potential give new possibilities to understand these mantle properties. We use lateral density variations in the Earth's mantle based on slab history or deduced from seismic tomography. The main uncertainties are the relationship between seismic velocity and density -the so-called density/velocity scaling factor- and the variation with depth of the density contrast between the cold slabs and the surrounding mantle, introduced here as a scaling factor with respect to a constant value. The geoid, gravity and gravity gradients at the altitude of the GOCE satellite (about 255 km) are derived using geoid kernels for given viscosity depth profiles. We assume a layered mantle model with viscosity and conversion factor constant in each layer, and we fix the viscosity of the lithosphere. We perform a Monte Carlo search for the viscosity and the density/velocity scaling factor profiles within the mantle which allow to fit the observed geoid, gravity and gradients of gravity. We test a 2-layer, a 3-layer and 4-layer mantle. For each model, we compute the posterior probability distribution of the unknown parameters, and we discuss the respective contributions of the geoid, gravity and gravity gradients in the inversion. Finally, for the best fit, we present the viscosity and scaling factor profiles obtained for the lateral density variations derived from seismic velocities and for slabs sinking into the mantle.

A Geophysical Flow Experiment in a Compressible Critical Fluid

NASA Technical Reports Server (NTRS)

Hegseth, John; Garcia, Laudelino

1996-01-01

The first objective of this experiment is to build an experimental system in which, in analogy to a geophysical system, a compressible fluid in a spherical annulus becomes radially stratified in density through an A.C. electric field. When this density gradient is demonstrated, the system will be augmented so that the fluid can be driven by heating and rotation and tested in preparation for a microgravity experiment. This apparatus consists of a spherical capacitor filled with critical fluid in a temperature controlled environment. To make the fluid critical, the apparatus will be operated near the critical pressure, critical density, and critical temperature of the fluid. This will result in a highly compressible fluid because of the properties of the fluid near its critical point. A high voltage A.C. source applied across the capacitor will create a spherically symmetric central force because of the dielectric properties of the fluid in an electric field gradient. This central force will induce a spherically symmetric density gradient that is analogous to a geophysical fluid system. To generate such a density gradient the system must be small (approx. 1 inch diameter). This small cell will also be capable of driving the critical fluid by heating and rotation. Since a spherically symmetric density gradient can only be made in microgravity, another small cell, of the same geometry, will be built that uses incompressible fluid. The driving of the fluid by rotation and heating in these small cells will be developed. The resulting instabilities from the driving in these two systems will then be studied. The second objective is to study the pattern forming instabilities (bifurcations) resulting from the well controlled experimental conditions in the critical fluid cell. This experiment will come close to producing conditions that are geophysically similar and will be studied as the driving parameters are changed.

Simplified large African carnivore density estimators from track indices.

PubMed

Winterbach, Christiaan W; Ferreira, Sam M; Funston, Paul J; Somers, Michael J

2016-01-01

The range, population size and trend of large carnivores are important parameters to assess their status globally and to plan conservation strategies. One can use linear models to assess population size and trends of large carnivores from track-based surveys on suitable substrates. The conventional approach of a linear model with intercept may not intercept at zero, but may fit the data better than linear model through the origin. We assess whether a linear regression through the origin is more appropriate than a linear regression with intercept to model large African carnivore densities and track indices. We did simple linear regression with intercept analysis and simple linear regression through the origin and used the confidence interval for ß in the linear model y  =  αx  + ß, Standard Error of Estimate, Mean Squares Residual and Akaike Information Criteria to evaluate the models. The Lion on Clay and Low Density on Sand models with intercept were not significant ( P  > 0.05). The other four models with intercept and the six models thorough origin were all significant ( P  < 0.05). The models using linear regression with intercept all included zero in the confidence interval for ß and the null hypothesis that ß = 0 could not be rejected. All models showed that the linear model through the origin provided a better fit than the linear model with intercept, as indicated by the Standard Error of Estimate and Mean Square Residuals. Akaike Information Criteria showed that linear models through the origin were better and that none of the linear models with intercept had substantial support. Our results showed that linear regression through the origin is justified over the more typical linear regression with intercept for all models we tested. A general model can be used to estimate large carnivore densities from track densities across species and study areas. The formula observed track density = 3.26 × carnivore density can be used to estimate densities of large African carnivores using track counts on sandy substrates in areas where carnivore densities are 0.27 carnivores/100 km 2 or higher. To improve the current models, we need independent data to validate the models and data to test for non-linear relationship between track indices and true density at low densities.