Carrier Density at LaAlO3/SrTiO3 Interfaces: Evidence of Electronic Reconstruction.

NASA Astrophysics Data System (ADS)

Xi, Xiaoxing

The origin of the 2D electron gas at the LaAlO3/SrTiO3 interface has been a controversial subject ever since its discovery. A serious inconsistency with the most accepted mechanism, an electronic reconstruction in response to a polar discontinuity at the interface, is that the carrier densities reported experimentally are invariably lower than the expected value except under conditions where reduction of SrTiO3 substrate is suspected. We have grown LaAlO3 films of different stoichiometry on TiO2-terminated SrTiO3 substrates using atomic layer-by-layer laser molecular beam epitaxy (ALL-Laser MBE), in which La2O3 and Al2O3 targets were sequentially ablated in 37 mTorr oxygen. The high oxygen pressure during growth prevents the possible oxygen reduction in SrTiO3, ensures that the LaAlO3 films are sufficiently oxygenated, and suppresses the La-Sr intermixing due to the bombardment effect. X-ray linear dichroism (XLD) and x-ray magnetic circular dichroism (XMCD) measurements show characteristics of oxygenated samples. In the electronic reconstruction picture, instead of the charge transfer of half of an electron in the case of a sufficiently thick stoichiometric LaAlO3, a LaAlO3 film thickness dependence is expected as well as a linear dependence on stoichiometry. Our experimental results on carrier densities in 10 nm-thick LaAl1 +yO3(1 +0.5y) films agree quantitatively with the theoretical expectations, lending a strong support for the electronic reconstruction mechanism. This material is based upon work supported by the U.S. Department of Energy, Office of Science, under Grant No. DE-SC0004764.

A protocol for searching the most probable phase-retrieved maps in coherent X-ray diffraction imaging by exploiting the relationship between convergence of the retrieved phase and success of calculation.

PubMed

Sekiguchi, Yuki; Hashimoto, Saki; Kobayashi, Amane; Oroguchi, Tomotaka; Nakasako, Masayoshi

2017-09-01

Coherent X-ray diffraction imaging (CXDI) is a technique for visualizing the structures of non-crystalline particles with size in the submicrometer to micrometer range in material sciences and biology. In the structural analysis of CXDI, the electron density map of a specimen particle projected along the direction of the incident X-rays can be reconstructed only from the diffraction pattern by using phase-retrieval (PR) algorithms. However, in practice, the reconstruction, relying entirely on the computational procedure, sometimes fails because diffraction patterns miss the data in small-angle regions owing to the beam stop and saturation of the detector pixels, and are modified by Poisson noise in X-ray detection. To date, X-ray free-electron lasers have allowed us to collect a large number of diffraction patterns within a short period of time. Therefore, the reconstruction of correct electron density maps is the bottleneck for efficiently conducting structure analyses of non-crystalline particles. To automatically address the correctness of retrieved electron density maps, a data analysis protocol to extract the most probable electron density maps from a set of maps retrieved from 1000 different random seeds for a single diffraction pattern is proposed. Through monitoring the variations of the phase values during PR calculations, the tendency for the PR calculations to succeed when the retrieved phase sets converged on a certain value was found. On the other hand, if the phase set was in persistent variation, the PR calculation tended to fail to yield the correct electron density map. To quantify this tendency, here a figure of merit for the variation of the phase values during PR calculation is introduced. In addition, a PR protocol to evaluate the similarity between a map of the highest figure of merit and other independently reconstructed maps is proposed. The protocol is implemented and practically examined in the structure analyses for diffraction patterns from aggregates of gold colloidal particles. Furthermore, the feasibility of the protocol in the structure analysis of organelles from biological cells is examined.

Plasma stability analysis using Consistent Automatic Kinetic Equilibrium reconstruction (CAKE)

NASA Astrophysics Data System (ADS)

Roelofs, Matthijs; Kolemen, Egemen; Eldon, David; Glasser, Alex; Meneghini, Orso; Smith, Sterling P.

2017-10-01

Presented here is the Consistent Automatic Kinetic Equilibrium (CAKE) code. CAKE is being developed to perform real-time kinetic equilibrium reconstruction, aiming to do a reconstruction in less than 100ms. This is achieved by taking, next to real-time Motional Stark Effect (MSE) and magnetics data, real-time Thomson Scattering (TS) and real-time Charge Exchange Recombination (CER, still in development) data in to account. Electron densities and temperature are determined by TS, while ion density and pressures are determined using CER. These form, together with the temperature and density of neutrals, the additional pressure constraints. Extra current constraints are imposed in the core by the MSE diagnostics. The pedestal current density is estimated using Sauters equation for the bootstrap current density. By comparing the behaviour of the ideal MHD perturbed potential energy (δW) and the linear stability index (Δ') of CAKE to magnetics-only reconstruction, it can be seen that the use of diagnostics to reconstruct the pedestal have a large effect on stability. Supported by U.S. DOE DE-SC0015878 and DE-FC02-04ER54698.

Analysis of rocket beacon transmissions for computerized reconstruction of ionospheric densities

NASA Technical Reports Server (NTRS)

Bernhardt, P. A.; Huba, J. D.; Chaturvedi, P. K.; Fulford, J. A.; Forsyth, P. A.; Anderson, D. N.; Zalesak, S. T.

1993-01-01

Three methods are described to obtain ionospheric electron densities from transionospheric, rocket-beacon TEC data. First, when the line-of-sight from a ground receiver to the rocket beacon is tangent to the flight trajectory, the electron concentration can be obtained by differentiating the TEC with respect to the distance to the rocket. A similar method may be used to obtain the electron-density profile if the layer is horizontally stratified. Second, TEC data obtained during chemical release experiments may be interpreted with the aid of physical models of the disturbed ionosphere to yield spatial maps of the modified regions. Third, computerized tomography (CT) can be used to analyze TEC data obtained along a chain of ground-based receivers aligned along the plane of the rocket trajectory. CT analysis of TEC data is used to reconstruct a 2D image of a simulated equatorial plume. TEC data is computed for a linear chain of nine receivers with adjacent spacings of either 100 or 200 km. The simulation data are analyzed to provide an F region reconstruction on a grid with 15 x 15 km pixels. Ionospheric rocket tomography may also be applied to rocket-assisted measurements of amplitude and phase scintillations and airglow intensities.

Erosion and refilling of the plasmasphere during a geomagnetic storm modeled by a neural network

NASA Astrophysics Data System (ADS)

Chu, X. N.; Bortnik, J.; Li, W.; Ma, Q.; Angelopoulos, V.; Thorne, R. M.

2017-07-01

We present a history-dependent model of the equatorial plasma density of the inner magnetosphere using a feedforward neural network with two hidden layers. As the model inputs, we take locations and time series of SYM-H, AL, and F10.7 indices. By considering not only the instantaneous values but also the past values of geomagnetic and solar indices, the model is history dependent on levels of geomagnetic and solar activity. The modeled electron density is continuous both spatially and temporally so that the evolution of the density can be studied (such as plasmaspheric refilling). The model is trained using the electron density inferred from the spacecraft potential from three THEMIS probes. The equatorial electron density is shown to be accurately reconstructed with a correlation coefficient of r 0.953 between data and model target. Since the model is history dependent, it succeeds in reconstructing various density features and dynamic behaviors, such as the quiet time plasmasphere, erosion and recovery of the plasmasphere, as well as the plume formation during a storm on 4 February 2011. Our model may provide unprecedented insight into the behavior of the equatorial density at any time and location; as an example we show the inferred refilling rate from our model and compare it to previous estimates.

Atomic and electronic structure of the CdTe(111)B–(2√3 × 4) orthogonal surface

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

Bekenev, V. L., E-mail: bekenev@ipms.kiev.ua; Zubkova, S. M.

2017-01-15

The atomic and electronic structure of four variants of Te-terminated CdTe(111)B–(2√3 × 4) orthogonal polar surface (ideal, relaxed, reconstructed, and reconstructed with subsequent relaxation) are calculated ab initio for the first time. The surface is modeled by a film composed of 12 atomic layers with a vacuum gap of ~16 Å in the layered superlattice approximation. To close Cd dangling bonds on the opposite side of the film, 24 fictitious hydrogen atoms with a charge of 1.5 electrons each are added. Ab initio calculations are performed using the Quantum Espresso program based on density functional theory. It is demonstrated thatmore » relaxation leads to splitting of the four upper layers. The band energy structures and total and layer-by-layer densities of electronic states for the four surface variants are calculated and analyzed.« less

Shape information from a critical point analysis of calculated electron density maps: application to DNA-drug systems

NASA Astrophysics Data System (ADS)

Leherte, L.; Allen, F. H.; Vercauteren, D. P.

1995-04-01

A computational method is described for mapping the volume within the DNA double helix accessible to a groove-binding antibiotic, netropsin. Topological critical point analysis is used to locate maxima in electron density maps reconstructed from crystallographically determined atomic coordinates. The peaks obtained in this way are represented as ellipsoids with axes related to local curvature of the electron density function. Combining the ellipsoids produces a single electron density function which can be probed to estimate effective volumes of the interacting species. Close complementarity between host and ligand in this example shows the method to be a good representation of the electron density function at various resolutions; while at the atomic level the ellipsoid method gives results which are in close agreement with those from the conventional, spherical, van der Waals approach.

Shape information from a critical point analysis of calculated electron density maps: Application to DNA-drug systems

NASA Astrophysics Data System (ADS)

Leherte, Laurence; Allen, Frank H.

1994-06-01

A computational method is described for mapping the volume within the DNA double helix accessible to the groove-binding antibiotic netropsin. Topological critical point analysis is used to locate maxima in electron density maps reconstructed from crystallographically determined atomic coordinates. The peaks obtained in this way are represented as ellipsoids with axes related to local curvature of the electron density function. Combining the ellipsoids produces a single electron density function which can be probed to estimate effective volumes of the interacting species. Close complementarity between host and ligand in this example shows the method to give a good representation of the electron density function at various resolutions. At the atomic level, the ellipsoid method gives results which are in close agreement with those from the conventional spherical van der Waals approach.

Modern Possibilities for Calculating Some Properties of Molecules and Crystals from the Experimental Electron Density

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

Stash, A.I.; Tsirelson, V.G.

2005-03-01

Methods for calculating some properties of molecules and crystals from the electron density reconstructed from a precise X-ray diffraction experiment using the multipole model are considered. These properties include, on the one hand, the characteristics of the electron density and the inner-crystal electrostatic field and, on the other hand, the local electronic energies (kinetic, potential, total), the exchange energy density, the electron-pair localization function, the localized-orbital locator, the effective crystal potential, and others. It is shown that the integration of these characteristics over pseudoatomic volumes bounded by the surfaces of the zero flux of the electron density gradient makes itmore » possible to characterize directly from an experiment the properties of molecules and crystals in terms of the atomic contributions. The computer program WinXPRO2004, realizing these possibilities, is briefly described.« less

Measurement of a density profile of a hot-electron plasma in RT-1 with three-chord interferometry

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

Saitoh, H.; Yano, Y.; Yoshida, Z.

2015-02-15

The electron density profile of a plasma in a magnetospheric dipole field configuration was measured with a multi-chord interferometry including a relativistic correction. In order to improve the accuracy of density reconstruction, a 75 GHz interferometer was installed at a vertical chord of the Ring Trap 1 (RT-1) device in addition to previously installed ones at tangential and another vertical chords. The density profile was calculated by using the data of three-chord interferometry including relativistic effects for a plasma consisting of hot and cold electrons generated by electron cyclotron resonance heating (ECH). The results clearly showed the effects of density peakingmore » and magnetic mirror trapping in a strongly inhomogeneous dipole magnetic field.« less

Measuring the Autocorrelation Function of Nanoscale Three-Dimensional Density Distribution in Individual Cells Using Scanning Transmission Electron Microscopy, Atomic Force Microscopy, and a New Deconvolution Algorithm.

PubMed

Li, Yue; Zhang, Di; Capoglu, Ilker; Hujsak, Karl A; Damania, Dhwanil; Cherkezyan, Lusik; Roth, Eric; Bleher, Reiner; Wu, Jinsong S; Subramanian, Hariharan; Dravid, Vinayak P; Backman, Vadim

2017-06-01

Essentially all biological processes are highly dependent on the nanoscale architecture of the cellular components where these processes take place. Statistical measures, such as the autocorrelation function (ACF) of the three-dimensional (3D) mass-density distribution, are widely used to characterize cellular nanostructure. However, conventional methods of reconstruction of the deterministic 3D mass-density distribution, from which these statistical measures can be calculated, have been inadequate for thick biological structures, such as whole cells, due to the conflict between the need for nanoscale resolution and its inverse relationship with thickness after conventional tomographic reconstruction. To tackle the problem, we have developed a robust method to calculate the ACF of the 3D mass-density distribution without tomography. Assuming the biological mass distribution is isotropic, our method allows for accurate statistical characterization of the 3D mass-density distribution by ACF with two data sets: a single projection image by scanning transmission electron microscopy and a thickness map by atomic force microscopy. Here we present validation of the ACF reconstruction algorithm, as well as its application to calculate the statistics of the 3D distribution of mass-density in a region containing the nucleus of an entire mammalian cell. This method may provide important insights into architectural changes that accompany cellular processes.

Measuring the Autocorrelation Function of Nanoscale Three-Dimensional Density Distribution in Individual Cells Using Scanning Transmission Electron Microscopy, Atomic Force Microscopy, and a New Deconvolution Algorithm

PubMed Central

Li, Yue; Zhang, Di; Capoglu, Ilker; Hujsak, Karl A.; Damania, Dhwanil; Cherkezyan, Lusik; Roth, Eric; Bleher, Reiner; Wu, Jinsong S.; Subramanian, Hariharan; Dravid, Vinayak P.; Backman, Vadim

2018-01-01

Essentially all biological processes are highly dependent on the nanoscale architecture of the cellular components where these processes take place. Statistical measures, such as the autocorrelation function (ACF) of the three-dimensional (3D) mass–density distribution, are widely used to characterize cellular nanostructure. However, conventional methods of reconstruction of the deterministic 3D mass–density distribution, from which these statistical measures can be calculated, have been inadequate for thick biological structures, such as whole cells, due to the conflict between the need for nanoscale resolution and its inverse relationship with thickness after conventional tomographic reconstruction. To tackle the problem, we have developed a robust method to calculate the ACF of the 3D mass–density distribution without tomography. Assuming the biological mass distribution is isotropic, our method allows for accurate statistical characterization of the 3D mass–density distribution by ACF with two data sets: a single projection image by scanning transmission electron microscopy and a thickness map by atomic force microscopy. Here we present validation of the ACF reconstruction algorithm, as well as its application to calculate the statistics of the 3D distribution of mass–density in a region containing the nucleus of an entire mammalian cell. This method may provide important insights into architectural changes that accompany cellular processes. PMID:28416035

Atomically precise lateral modulation of a two-dimensional electron liquid in anatase TiO 2 thin films

DOE PAGES

Wang, Zhiming; Zhong, Z.; Walker, S. McKeown; ...

2017-03-10

Engineering the electronic band structure of two-dimensional electron liquids (2DELs) confined at the surface or interface of transition metal oxides is key to unlocking their full potential. Here we describe a new approach to tailoring the electronic structure of an oxide surface 2DEL demonstrating the lateral modulation of electronic states with atomic scale precision on an unprecedented length scale comparable to the Fermi wavelength. To this end, we use pulsed laser deposition to grow anatase TiO 2 films terminated by a (1 x 4) in-plane surface reconstruction. Employing photo-stimulated chemical surface doping we induce 2DELs with tunable carrier densities thatmore » are confined within a few TiO 2 layers below the surface. Subsequent in situ angle resolved photoemission experiments demonstrate that the (1 x 4) surface reconstruction provides a periodic lateral perturbation of the electron liquid. Furthermore, this causes strong backfolding of the electronic bands, opening of unidirectional gaps and a saddle point singularity in the density of states near the chemical potential.« less

Dark-field phase retrieval under the constraint of the Friedel symmetry in coherent X-ray diffraction imaging.

PubMed

Kobayashi, Amane; Sekiguchi, Yuki; Takayama, Yuki; Oroguchi, Tomotaka; Nakasako, Masayoshi

2014-11-17

Coherent X-ray diffraction imaging (CXDI) is a lensless imaging technique that is suitable for visualizing the structures of non-crystalline particles with micrometer to sub-micrometer dimensions from material science and biology. One of the difficulties inherent to CXDI structural analyses is the reconstruction of electron density maps of specimen particles from diffraction patterns because saturated detector pixels and a beam stopper result in missing data in small-angle regions. To overcome this difficulty, the dark-field phase-retrieval (DFPR) method has been proposed. The DFPR method reconstructs electron density maps from diffraction data, which are modified by multiplying Gaussian masks with an observed diffraction pattern in the high-angle regions. In this paper, we incorporated Friedel centrosymmetry for diffraction patterns into the DFPR method to provide a constraint for the phase-retrieval calculation. A set of model simulations demonstrated that this constraint dramatically improved the probability of reconstructing correct electron density maps from diffraction patterns that were missing data in the small-angle region. In addition, the DFPR method with the constraint was applied successfully to experimentally obtained diffraction patterns with significant quantities of missing data. We also discuss this method's limitations with respect to the level of Poisson noise in X-ray detection.

TEC data ingestion into IRI and NeQuick over the antarctic region

NASA Astrophysics Data System (ADS)

Nava, Bruno; Pezzopane, Michael; Radicella, Sandro M.; Scotto, Carlo; Pietrella, Marco; Migoya Orue, Yenca; Alazo Cuartas, Katy; Kashcheyev, Anton

2016-07-01

In the present work a comparative analysis to evaluate the IRI and NeQuick 2 models capabilities in reproducing the ionospheric behaviour over the Antarctic Region has been performed. A technique to adapt the two models to GNSS-derived vertical Total Electron Content (TEC) has been therefore implemented to retrieve the 3-D ionosphere electron density at specific locations where ionosonde data were available. In particular, the electron density profiles used in this study have been provided in the framework of the AUSPICIO (AUtomatic Scaling of Polar Ionograms and Cooperative Ionospheric Observations) project applying the Adaptive Ionospheric Profiler (AIP) to ionograms recorded at eight selected mid, high-latitude and polar ionosondes. The relevant GNSS-derived vertical TEC values have been obtained from the Global Ionosphere Maps (GIM) produced by the Center for Orbit Determination in Europe (CODE). The effectiveness of the IRI and NeQuick 2 in reconstructing the ionosphere electron density at the given locations and epochs has been primarily assessed in terms of statistical comparison between experimental and model-retrieved peak parameters values (foF2 and hmF2). The analysis results indicate that in general the models are equivalent in their ability to reproduce the critical frequency of the F2 layer and they also tend to overestimate the height of the peak electron density, especially during high solar activity periods. Nevertheless this tendency is more noticeable in NeQuick 2 than in IRI. For completeness, the statistics indicating the models bottomside reconstruction capabilities, computed as height integrated electron density profile mismodeling, will also be discussed.

Validation of Spherically Symmetric Inversion by Use of a Tomographically Reconstructed Three-Dimensional Electron Density of the Solar Corona

NASA Technical Reports Server (NTRS)

Wang, Tongjiang; Davila, Joseph M.

2014-01-01

Determining the coronal electron density by the inversion of white-light polarized brightness (pB) measurements by coronagraphs is a classic problem in solar physics. An inversion technique based on the spherically symmetric geometry (spherically symmetric inversion, SSI) was developed in the 1950s and has been widely applied to interpret various observations. However, to date there is no study of the uncertainty estimation of this method. We here present the detailed assessment of this method using a three-dimensional (3D) electron density in the corona from 1.5 to 4 solar radius as a model, which is reconstructed by a tomography method from STEREO/COR1 observations during the solar minimum in February 2008 (Carrington Rotation, CR 2066).We first show in theory and observation that the spherically symmetric polynomial approximation (SSPA) method and the Van de Hulst inversion technique are equivalent. Then we assess the SSPA method using synthesized pB images from the 3D density model, and find that the SSPA density values are close to the model inputs for the streamer core near the plane of the sky (POS) with differences generally smaller than about a factor of two; the former has the lower peak but extends more in both longitudinal and latitudinal directions than the latter. We estimate that the SSPA method may resolve the coronal density structure near the POS with angular resolution in longitude of about 50 deg. Our results confirm the suggestion that the SSI method is applicable to the solar minimum streamer (belt), as stated in some previous studies. In addition, we demonstrate that the SSPA method can be used to reconstruct the 3D coronal density, roughly in agreement with the reconstruction by tomography for a period of low solar activity (CR 2066). We suggest that the SSI method is complementary to the 3D tomographic technique in some cases, given that the development of the latter is still an ongoing research effort.

TU-F-18A-06: Dual Energy CT Using One Full Scan and a Second Scan with Very Few Projections

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

Wang, T; Zhu, L

Purpose: The conventional dual energy CT (DECT) requires two full CT scans at different energy levels, resulting in dose increase as well as imaging errors from patient motion between the two scans. To shorten the scan time of DECT and thus overcome these drawbacks, we propose a new DECT algorithm using one full scan and a second scan with very few projections by preserving structural information. Methods: We first reconstruct a CT image on the full scan using a standard filtered-backprojection (FBP) algorithm. We then use a compressed sensing (CS) based iterative algorithm on the second scan for reconstruction frommore » very few projections. The edges extracted from the first scan are used as weights in the Objectives: function of the CS-based reconstruction to substantially improve the image quality of CT reconstruction. The basis material images are then obtained by an iterative image-domain decomposition method and an electron density map is finally calculated. The proposed method is evaluated on phantoms. Results: On the Catphan 600 phantom, the CT reconstruction mean error using the proposed method on 20 and 5 projections are 4.76% and 5.02%, respectively. Compared with conventional iterative reconstruction, the proposed edge weighting preserves object structures and achieves a better spatial resolution. With basis materials of Iodine and Teflon, our method on 20 projections obtains similar quality of decomposed material images compared with FBP on a full scan and the mean error of electron density in the selected regions of interest is 0.29%. Conclusion: We propose an effective method for reducing projections and therefore scan time in DECT. We show that a full scan plus a 20-projection scan are sufficient to provide DECT images and electron density with similar quality compared with two full scans. Our future work includes more phantom studies to validate the performance of our method.« less

2D electron density profile measurement in tokamak by laser-accelerated ion-beam probe.

PubMed

Chen, Y H; Yang, X Y; Lin, C; Wang, L; Xu, M; Wang, X G; Xiao, C J

2014-11-01

A new concept of Heavy Ion Beam Probe (HIBP) diagnostic has been proposed, of which the key is to replace the electrostatic accelerator of traditional HIBP by a laser-driven ion accelerator. Due to the large energy spread of ions, the laser-accelerated HIBP can measure the two-dimensional (2D) electron density profile of tokamak plasma. In a preliminary simulation, a 2D density profile was reconstructed with a spatial resolution of about 2 cm, and with the error below 15% in the core region. Diagnostics of 2D density fluctuation is also discussed.

Qualification and implementation of line ratio spectroscopy on helium as plasma edge diagnostic at ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Griener, M.; Muñoz Burgos, J. M.; Cavedon, M.; Birkenmeier, G.; Dux, R.; Kurzan, B.; Schmitz, O.; Sieglin, B.; Stroth, U.; Viezzer, E.; Wolfrum, E.; the ASDEX Upgrade Team

2018-02-01

A new thermal helium beam diagnostic has been implemented as plasma edge diagnostic at the ASDEX Upgrade (AUG) tokamak. The helium beam is built to measure the electron density n e and temperature T e simultaneously with high spatial and temporal resolution in order to investigate steady-state as well as fast transport processes in the plasma edge region. For the thermal helium beam emission line ratio spectroscopy, neutral helium is locally injected into the plasma by a piezo valve. This enabled the measurement of the line resolved emission intensities of seven He I lines for different plasma scenarios in AUG. The different line ratios can be used together with a collisional-radiative model (CRM) to reconstruct the underlying electron temperature and density. Ratios from the same spin species are used for the electron density reconstruction, whereas spin mixed ratios are sensitive to electron temperature changes. The different line ratios as well as different CRMs are tested for their suitability for diagnostic applications. Furthermore their consistency in calculating identical parameters is validated and the resulting profiles are compared to other available diagnostics at AUG.

Reply to “Comment on ‘Magnetotransport signatures of a single nodal electron pocket constructed from Fermi arcs' ”

DOE PAGES

Harrison, N.; Sebastian, S. E.

2017-10-12

In this paper, we provide arguments relating to those recently made in a comment by Chakravarty and Wang, who question the validity of our proposed charge-density wave Fermi surface reconstruction model and its relation to sign changes in the Hall effect. First, we show that the form of rounding of the vertices (i.e. sharp corners) of the reconstructed electron pocket, as used in our model calculations of the Hall coefficient, is consistent with Bragg reflection from the periodic potential of a charge-density wave, rather than being arbitrarily chosen. Second, we provide further justifications for why an oscillatory transport scattering timemore » provides a useful means for modeling Shubnikov–de Haas oscillations in the Hall effect, in the situation where a Fermi surface pocket departs from the ideal circular form. Third and finally, we discuss recent experimental evidence gathered from two different families of underdoped cuprates supporting the existence of a single electron pocket produced by biaxial charge-density wave order as a universal phenomena.« less

Sodankylä ionospheric tomography dataset 2003-2014

NASA Astrophysics Data System (ADS)

Norberg, J.; Roininen, L.; Kero, A.; Raita, T.; Ulich, T.; Markkanen, M.; Juusola, L.; Kauristie, K.

2015-12-01

Sodankylä Geophysical Observatory has been operating a tomographic receiver network and collecting the produced data since 2003. The collected dataset consists of phase difference curves measured from Russian COSMOS dual-frequency (150/400 MHz) low-Earth-orbit satellite signals, and tomographic electron density reconstructions obtained from these measurements. In this study vertical total electron content (VTEC) values are integrated from the reconstructed electron densities to make a qualitative and quantitative analysis to validate the long-term performance of the tomographic system. During the observation period, 2003-2014, there were three-to-five operational stations at the Fenno-Scandinavian sector. Altogether the analysis consists of around 66 000 overflights, but to ensure the quality of the reconstructions, the examination is limited to cases with descending (north to south) overflights and maximum elevation over 60°. These constraints limit the number of overflights to around 10 000. Based on this dataset, one solar cycle of ionospheric vertical total electron content estimates is constructed. The measurements are compared against International Reference Ionosphere IRI-2012 model, F10.7 solar flux index and sunspot number data. Qualitatively the tomographic VTEC estimate corresponds to reference data very well, but the IRI-2012 model are on average 40 % higher of that of the tomographic results.

Three-dimensional ionospheric tomography reconstruction using the model function approach in Tikhonov regularization

NASA Astrophysics Data System (ADS)

Wang, Sicheng; Huang, Sixun; Xiang, Jie; Fang, Hanxian; Feng, Jian; Wang, Yu

2016-12-01

Ionospheric tomography is based on the observed slant total electron content (sTEC) along different satellite-receiver rays to reconstruct the three-dimensional electron density distributions. Due to incomplete measurements provided by the satellite-receiver geometry, it is a typical ill-posed problem, and how to overcome the ill-posedness is still a crucial content of research. In this paper, Tikhonov regularization method is used and the model function approach is applied to determine the optimal regularization parameter. This algorithm not only balances the weights between sTEC observations and background electron density field but also converges globally and rapidly. The background error covariance is given by multiplying background model variance and location-dependent spatial correlation, and the correlation model is developed by using sample statistics from an ensemble of the International Reference Ionosphere 2012 (IRI2012) model outputs. The Global Navigation Satellite System (GNSS) observations in China are used to present the reconstruction results, and measurements from two ionosondes are used to make independent validations. Both the test cases using artificial sTEC observations and actual GNSS sTEC measurements show that the regularization method can effectively improve the background model outputs.

Digital holographic interferometry employing Fresnel transform reconstruction for the study of flow shear stabilized Z-pinch plasmas.

PubMed

Ross, M P; Shumlak, U

2016-10-01

The ZaP-HD flow Z-pinch project provides a platform to explore how shear flow stabilized Z-pinches could scale to high-energy-density plasma (plasma with pressures exceeding 1 Mbar) and fusion reactor conditions. The Z-pinch is a linear plasma confinement geometry in which the plasma carries axial electric current and is confined by its self-induced magnetic field. ZaP-HD generates shear stabilized, axisymmetric Z-pinches with stable lifetimes approaching 60 μs. The goal of the project is to increase the plasma density and temperature compared to the previous ZaP project by compressing the plasma to smaller radii (≈1 mm). Radial and axial plasma electron density structure is measured using digital holographic interferometry (DHI), which provides the necessary fine spatial resolution. ZaP-HD's DHI system uses a 2 ns Nd:YAG laser pulse with a second harmonic generator (λ = 532 nm) to produce holograms recorded by a Nikon D3200 digital camera. The holograms are numerically reconstructed with the Fresnel transform reconstruction method to obtain the phase shift caused by the interaction of the laser beam with the plasma. This provides a two-dimensional map of line-integrated electron density, which can be Abel inverted to determine the local number density. The DHI resolves line-integrated densities down to 3 × 10 20 m -2 with spatial resolution near 10 μm. This paper presents the first application of Fresnel transform reconstruction as an analysis technique for a plasma diagnostic, and it analyzes the method's accuracy through study of synthetic data. It then presents an Abel inversion procedure that utilizes data on both sides of a Z-pinch local number density profile to maximize profile symmetry. Error estimation and Abel inversion are applied to the measured data.

Application of a real-space three-dimensional image reconstruction method in the structural analysis of noncrystalline biological macromolecules enveloped by water in coherent x-ray diffraction microscopy.

PubMed

Kodama, Wataru; Nakasako, Masayoshi

2011-08-01

Coherent x-ray diffraction microscopy is a novel technique in the structural analyses of particles that are difficult to crystallize, such as the biological particles composing living cells. As water is indispensable for maintaining particles in functional structures, sufficient hydration of targeted particles is required during sample preparation for diffraction microscopy experiments. However, the water enveloping particles also contributes significantly to the diffraction patterns and reduces the electron-density contrast of the sample particles. In this study, we propose a protocol for the structural analyses of particles in water by applying a three-dimensional reconstruction method in real space for the projection images phase-retrieved from diffraction patterns, together with a developed density modification technique. We examined the feasibility of the protocol through three simulations involving a protein molecule in a vacuum, and enveloped in either a droplet or a cube-shaped water. The simulations were carried out for the diffraction patterns in the reciprocal planes normal to the incident x-ray beam. This assumption and the simulation conditions corresponded to experiments using x-ray wavelengths of shorter than 0.03 Å. The analyses demonstrated that our protocol provided an interpretable electron-density map. Based on the results, we discuss the advantages and limitations of the proposed protocol and its practical application for experimental data. In particular, we examined the influence of Poisson noise in diffraction patterns on the reconstructed three-dimensional electron density in the proposed protocol.

Dynamics of the Trapped Electron Phase Space Density in Relation to the Wave Activity in the Inner Magnetosphere

NASA Astrophysics Data System (ADS)

Vassiliadis, D.; Green, J.

2008-05-01

The phase space density fe of the radiation belt electron population is reconstructed based on measurements made by POLAR/HIST. The density peaks in invariant space (mu, K, L*) are shown to be responding to changes in the solar wind velocity and density, and the interplanetary magnetic field. We have associated specific types of storms with the appearance of peaks thereby producing a climatology of fe. We will report on comparing the phase space density changes during these storms to the ULF wave power in the inner magnetosphere remote- sensed by the IMAGE magnetometer array and related properties of the wave environment.

Radio-Tomographic Images of Post-midnight Equatorial Plasma Depletions

NASA Astrophysics Data System (ADS)

Hei, M. A.; Bernhardt, P. A.; Siefring, C. L.; Wilkens, M.; Huba, J. D.; Krall, J.; Valladares, C. E.; Heelis, R. A.; Hairston, M. R.; Coley, W. R.; Chau, J. L.

2013-12-01

For the first time, post-midnight equatorial plasma depletions (EPDs) have been imaged in the longitude-altitude plane using radio-tomography. High-resolution (~10 km × 10 km) electron-density reconstructions were created from total electron content (TEC) data using an array of receivers sited in Peru and the Multiplicative Algebraic Reconstruction Technique (MART) inversion algorithm. TEC data were obtained from the 150 and 400 MHz signals transmitted by the CERTO beacon on the C/NOFS satellite. In-situ electron density data from the C/NOFS CINDI instrument and electron density profiles from the UML Jicamarca ionosonde were used to generate an initial guess for the MART inversion, and also to constrain the inversion process. Observed EPDs had widths of 100-1000 km, spacings of 300-900 km, and often appeared 'pinched off' at the bottom. Well-developed EPDs appeared on an evening with a very small (4 m/s) Pre-Reversal-Enhancement (PRE), suggesting that postmidnight enhancements of the vertical plasma drift and/or seeding-induced uplifts (e.g. gravity waves) were responsible for driving the Rayleigh-Taylor Instability into the nonlinear regime on this night. On another night the Jicamarca ISR recorded postmidnight (~0230 LT) Eastward electric fields nearly twice as strong as the PRE fields seven hours earlier. These electric fields lifted the whole ionosphere, including embedded EPDs, over a longitude range ~14° wide. CINDI detected a dawn depletion in exactly the area where the reconstruction showed an uplifted EPD. Strong Equatorial Spread-F observed by the Jicamarca ionosonde during receiver observation times confirmed the presence of ionospheric irregularities.

First results from the ionospheric tomography experiment using beacon TEC data obtained by means of a network along a longitude of 136°E over Japan

NASA Astrophysics Data System (ADS)

Thampi, Smitha V.; Yamamoto, Mamoru

2010-03-01

A chain of newly designed GNU (GNU is not UNIX) Radio Beacon Receivers (GRBR) has recently been established over Japan, primarily for tomographic imaging of the ionosphere over this region. Receivers installed at Shionomisaki (33.45°N, 135.8°E), Shigaraki (34.8°N, 136.1°E), and Fukui (36°N, 136°E) continuously track low earth orbiting satellites (LEOS), mainly OSCAR, Cosmos, and FORMOSAT-3/COSMIC, to obtain simultaneous total electron content (TEC) data from these three locations, which are then used for the tomographic reconstruction of ionospheric electron densities. This is the first GRBR network established for TEC observations, and the first beacon-based tomographic imaging in Japanese longitudes. The first tomographic images revealed the temporal evolution with all of the major features in the ionospheric electron density distribution over Japan. A comparison of the tomographically reconstructed electron densities with the ƒ o F 2 data from Kokubunji (35°N, 139°E) revealed that there was good agreement between the datasets. These first results show the potential of GRBR and its network for making continuous, unattended ionospheric TEC measurements and for tomographic imaging of the ionosphere.

3-dimensional electron microscopic imaging of the zebrafish olfactory bulb and dense reconstruction of neurons.

PubMed

Wanner, Adrian A; Genoud, Christel; Friedrich, Rainer W

2016-11-08

Large-scale reconstructions of neuronal populations are critical for structural analyses of neuronal cell types and circuits. Dense reconstructions of neurons from image data require ultrastructural resolution throughout large volumes, which can be achieved by automated volumetric electron microscopy (EM) techniques. We used serial block face scanning EM (SBEM) and conductive sample embedding to acquire an image stack from an olfactory bulb (OB) of a zebrafish larva at a voxel resolution of 9.25×9.25×25 nm 3 . Skeletons of 1,022 neurons, 98% of all neurons in the OB, were reconstructed by manual tracing and efficient error correction procedures. An ergonomic software package, PyKNOSSOS, was created in Python for data browsing, neuron tracing, synapse annotation, and visualization. The reconstructions allow for detailed analyses of morphology, projections and subcellular features of different neuron types. The high density of reconstructions enables geometrical and topological analyses of the OB circuitry. Image data can be accessed and viewed through the neurodata web services (http://www.neurodata.io). Raw data and reconstructions can be visualized in PyKNOSSOS.

3-dimensional electron microscopic imaging of the zebrafish olfactory bulb and dense reconstruction of neurons

PubMed Central

Wanner, Adrian A.; Genoud, Christel; Friedrich, Rainer W.

2016-01-01

Large-scale reconstructions of neuronal populations are critical for structural analyses of neuronal cell types and circuits. Dense reconstructions of neurons from image data require ultrastructural resolution throughout large volumes, which can be achieved by automated volumetric electron microscopy (EM) techniques. We used serial block face scanning EM (SBEM) and conductive sample embedding to acquire an image stack from an olfactory bulb (OB) of a zebrafish larva at a voxel resolution of 9.25×9.25×25 nm3. Skeletons of 1,022 neurons, 98% of all neurons in the OB, were reconstructed by manual tracing and efficient error correction procedures. An ergonomic software package, PyKNOSSOS, was created in Python for data browsing, neuron tracing, synapse annotation, and visualization. The reconstructions allow for detailed analyses of morphology, projections and subcellular features of different neuron types. The high density of reconstructions enables geometrical and topological analyses of the OB circuitry. Image data can be accessed and viewed through the neurodata web services (http://www.neurodata.io). Raw data and reconstructions can be visualized in PyKNOSSOS. PMID:27824337

Application of time–frequency wavelet analysis in the reflectometry of thin films

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

Astaf’ev, S. B., E-mail: bard@crys.ras.ru; Shchedrin, B. M.; Yanusova, L. G.

2017-03-15

The application of time–frequency wavelet analysis for solving the reflectometry inverse problem is considered. It is shown that a simultaneous transform of specular intensity curve, depending on the grazing angle and spatial frequency, allows one to determine not only the thickness but also the alteration order of individual regions (layers) with characteristic behavior of electron density. This information makes it possible to reconstruct the electron density profile in the film cross section as a whole (i.e., to solve the inverse reflectometry problem). The application of the time–frequency transform is illustrated by examples of reconstructing (based on X-ray reflectivity data) themore » layer alternation order in models of two-layer films with inverted arrangement of layers and a four-layer film on a solid substrate.« less

Interstitial copper defect induced reconstruction of a new ;CuO4; quadrilateral in CaCu3Ti4O12: A first-principles study

NASA Astrophysics Data System (ADS)

Xiao, Haibo; Xu, Linfang; Wang, Ruilong; Yang, Changping

2017-09-01

The geometric structure, electronic structure and formation energy of CaCu3Ti4O12 (CCTO) with interstitial copper atom have been studied using the density-functional method within the GGA approximation. Result of structural optimization shows that the interstitial Cu-atom (Cu7) prefers to occupy a special location which is symmetrical with an intrinsic copper atom (Cu13) deviated from the normal site. The mulliken analysis indicates the loss of electrons from interstitial atom (Cu7) and Cu13 are only half more of the losing in other copper atom, which reveals a characteristics of covalent bonding between Cu7/Cu13 and surrounding oxygen atoms respectively. Meanwhile, it is found from electron density difference (EDD) and orbital analysis that the introduction of interstitial Cu atom causes prominent structural reconstruction of a new ;CuO4; quadrilateral. Moreover, the new ;CuO4; planar leads to a corresponding electronic reconstruction in the hybridization between Cu7/Cu13 3d and O 2p at the vicinity of fermi surface, for which a new conductive filament channel comes into being. Besides, the formation energies of the interstitial defects in various charge states are corrected with the value of 2.18, -4.17 and -9.46 eV for charge of 0, 1+ and 2+, respectively.

SU-E-J-17: Evaluation of Metal Artifact Reduction in MVCTs Using a Model Based Image Reconstruction Method.

PubMed

Paudel, M; MacKenzie, M; Fallone, B; Rathee, S

2012-06-01

To evaluate the performance of a model based image reconstruction in reducing metal artifacts in MVCT systems, and to compare with filtered-back projection (FBP) technique. Iterative maximum likelihood polychromatic algorithm for CT (IMPACT) is used with pair/triplet production process and the energy dependent response of detectors. The beam spectra for in-house bench-top and TomotherapyTM MVCT are modelled for use in IMPACT. The energy dependent gain of detectors is calculated using a constrained optimization technique and measured attenuation produced by 0 - 24 cm thick solid water slabs. A cylindrical (19 cm diameter) plexiglass phantom containing various central cylindrical inserts (relative electron density of 0.28-1.69) between two steel rods (2 cm diameter) is scanned in the bench-top [the bremsstrahlung radiation from 6 MeV electron beam passed through 4 cm solid water on the Varian Clinac 2300C] and TomotherapyTM MVCTs. The FBP reconstructs images from raw signal normalised to air scan and corrected for beam hardening using a uniform plexi-glass cylinder (20 cm diameter). IMPACT starts with FBP reconstructed seed image and reconstructs final image at 1.25 MeV in 150 iterations. FBP produces a visible dark shading in the image between two steel rods that becomes darker with higher density central insert causing 5-8 % underestimation of electron density compared to the case without the steel rods. In the IMPACT image the dark shading connecting the steel rods is nearly removed and the uniform background restored. The average attenuation coefficients of the inserts and the background are very close to the corresponding theoretical values at 1.25 MeV. The dark shading metal artifact due to beam hardening can be removed in MVCT using the iterative reconstruction algorithm such as IMPACT. However, the accurate modelling of detectors' energy dependent response and physical processes are crucial for successful implementation. Funding support for the research is obtained from "Vanier Canada Graduate Scholarship" and "Canadian Institute of Health Research". © 2012 American Association of Physicists in Medicine.

Electrostatic Interactions in Aminoglycoside-RNA Complexes

PubMed Central

Kulik, Marta; Goral, Anna M.; Jasiński, Maciej; Dominiak, Paulina M.; Trylska, Joanna

2015-01-01

Electrostatic interactions often play key roles in the recognition of small molecules by nucleic acids. An example is aminoglycoside antibiotics, which by binding to ribosomal RNA (rRNA) affect bacterial protein synthesis. These antibiotics remain one of the few valid treatments against hospital-acquired infections by Gram-negative bacteria. It is necessary to understand the amplitude of electrostatic interactions between aminoglycosides and their rRNA targets to introduce aminoglycoside modifications that would enhance their binding or to design new scaffolds. Here, we calculated the electrostatic energy of interactions and its per-ring contributions between aminoglycosides and their primary rRNA binding site. We applied either the methodology based on the exact potential multipole moment (EPMM) or classical molecular mechanics force field single-point partial charges with Coulomb formula. For EPMM, we first reconstructed the aspherical electron density of 12 aminoglycoside-RNA complexes from the atomic parameters deposited in the University at Buffalo Databank. The University at Buffalo Databank concept assumes transferability of electron density between atoms in chemically equivalent vicinities and allows reconstruction of the electron densities from experimental structural data. From the electron density, we then calculated the electrostatic energy of interaction using EPMM. Finally, we compared the two approaches. The calculated electrostatic interaction energies between various aminoglycosides and their binding sites correlate with experimentally obtained binding free energies. Based on the calculated energetic contributions of water molecules mediating the interactions between the antibiotic and rRNA, we suggest possible modifications that could enhance aminoglycoside binding affinity. PMID:25650932

Sodankylä ionospheric tomography data set 2003-2014

NASA Astrophysics Data System (ADS)

Norberg, Johannes; Roininen, Lassi; Kero, Antti; Raita, Tero; Ulich, Thomas; Markkanen, Markku; Juusola, Liisa; Kauristie, Kirsti

2016-07-01

Sodankylä Geophysical Observatory has been operating a receiver network for ionospheric tomography and collecting the produced data since 2003. The collected data set consists of phase difference curves measured from COSMOS navigation satellites from the Russian Parus network (Wood and Perry, 1980) and tomographic electron density reconstructions obtained from these measurements. In this study vertical total electron content (VTEC) values are integrated from the reconstructed electron densities to make a qualitative and quantitative analysis to validate the long-term performance of the tomographic system. During the observation period, 2003-2014, there were three to five operational stations at the Fennoscandia sector. Altogether the analysis consists of around 66 000 overflights, but to ensure the quality of the reconstructions, the examination is limited to cases with descending (north to south) overflights and maximum elevation over 60°. These constraints limit the number of overflights to around 10 000. Based on this data set, one solar cycle of ionospheric VTEC estimates is constructed. The measurements are compared against the International Reference Ionosphere (IRI)-2012 model, F10.7 solar flux index and sunspot number data. Qualitatively the tomographic VTEC estimate corresponds to reference data very well, but the IRI-2012 model results are on average 40 % higher than that of the tomographic results.

Analytic solution of the Spencer-Lewis angular-spatial moments equations

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

Filippone, W.L.

A closed-form solution for the angular-spatial moments of the Spencer-Lewis equation is presented that is valid for infinite homogeneous media. From the moments, the electron density distribution as a function of position and path length (energy) is reconstructed for several sample problems involving plane isotropic sources of electrons in aluminium. The results are in excellent agreement with those determined numerically using the streaming ray method. The primary use of the closed form solution will most likely be to generate accurate electron transport benchmark solutions. In principle, the electron density as a function of space, path length, and direction can bemore » determined for planar sources of arbitrary angular distribution.« less

An electron tomography algorithm for reconstructing 3D morphology using surface tangents of projected scattering interfaces

NASA Astrophysics Data System (ADS)

Petersen, T. C.; Ringer, S. P.

2010-03-01

Upon discerning the mere shape of an imaged object, as portrayed by projected perimeters, the full three-dimensional scattering density may not be of particular interest. In this situation considerable simplifications to the reconstruction problem are possible, allowing calculations based upon geometric principles. Here we describe and provide an algorithm which reconstructs the three-dimensional morphology of specimens from tilt series of images for application to electron tomography. Our algorithm uses a differential approach to infer the intersection of projected tangent lines with surfaces which define boundaries between regions of different scattering densities within and around the perimeters of specimens. Details of the algorithm implementation are given and explained using reconstruction calculations from simulations, which are built into the code. An experimental application of the algorithm to a nano-sized Aluminium tip is also presented to demonstrate practical analysis for a real specimen. Program summaryProgram title: STOMO version 1.0 Catalogue identifier: AEFS_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEFS_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 2988 No. of bytes in distributed program, including test data, etc.: 191 605 Distribution format: tar.gz Programming language: C/C++ Computer: PC Operating system: Windows XP RAM: Depends upon the size of experimental data as input, ranging from 200 Mb to 1.5 Gb Supplementary material: Sample output files, for the test run provided, are available. Classification: 7.4, 14 External routines: Dev-C++ ( http://www.bloodshed.net/devcpp.html) Nature of problem: Electron tomography of specimens for which conventional back projection may fail and/or data for which there is a limited angular range. The algorithm does not solve the tomographic back-projection problem but rather reconstructs the local 3D morphology of surfaces defined by varied scattering densities. Solution method: Reconstruction using differential geometry applied to image analysis computations. Restrictions: The code has only been tested with square images and has been developed for only single-axis tilting. Running time: For high quality reconstruction, 5-15 min

The stationary non-equilibrium plasma of cosmic-ray electrons and positrons

NASA Astrophysics Data System (ADS)

Tomaschitz, Roman

2016-06-01

The statistical properties of the two-component plasma of cosmic-ray electrons and positrons measured by the AMS-02 experiment on the International Space Station and the HESS array of imaging atmospheric Cherenkov telescopes are analyzed. Stationary non-equilibrium distributions defining the relativistic electron-positron plasma are derived semi-empirically by performing spectral fits to the flux data and reconstructing the spectral number densities of the electronic and positronic components in phase space. These distributions are relativistic power-law densities with exponential cutoff, admitting an extensive entropy variable and converging to the Maxwell-Boltzmann or Fermi-Dirac distributions in the non-relativistic limit. Cosmic-ray electrons and positrons constitute a classical (low-density high-temperature) plasma due to the low fugacity in the quantized partition function. The positron fraction is assembled from the flux densities inferred from least-squares fits to the electron and positron spectra and is subjected to test by comparing with the AMS-02 flux ratio measured in the GeV interval. The calculated positron fraction extends to TeV energies, predicting a broad spectral peak at about 1 TeV followed by exponential decay.

Kohn-Sham potentials from electron densities using a matrix representation within finite atomic orbital basis sets

NASA Astrophysics Data System (ADS)

Zhang, Xing; Carter, Emily A.

2018-01-01

We revisit the static response function-based Kohn-Sham (KS) inversion procedure for determining the KS effective potential that corresponds to a given target electron density within finite atomic orbital basis sets. Instead of expanding the potential in an auxiliary basis set, we directly update the potential in its matrix representation. Through numerical examples, we show that the reconstructed density rapidly converges to the target density. Preliminary results are presented to illustrate the possibility of obtaining a local potential in real space from the optimized potential in its matrix representation. We have further applied this matrix-based KS inversion approach to density functional embedding theory. A proof-of-concept study of a solvated proton transfer reaction demonstrates the method's promise.

Tomographic determination of the power distribution in electron beams

DOEpatents

Teruya, Alan T.; Elmer, John W.

1996-01-01

A tomographic technique for determining the power distribution of an electron beam using electron beam profile data acquired from a modified Faraday cup to create an image of the current density in high and low power beams. A refractory metal disk with a number of radially extending slits is placed above a Faraday cup. The beam is swept in a circular pattern so that its path crosses each slit in a perpendicular manner, thus acquiring all the data needed for a reconstruction in one circular sweep. Also, a single computer is used to generate the signals actuating the sweep, to acquire that data, and to do the reconstruction, thus reducing the time and equipment necessary to complete the process.

Tomographic determination of the power distribution in electron beams

DOEpatents

Teruya, A.T.; Elmer, J.W.

1996-12-10

A tomographic technique for determining the power distribution of an electron beam using electron beam profile data acquired from a modified Faraday cup to create an image of the current density in high and low power beams is disclosed. A refractory metal disk with a number of radially extending slits is placed above a Faraday cup. The beam is swept in a circular pattern so that its path crosses each slit in a perpendicular manner, thus acquiring all the data needed for a reconstruction in one circular sweep. Also, a single computer is used to generate the signals actuating the sweep, to acquire that data, and to do the reconstruction, thus reducing the time and equipment necessary to complete the process. 4 figs.

Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data.

PubMed

Gueddida, Saber; Yan, Zeyin; Kibalin, Iurii; Voufack, Ariste Bolivard; Claiser, Nicolas; Souhassou, Mohamed; Lecomte, Claude; Gillon, Béatrice; Gillet, Jean-Michel

2018-04-28

In this paper, we propose a simple cluster model with limited basis sets to reproduce the unpaired electron distributions in a YTiO 3 ferromagnetic crystal. The spin-resolved one-electron-reduced density matrix is reconstructed simultaneously from theoretical magnetic structure factors and directional magnetic Compton profiles using our joint refinement algorithm. This algorithm is guided by the rescaling of basis functions and the adjustment of the spin population matrix. The resulting spin electron density in both position and momentum spaces from the joint refinement model is in agreement with theoretical and experimental results. Benefits brought from magnetic Compton profiles to the entire spin density matrix are illustrated. We studied the magnetic properties of the YTiO 3 crystal along the Ti-O 1 -Ti bonding. We found that the basis functions are mostly rescaled by means of magnetic Compton profiles, while the molecular occupation numbers are mainly modified by the magnetic structure factors.

Reconstructing Regional Ionospheric Electron Density: A Combined Spherical Slepian Function and Empirical Orthogonal Function Approach

NASA Astrophysics Data System (ADS)

Farzaneh, Saeed; Forootan, Ehsan

2018-03-01

The computerized ionospheric tomography is a method for imaging the Earth's ionosphere using a sounding technique and computing the slant total electron content (STEC) values from data of the global positioning system (GPS). The most common approach for ionospheric tomography is the voxel-based model, in which (1) the ionosphere is divided into voxels, (2) the STEC is then measured along (many) satellite signal paths, and finally (3) an inversion procedure is applied to reconstruct the electron density distribution of the ionosphere. In this study, a computationally efficient approach is introduced, which improves the inversion procedure of step 3. Our proposed method combines the empirical orthogonal function and the spherical Slepian base functions to describe the vertical and horizontal distribution of electron density, respectively. Thus, it can be applied on regional and global case studies. Numerical application is demonstrated using the ground-based GPS data over South America. Our results are validated against ionospheric tomography obtained from the constellation observing system for meteorology, ionosphere, and climate (COSMIC) observations and the global ionosphere map estimated by international centers, as well as by comparison with STEC derived from independent GPS stations. Using the proposed approach, we find that while using 30 GPS measurements in South America, one can achieve comparable accuracy with those from COSMIC data within the reported accuracy (1 × 1011 el/cm3) of the product. Comparisons with real observations of two GPS stations indicate an absolute difference is less than 2 TECU (where 1 total electron content unit, TECU, is 1016 electrons/m2).

Ab Initio Theory of Nuclear Magnetic Resonance Shifts in Metals

NASA Astrophysics Data System (ADS)

D'Avezac, Mayeul; Marzari, Nicola; Mauri, Francesco

2005-03-01

A comprehensive approach for the first-principles determination of all-electron NMR shifts in metallic systems is presented. Our formulation is based on a combination of density-functional perturbation theory and all-electron wavefunction reconstruction, starting from periodic-boundary calculations in the pseudopotential approximation. The orbital contribution to the NMR shift (the chemical shift) is obtained by combining the gauge-including projector augmented-wave approach (GIPAW), originally developed for the case of insulatorsootnotetextC. J. Pickard, Francesco Mauri, Phys. Rev. B, 63, 245101(2001), with the extension of linear-response theory to the case of metallic systemsootnotetextS. de Gironcoli, Phys. Rev. B, 51, 6773(1995). The spin contribution (the Knight shift) is obtained as a response to a finite uniform magnetic field, and through reconstructing the hyperfine interaction between the electron-spin density and the nuclear spins with the projector augmented-wave method (PAWootnotetextC. G. Van de Walle, P. E. Blöchl, Phys. Rev. B, 47, 4244(1993)). Our method is validated with applications to the case of the homogeneous electron gas and of simple metals. (Work supported by MURI grant DAAD 19-03-1-0169 and MIT-France)

Electronic structure reconstruction across the antiferromagnetic transition in TaFe₁̣₂₃Te₃ spin ladder

DOE PAGES

Xu, Min; Wang, Li -Min; Peng, Rui; ...

2015-02-01

With angle-resolved photoemission spectroscopy, we studied the electronic structure of TaFe₁̣₂₃Te₃, a two-leg spin ladder compound with a novel antiferromagnetic ground state. Quasi-two-dimensional Fermi surface is observed, with sizable inter-ladder hopping. Moreover, instead of observing an energy gap at the Fermi surface in the antiferromagnetic state, we observed the shifts of various bands. Combining these observations with density-functional-theory calculations, we propose that the large scale reconstruction of the electronic structure, caused by the interactions between coexisting itinerant electrons and local moments, is most likely the driving force of the magnetic transition. Thus TaFe₁̣₂₃Te₃ serves as a simpler platform that containsmore » similar ingredients as the parent compounds of iron-based superconductors.« less

Transition from Reconstruction toward Thin Film on the (110) Surface of Strontium Titanate

PubMed Central

2016-01-01

The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO3 (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination of the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. This transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface. PMID:26954064

Ionospheric tomography using ADS-B signals

NASA Astrophysics Data System (ADS)

Cushley, A. C.; Noël, J.-M.

2014-07-01

Numerical modeling has demonstrated that Automatic Dependent Surveillance Broadcast (ADS-B) signals can be used to reconstruct two-dimensional (2-D) electron density maps of the ionosphere using techniques for computerized tomography. Ray tracing techniques were used to determine the characteristics of individual waves, including the wave path and the state of polarization at the satellite receiver. The modeled Faraday rotation was computed and converted to total electron content (TEC) along the raypaths. The resulting TEC was used as input for computerized ionospheric tomography (CIT) using algebraic reconstruction technique. This study concentrated on reconstructing mesoscale structures 25-100 km in horizontal extent. The primary scientific interest of this study was to show that ADS-B signals can be used as a new source of data for CIT to image the ionosphere and to obtain a better understanding of magneto-ionic wave propagation.

Positron Annihilation Induced Auger Electron Spectroscopic Studies Of Reconstructed Semiconductor Surfaces

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Reed, J. A.; Starnes, S. G.; Weiss, A. H.

2011-06-01

The positron annihilation induced Auger spectrum from GaAs(100) displays six As and three Ga Auger peaks below 110 eV corresponding to M4,5VV, M2M4V, M2,3M4,5M4,5 Auger transitions for As and M2,3M4,5M4,5 Auger transitions for Ga. The integrated Auger peak intensities have been used to obtain experimental annihilation probabilities of surface trapped positrons with As 3p and 3d and Ga 3p core level electrons. PAES data is analyzed by performing calculations of positron surface and bulk states and annihilation characteristics of surface trapped positrons with relevant Ga and As core level electrons for both Ga- and As-rich (100) surfaces of GaAs, ideally terminated, non-reconstructed and with (2×8), (2×4), and (4×4) reconstructions. The orientation-dependent variations of the atomic and electron densities associated with reconstructions are found to affect localization of the positron wave function at the surface. Computed positron binding energy, work function, and annihilation characteristics demonstrate their sensitivity both to chemical composition and atomic structure of the topmost layers of the surface. Theoretical annihilation probabilities of surface trapped positrons with As 3d, 3p, and Ga 3p core level electrons are compared with the ones estimated from the measured Auger peak intensities.

Surface structures of L10-MnGa (001) by scanning tunneling microscopy and first-principles theory

NASA Astrophysics Data System (ADS)

Corbett, J. P.; Guerrero-Sanchez, J.; Richard, A. L.; Ingram, D. C.; Takeuchi, N.; Smith, A. R.

2017-11-01

We report on the surface reconstructions of L10-ordered MnGa (001) thin films grown by molecular beam epitaxy on a 50 nm Mn3N2 (001) layer freshly grown on a magnesium oxide (001) substrate. Scanning tunneling microscopy, Auger electron spectroscopy, and reflection high energy electron diffraction are combined with first-principles density functional theory calculations to determine the reconstructions of the L10-ordered MnGa (001) surface. We find two lowest energy reconstructions of the MnGa (001) face: a 1 × 1 Ga-terminated structure and a 1 × 2 structure with a Mn replacing a Ga in the 1 × 1 Ga-terminated surface. The 1 × 2 reconstruction forms a row structure along [100]. The manganese:gallium stoichiometry within the surface based on theoretical modeling is in good agreement with experiment. Magnetic moment calculations for the two lowest energy structures reveal important surface and bulk effects leading to oscillatory total magnetization for ultra-thin MnGa (001) films.

Virtual rough samples to test 3D nanometer-scale scanning electron microscopy stereo photogrammetry.

PubMed

Villarrubia, J S; Tondare, V N; Vladár, A E

2016-01-01

The combination of scanning electron microscopy for high spatial resolution, images from multiple angles to provide 3D information, and commercially available stereo photogrammetry software for 3D reconstruction offers promise for nanometer-scale dimensional metrology in 3D. A method is described to test 3D photogrammetry software by the use of virtual samples-mathematical samples from which simulated images are made for use as inputs to the software under test. The virtual sample is constructed by wrapping a rough skin with any desired power spectral density around a smooth near-trapezoidal line with rounded top corners. Reconstruction is performed with images simulated from different angular viewpoints. The software's reconstructed 3D model is then compared to the known geometry of the virtual sample. Three commercial photogrammetry software packages were tested. Two of them produced results for line height and width that were within close to 1 nm of the correct values. All of the packages exhibited some difficulty in reconstructing details of the surface roughness.

Comparison of the Specificity of MREIT and Dynamic Contrast-Enhanced MRI in Breast Cancer

DTIC Science & Technology

2007-05-01

ghosts ’ of objects in other slices may even appear in the reconstructed slice depending on how the conductivity and resulting 3D current density is...background and results are compared to the ideal reconstruction. (Some figures in this article are in colour only in the electronic version) 1. Introduction...eliminate any contribution from the currents flowing in those wires. Wires were mounted on acrylic support beams to establish rigidity. For all cases

System for tomographic determination of the power distribution in electron beams

DOEpatents

Elmer, John W.; Teruya, Alan T.; O'Brien, Dennis W.

1995-01-01

A tomographic technique for measuring the current density distribution in electron beams using electron beam profile data acquired from a modified Faraday cup to create an image of the current density in high and low power beams. The modified Faraday cup includes a narrow slit and is rotated by a stepper motor and can be moved in the x, y and z directions. The beam is swept across the slit perpendicular thereto and controlled by deflection coils, and the slit rotated such that waveforms are taken every few degrees form 0.degree. to 360.degree. and the waveforms are recorded by a digitizing storage oscilloscope. Two-dimensional and three-dimensional images of the current density distribution in the beam can be reconstructed by computer tomography from this information, providing quantitative information about the beam focus and alignment.

System for tomographic determination of the power distribution in electron beams

DOEpatents

Elmer, J.W.; Teruya, A.T.; O`Brien, D.W.

1995-11-21

A tomographic technique for measuring the current density distribution in electron beams using electron beam profile data acquired from a modified Faraday cup to create an image of the current density in high and low power beams. The modified Faraday cup includes a narrow slit and is rotated by a stepper motor and can be moved in the x, y and z directions. The beam is swept across the slit perpendicular thereto and controlled by deflection coils, and the slit rotated such that waveforms are taken every few degrees form 0{degree} to 360{degree} and the waveforms are recorded by a digitizing storage oscilloscope. Two-dimensional and three-dimensional images of the current density distribution in the beam can be reconstructed by computer tomography from this information, providing quantitative information about the beam focus and alignment. 12 figs.

Using cryoEM Reconstruction and Phase Extension to Determine Crystal Structure of Bacteriophage $${\\Phi}$$6 Major Capsid Protein

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

Nemecek, Daniel; Plevka, Pavel; Boura, Evzen

2013-11-29

Bacteriophagemore » $${\\Phi}$$6 is a double-stranded RNA virus that has been extensively studied as a model organism. In this paper we describe structure determination of $${\\Phi}$$6 major capsid protein P1. The protein crystallized in base centered orthorhombic space group C2221. Matthews’s coefficient indicated that the crystals contain from four to seven P1 subunits in the crystallographic asymmetric unit. The self-rotation function had shown presence of fivefold axes of non-crystallographic symmetry in the crystals. Thus, electron density map corresponding to a P1 pentamer was excised from a previously determined cryoEM reconstruction of the $${\\Phi}$$6 procapsid at 7 Å resolution and used as a model for molecular replacement. The phases for reflections at higher than 7 Å resolution were obtained by phase extension employing the fivefold non-crystallographic symmetry present in the crystal. Lastly, the averaged 3.6 Å-resolution electron density map was of sufficient quality to allow model building.« less

Vertical structure of medium-scale traveling ionospheric disturbances

NASA Astrophysics Data System (ADS)

Ssessanga, Nicholas; Kim, Yong Ha; Kim, Eunsol

2015-11-01

We develop an algorithm of computerized ionospheric tomography (CIT) to infer information on the vertical and horizontal structuring of electron density during nighttime medium-scale traveling ionospheric disturbances (MSTIDs). To facilitate digital CIT we have adopted total electron contents (TEC) from a dense Global Positioning System (GPS) receiver network, GEONET, which contains more than 1000 receivers. A multiplicative algebraic reconstruction technique was utilized with a calibrated IRI-2012 model as an initial solution. The reconstructed F2 peak layer varied in altitude with average peak-to-peak amplitude of ~52 km. In addition, the F2 peak layer anticorrelated with TEC variations. This feature supports a theory in which nighttime MSTID is composed of oscillating electric fields due to conductivity variations. Moreover, reconstructed TEC variations over two stations were reasonably close to variations directly derived from the measured TEC data set. Our tomographic analysis may thus help understand three-dimensional structure of MSTIDs in a quantitative way.

Longitudinal Differences of Ionospheric Vertical Density Distribution and Equatorial Electrodynamics

NASA Technical Reports Server (NTRS)

Yizengaw, E.; Zesta, E.; Moldwin, M. B.; Damtie, B.; Mebrahtu, A.; Valledares, C.E.; Pfaff, R. F.

2012-01-01

Accurate estimation of global vertical distribution of ionospheric and plasmaspheric density as a function of local time, season, and magnetic activity is required to improve the operation of space-based navigation and communication systems. The vertical density distribution, especially at low and equatorial latitudes, is governed by the equatorial electrodynamics that produces a vertical driving force. The vertical structure of the equatorial density distribution can be observed by using tomographic reconstruction techniques on ground-based global positioning system (GPS) total electron content (TEC). Similarly, the vertical drift, which is one of the driving mechanisms that govern equatorial electrodynamics and strongly affect the structure and dynamics of the ionosphere in the low/midlatitude region, can be estimated using ground magnetometer observations. We present tomographically reconstructed density distribution and the corresponding vertical drifts at two different longitudes: the East African and west South American sectors. Chains of GPS stations in the east African and west South American longitudinal sectors, covering the equatorial anomaly region of meridian approx. 37 deg and 290 deg E, respectively, are used to reconstruct the vertical density distribution. Similarly, magnetometer sites of African Meridian B-field Education and Research (AMBER) and INTERMAGNET for the east African sector and South American Meridional B-field Array (SAMBA) and Low Latitude Ionospheric Sensor Network (LISN) are used to estimate the vertical drift velocity at two distinct longitudes. The comparison between the reconstructed and Jicamarca Incoherent Scatter Radar (ISR) measured density profiles shows excellent agreement, demonstrating the usefulness of tomographic reconstruction technique in providing the vertical density distribution at different longitudes. Similarly, the comparison between magnetometer estimated vertical drift and other independent drift observation, such as from VEFI onboard Communication/Navigation Outage Forecasting System (C/NOFS) satellite and JULIA radar, is equally promising. The observations at different longitudes suggest that the vertical drift velocities and the vertical density distribution have significant longitudinal differences; especially the equatorial anomaly peaks expand to higher latitudes more in American sector than the African sector, indicating that the vertical drift in the American sector is stronger than the African sector.

Classification and assessment of retrieved electron density maps in coherent X-ray diffraction imaging using multivariate analysis.

PubMed

Sekiguchi, Yuki; Oroguchi, Tomotaka; Nakasako, Masayoshi

2016-01-01

Coherent X-ray diffraction imaging (CXDI) is one of the techniques used to visualize structures of non-crystalline particles of micrometer to submicrometer size from materials and biological science. In the structural analysis of CXDI, the electron density map of a sample particle can theoretically be reconstructed from a diffraction pattern by using phase-retrieval (PR) algorithms. However, in practice, the reconstruction is difficult because diffraction patterns are affected by Poisson noise and miss data in small-angle regions due to the beam stop and the saturation of detector pixels. In contrast to X-ray protein crystallography, in which the phases of diffracted waves are experimentally estimated, phase retrieval in CXDI relies entirely on the computational procedure driven by the PR algorithms. Thus, objective criteria and methods to assess the accuracy of retrieved electron density maps are necessary in addition to conventional parameters monitoring the convergence of PR calculations. Here, a data analysis scheme, named ASURA, is proposed which selects the most probable electron density maps from a set of maps retrieved from 1000 different random seeds for a diffraction pattern. Each electron density map composed of J pixels is expressed as a point in a J-dimensional space. Principal component analysis is applied to describe characteristics in the distribution of the maps in the J-dimensional space. When the distribution is characterized by a small number of principal components, the distribution is classified using the k-means clustering method. The classified maps are evaluated by several parameters to assess the quality of the maps. Using the proposed scheme, structure analysis of a diffraction pattern from a non-crystalline particle is conducted in two stages: estimation of the overall shape and determination of the fine structure inside the support shape. In each stage, the most accurate and probable density maps are objectively selected. The validity of the proposed scheme is examined by application to diffraction data that were obtained from an aggregate of metal particles and a biological specimen at the XFEL facility SACLA using custom-made diffraction apparatus.

Three-dimensional structural dynamics and fluctuations of DNA-nanogold conjugates by individual-particle electron tomography

NASA Astrophysics Data System (ADS)

Zhang, Lei; Lei, Dongsheng; Smith, Jessica M.; Zhang, Meng; Tong, Huimin; Zhang, Xing; Lu, Zhuoyang; Liu, Jiankang; Alivisatos, A. Paul; Ren, Gang

2016-03-01

DNA base pairing has been used for many years to direct the arrangement of inorganic nanocrystals into small groupings and arrays with tailored optical and electrical properties. The control of DNA-mediated assembly depends crucially on a better understanding of three-dimensional structure of DNA-nanocrystal-hybridized building blocks. Existing techniques do not allow for structural determination of these flexible and heterogeneous samples. Here we report cryo-electron microscopy and negative-staining electron tomography approaches to image, and three-dimensionally reconstruct a single DNA-nanogold conjugate, an 84-bp double-stranded DNA with two 5-nm nanogold particles for potential substrates in plasmon-coupling experiments. By individual-particle electron tomography reconstruction, we obtain 14 density maps at ~2-nm resolution. Using these maps as constraints, we derive 14 conformations of dsDNA by molecular dynamics simulations. The conformational variation is consistent with that from liquid solution, suggesting that individual-particle electron tomography could be an expected approach to study DNA-assembling and flexible protein structure and dynamics.

System for tomographic determination of the power distribution in electron beams

DOEpatents

Elmer, J.W.; Teruya, A.T.; O'Brien, D.W.

1995-01-17

A tomographic technique is disclosed for measuring the current density distribution in electron beams using electron beam profile data acquired from a modified Faraday cup to create an image of the current density in high and low power beams. The modified Faraday cup includes a narrow slit and is rotated by a stepper motor and can be moved in the x, y and z directions. The beam is swept across the slit perpendicular thereto and controlled by deflection coils, and the slit rotated such that waveforms are taken every few degrees form 0[degree] to 360[degree] and the waveforms are recorded by a digitizing storage oscilloscope. Two-dimensional and three-dimensional images of the current density distribution in the beam can be reconstructed by computer tomography from this information, providing quantitative information about the beam focus and alignment. 12 figures.

A Method to Improve Electron Density Measurement of Cone-Beam CT Using Dual Energy Technique

PubMed Central

Men, Kuo; Dai, Jian-Rong; Li, Ming-Hui; Chen, Xin-Yuan; Zhang, Ke; Tian, Yuan; Huang, Peng; Xu, Ying-Jie

2015-01-01

Purpose. To develop a dual energy imaging method to improve the accuracy of electron density measurement with a cone-beam CT (CBCT) device. Materials and Methods. The imaging system is the XVI CBCT system on Elekta Synergy linac. Projection data were acquired with the high and low energy X-ray, respectively, to set up a basis material decomposition model. Virtual phantom simulation and phantoms experiments were carried out for quantitative evaluation of the method. Phantoms were also scanned twice with the high and low energy X-ray, respectively. The data were decomposed into projections of the two basis material coefficients according to the model set up earlier. The two sets of decomposed projections were used to reconstruct CBCT images of the basis material coefficients. Then, the images of electron densities were calculated with these CBCT images. Results. The difference between the calculated and theoretical values was within 2% and the correlation coefficient of them was about 1.0. The dual energy imaging method obtained more accurate electron density values and reduced the beam hardening artifacts obviously. Conclusion. A novel dual energy CBCT imaging method to calculate the electron densities was developed. It can acquire more accurate values and provide a platform potentially for dose calculation. PMID:26346510

Tomography Reconstruction of Ionospheric Electron Density with Empirical Orthonormal Functions Using Korea GNSS Network

NASA Astrophysics Data System (ADS)

Hong, Junseok; Kim, Yong Ha; Chung, Jong-Kyun; Ssessanga, Nicholas; Kwak, Young-Sil

2017-03-01

In South Korea, there are about 80 Global Positioning System (GPS) monitoring stations providing total electron content (TEC) every 10 min, which can be accessed through Korea Astronomy and Space Science Institute (KASI) for scientific use. We applied the computerized ionospheric tomography (CIT) algorithm to the TEC dataset from this GPS network for monitoring the regional ionosphere over South Korea. The algorithm utilizes multiplicative algebraic reconstruction technique (MART) with an initial condition of the latest International Reference Ionosphere-2016 model (IRI-2016). In order to reduce the number of unknown variables, the vertical profiles of electron density are expressed with a linear combination of empirical orthonormal functions (EOFs) that were derived from the IRI empirical profiles. Although the number of receiver sites is much smaller than that of Japan, the CIT algorithm yielded reasonable structure of the ionosphere over South Korea. We verified the CIT results with NmF2 from ionosondes in Icheon and Jeju and also with GPS TEC at the center of South Korea. In addition, the total time required for CIT calculation was only about 5 min, enabling the exploration of the vertical ionospheric structure in near real time.

Transition from reconstruction toward thin film on the (110) surface of strontium titanate

DOE PAGES

Wang, Z.; Loon, A.; Subramanian, A.; ...

2016-03-08

The surfaces of metal oxides often are reconstructed with a geometry and composition that is considerably different from a simple termination of the bulk. Such structures can also be viewed as ultrathin films, epitaxed on a substrate. Here, the reconstructions of the SrTiO 3 (110) surface are studied combining scanning tunneling microscopy (STM), transmission electron diffraction, and X-ray absorption spectroscopy (XAS), and analyzed with density functional theory calculations. Whereas SrTiO 3 (110) invariably terminates with an overlayer of titania, with increasing density its structure switches from n × 1 to 2 × n. At the same time the coordination ofmore » the Ti atoms changes from a network of corner-sharing tetrahedra to a double layer of edge-shared octahedra with bridging units of octahedrally coordinated strontium. Furthermore, this transition from the n × 1 to 2 × n reconstructions is a transition from a pseudomorphically stabilized tetrahedral network toward an octahedral titania thin film with stress-relief from octahedral strontia units at the surface.« less

Valence-state reflectometry of complex oxide heterointerfaces

DOE PAGES

Hamann-Borrero, Jorge E.; Macke, Sebastian; Choi, Woo Seok; ...

2016-09-16

Emergent phenomena in transition-metal-oxide heterostructures such as interface superconductivity and magnetism have been attributed to electronic reconstruction, which, however, is difficult to detect and characterise. Here we overcome the associated difficulties to simultaneously address the electronic degrees of freedom and distinguish interface from bulk effects by implementing a novel approach to resonant X-ray reflectivity (RXR). Our RXR study of the chemical and valance profiles along the polar (001) direction of a LaCoO 3 film on NdGaO 3 reveals a pronounced valence-state reconstruction from Co 3+ in the bulk to Co 2+ at the surface, with an areal density close tomore » 0.5 Co 2+ ions per unit cell. An identical film capped with polar (001) LaAlO 3 maintains the Co 3+ valence over its entire thickness. As a result, we interpret this as evidence for electronic reconstruction in the uncapped film, involving the transfer of 0.5e – per unit cell to the subsurface CoO 2 layer at its LaO-terminated polar surface.« less

Coherent diffraction imaging analysis of shape-controlled nanoparticles with focused hard X-ray free-electron laser pulses.

PubMed

Takahashi, Yukio; Suzuki, Akihiro; Zettsu, Nobuyuki; Oroguchi, Tomotaka; Takayama, Yuki; Sekiguchi, Yuki; Kobayashi, Amane; Yamamoto, Masaki; Nakasako, Masayoshi

2013-01-01

We report the first demonstration of the coherent diffraction imaging analysis of nanoparticles using focused hard X-ray free-electron laser pulses, allowing us to analyze the size distribution of particles as well as the electron density projection of individual particles. We measured 1000 single-shot coherent X-ray diffraction patterns of shape-controlled Ag nanocubes and Au/Ag nanoboxes and estimated the edge length from the speckle size of the coherent diffraction patterns. We then reconstructed the two-dimensional electron density projection with sub-10 nm resolution from selected coherent diffraction patterns. This method enables the simultaneous analysis of the size distribution of synthesized nanoparticles and the structures of particles at nanoscale resolution to address correlations between individual structures of components and the statistical properties in heterogeneous systems such as nanoparticles and cells.

Two-dimensional ionospheric tomography over the low-latitude Indian region: An intercomparison of ART and MART algorithms

NASA Astrophysics Data System (ADS)

Das, Sukanta Kumar; Shukla, Ashish Kumar

2011-04-01

Single-frequency users of a satellite-based augmentation system (SBAS) rely on ionospheric models to mitigate the delay due to the ionosphere. The ionosphere is the major source of range and range rate errors for users of the Global Positioning System (GPS) who require high-accuracy positioning. The purpose of the present study is to develop a tomography model to reconstruct the total electron content (TEC) over the low-latitude Indian region which lies in the equatorial ionospheric anomaly belt. In the present study, the TEC data collected from the six TEC collection stations along a longitudinal belt of around 77 degrees are used. The main objective of the study is to find out optimum pixel size which supports a better reconstruction of the electron density and hence the TEC over the low-latitude Indian region. Performance of two reconstruction algorithms Algebraic Reconstruction Technique (ART) and Multiplicative Algebraic Reconstruction Technique (MART) is analyzed for different pixel sizes varying from 1 to 6 degrees in latitude. It is found from the analysis that the optimum pixel size is 5° × 50 km over the Indian region using both ART and MART algorithms.

WE-EF-207-07: Dual Energy CT with One Full Scan and a Second Sparse-View Scan Using Structure Preserving Iterative Reconstruction (SPIR)

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

Wang, T; Zhu, L

Purpose: Conventional dual energy CT (DECT) reconstructs CT and basis material images from two full-size projection datasets with different energy spectra. To relax the data requirement, we propose an iterative DECT reconstruction algorithm using one full scan and a second sparse-view scan by utilizing redundant structural information of the same object acquired at two different energies. Methods: We first reconstruct a full-scan CT image using filtered-backprojection (FBP) algorithm. The material similarities of each pixel with other pixels are calculated by an exponential function about pixel value differences. We assume that the material similarities of pixels remains in the second CTmore » scan, although pixel values may vary. An iterative method is designed to reconstruct the second CT image from reduced projections. Under the data fidelity constraint, the algorithm minimizes the L2 norm of the difference between pixel value and its estimation, which is the average of other pixel values weighted by their similarities. The proposed algorithm, referred to as structure preserving iterative reconstruction (SPIR), is evaluated on physical phantoms. Results: On the Catphan600 phantom, SPIR-based DECT method with a second 10-view scan reduces the noise standard deviation of a full-scan FBP CT reconstruction by a factor of 4 with well-maintained spatial resolution, while iterative reconstruction using total-variation regularization (TVR) degrades the spatial resolution at the same noise level. The proposed method achieves less than 1% measurement difference on electron density map compared with the conventional two-full-scan DECT. On an anthropomorphic pediatric phantom, our method successfully reconstructs the complicated vertebra structures and decomposes bone and soft tissue. Conclusion: We develop an effective method to reduce the number of views and therefore data acquisition in DECT. We show that SPIR-based DECT using one full scan and a second 10-view scan can provide high-quality DECT images and accurate electron density maps as conventional two-full-scan DECT.« less

On a gas electron multiplier based synthetic diagnostic for soft x-ray tomography on WEST with focus on impurity transport studies

NASA Astrophysics Data System (ADS)

Jardin, A.; Mazon, D.; Malard, P.; O'Mullane, M.; Chernyshova, M.; Czarski, T.; Malinowski, K.; Kasprowicz, G.; Wojenski, A.; Pozniak, K.

2017-08-01

The tokamak WEST aims at testing ITER divertor high heat flux component technology in long pulse operation. Unfortunately, heavy impurities like tungsten (W) sputtered from the plasma facing components can pollute the plasma core by radiation cooling in the soft x-ray (SXR) range, which is detrimental for the energy confinement and plasma stability. SXR diagnostics give valuable information to monitor impurities and study their transport. The WEST SXR diagnostic is composed of two new cameras based on the Gas Electron Multiplier (GEM) technology. The WEST GEM cameras will be used for impurity transport studies by performing 2D tomographic reconstructions with spectral resolution in tunable energy bands. In this paper, we characterize the GEM spectral response and investigate W density reconstruction thanks to a synthetic diagnostic recently developed and coupled with a tomography algorithm based on the minimum Fisher information (MFI) inversion method. The synthetic diagnostic includes the SXR source from a given plasma scenario, the photoionization, electron cloud transport and avalanche in the detection volume using Magboltz, and tomographic reconstruction of the radiation from the GEM signal. Preliminary studies of the effect of transport on the W ionization equilibrium and on the reconstruction capabilities are also presented.

Manifestations of the MHD and kinetic dynamo through soft x-rays

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

Chartas, G.A.

1991-08-01

The underlying mechanisms that produce and sustain the reversed toroidal field in RFP's are investigated by analyzing 2Dx-ray emissivity reconstruction and by correlating the evolution of the hot electron properties to the reversed toroidal magnetic field. Reconnection of emissivity surfaces as seen in soft x-ray (SXR) reconstructing occur near the predicted resonant surface for the m=1, n=5, 6,-7 resistive tearing modes. Two distinct rates of reversed magnetic field generation are observed. First, in the MHD relaxation phase a sudden increase in B{sub t}(a) is detected. This event coincides with a large increase in the edge hot electron current density. Themore » second mode of flux generation is observed t have a slower rate and occurs during the diffusion phase. A variation of the edge hot electron current density by a factor of four produced only a small change in the measured B{sub t}(a), implying the contributions of the hot electrons to the dynamo during the diffusion phase is small. {tilde T}{sub e}, / was measured to be approximately 60%, which is much larger than the corresponding quantity for the bulk component which is about 30%. Scaling of the magnetic Reynolds number with the diffusion and MHD relaxation time, {tau}{sub MHD} indicated that the {tau}{sub MHD} does not have a strong dependence on the Spitzer resistivity whereas the diffusion time does depend on the classical resistivity. SXR emission mode analysis during the transition from a rotating to a locked plasma shows a decrease in the m=1 Fourier Bastille component of the emissivity. This is due to the flattening of the emissivity profile as seen in the SXR reconstructions.« less

Modified Faraday cup

DOEpatents

Elmer, John W.; Teruya, Alan T.; O'Brien, Dennis W.

1996-01-01

A tomographic technique for measuring the current density distribution in electron beams using electron beam profile data acquired from a modified Faraday cup to create an image of the current density in high and low power beams. The modified Faraday cup includes a narrow slit and is rotated by a stepper motor and can be moved in the x, y and z directions. The beam is swept across the slit perpendicular thereto and controlled by deflection coils, and the slit rotated such that waveforms are taken every few degrees form 0.degree. to 360.degree. and the waveforms are recorded by a digitizing storage oscilloscope. Two-din-tensional and three-dimensional images of the current density distribution in the beam can be reconstructed by computer tomography from this information, providing quantitative information about the beam focus and alignment.

Revealing the correlation between real-space structure and chiral magnetic order at the atomic scale

NASA Astrophysics Data System (ADS)

Hauptmann, Nadine; Dupé, Melanie; Hung, Tzu-Chao; Lemmens, Alexander K.; Wegner, Daniel; Dupé, Bertrand; Khajetoorians, Alexander A.

2018-03-01

We image simultaneously the geometric, the electronic, and the magnetic structures of a buckled iron bilayer film that exhibits chiral magnetic order. We achieve this by combining spin-polarized scanning tunneling microscopy and magnetic exchange force microscopy (SPEX) to independently characterize the geometric as well as the electronic and magnetic structures of nonflat surfaces. This new SPEX imaging technique reveals the geometric height corrugation of the reconstruction lines resulting from strong strain relaxation in the bilayer, enabling the decomposition of the real-space from the electronic structure at the atomic level and the correlation with the resultant spin-spiral ground state. By additionally utilizing adatom manipulation, we reveal the chiral magnetic ground state of portions of the unit cell that were not previously imaged with spin-polarized scanning tunneling microscopy alone. Using density functional theory, we investigate the structural and electronic properties of the reconstructed bilayer and identify the favorable stoichiometry regime in agreement with our experimental result.

Invariom based electron density studies on the C/Si analogues haloperidol/sila-haloperidol and venlafaxine/sila-venlafaxine.

PubMed

Luger, Peter; Dittrich, Birger; Tacke, Reinhold

2015-09-14

The subjects of this study are the structures and electron densities of the carbon/silicon analogues haloperidol/sila-haloperidol (1a/1b) and venlafaxine/sila-venlafaxine (2a/2b). The parent carbon compounds 1a (an antipsychotic agent) and 2a (an antidepressant) are both in clinical use. For haloperidol/sila-haloperidol, three published structures were studied in more detail: the structures of haloperidol hydrochloride (1a·HCl), haloperidol hydropicrate (1a·HPic) and sila-haloperidol hydrochloride (1b·HCl). For venlafaxine/sila-venlafaxine, the published structures of venlafaxine (2a), venlafaxine hydrochloride (2a·HCl; as orthorhombic (2a·HCl-ortho) and monoclinic polymorph (2a·HCl-mono)) and sila-venlafaxine hydrochloride (2b·HCl) were investigated. Based on these structures, the molecular electron densities were reconstructed by using the invariom formalism. They were further analysed in terms of Bader's quantum theory of atoms in molecules, electrostatic potentials mapped onto electron density isosurfaces and Hirshfeld surfaces. These studies were performed with a special emphasis on the comparison of the corresponding carbon/silicon analogues.

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

Grzetic, S; Weldon, M; Noa, K

Purpose: This study compares the newly released MaxFOV Revision 1 EFOV reconstruction algorithm for GE RT590 to the older WideView EFOV algorithm. Two radiotherapy overlays from Q-fix and Diacor, are included in our analysis. Hounsfield Units (HU) generated with the WideView algorithm varied in the extended field (beyond 50cm) and the scanned object’s border varied from slice to slice. A validation of HU consistency between the two reconstruction algorithms is performed. Methods: A CatPhan 504 and CIRS062 Electron Density Phantom were scanned on a GE RT590 CT-Simulator. The phantoms were positioned in multiple locations within the scan field of viewmore » so some of the density plugs were outside the 50cm reconstruction circle. Images were reconstructed using both the WideView and MaxFOV algorithms. The HU for each scan were characterized both in average over a volume and in profile. Results: HU values are consistent between the two algorithms. Low-density material will have a slight increase in HU value and high-density material will have a slight decrease in HU value as the distance from the sweet spot increases. Border inconsistencies and shading artifacts are still present with the MaxFOV reconstruction on the Q-fix overlay but not the Diacor overlay (It should be noted that the Q-fix overlay is not currently GE-certified). HU values for water outside the 50cm FOV are within 40HU of reconstructions at the sweet spot of the scanner. CatPhan HU profiles show improvement with the MaxFOV algorithm as it approaches the scanner edge. Conclusion: The new MaxFOV algorithm improves the contour border for objects outside of the standard FOV when using a GE-approved tabletop. Air cavities outside of the standard FOV create inconsistent object borders. HU consistency is within GE specifications and the accuracy of the phantom edge improves. Further adjustments to the algorithm are being investigated by GE.« less

Sparse-view proton computed tomography using modulated proton beams.

PubMed

Lee, Jiseoc; Kim, Changhwan; Min, Byungjun; Kwak, Jungwon; Park, Seyjoon; Lee, Se Byeong; Park, Sungyong; Cho, Seungryong

2015-02-01

Proton imaging that uses a modulated proton beam and an intensity detector allows a relatively fast image acquisition compared to the imaging approach based on a trajectory tracking detector. In addition, it requires a relatively simple implementation in a conventional proton therapy equipment. The model of geometric straight ray assumed in conventional computed tomography (CT) image reconstruction is however challenged by multiple-Coulomb scattering and energy straggling in the proton imaging. Radiation dose to the patient is another important issue that has to be taken care of for practical applications. In this work, the authors have investigated iterative image reconstructions after a deconvolution of the sparsely view-sampled data to address these issues in proton CT. Proton projection images were acquired using the modulated proton beams and the EBT2 film as an intensity detector. Four electron-density cylinders representing normal soft tissues and bone were used as imaged object and scanned at 40 views that are equally separated over 360°. Digitized film images were converted to water-equivalent thickness by use of an empirically derived conversion curve. For improving the image quality, a deconvolution-based image deblurring with an empirically acquired point spread function was employed. They have implemented iterative image reconstruction algorithms such as adaptive steepest descent-projection onto convex sets (ASD-POCS), superiorization method-projection onto convex sets (SM-POCS), superiorization method-expectation maximization (SM-EM), and expectation maximization-total variation minimization (EM-TV). Performance of the four image reconstruction algorithms was analyzed and compared quantitatively via contrast-to-noise ratio (CNR) and root-mean-square-error (RMSE). Objects of higher electron density have been reconstructed more accurately than those of lower density objects. The bone, for example, has been reconstructed within 1% error. EM-based algorithms produced an increased image noise and RMSE as the iteration reaches about 20, while the POCS-based algorithms showed a monotonic convergence with iterations. The ASD-POCS algorithm outperformed the others in terms of CNR, RMSE, and the accuracy of the reconstructed relative stopping power in the region of lung and soft tissues. The four iterative algorithms, i.e., ASD-POCS, SM-POCS, SM-EM, and EM-TV, have been developed and applied for proton CT image reconstruction. Although it still seems that the images need to be improved for practical applications to the treatment planning, proton CT imaging by use of the modulated beams in sparse-view sampling has demonstrated its feasibility.

Application of generalized singular value decomposition to ionospheric tomography

NASA Astrophysics Data System (ADS)

Bhuyan, K.; Singh, S.; Bhuyan, P.

2004-10-01

The electron density distribution of the low- and mid-latitude ionosphere has been investigated by the computerized tomography technique using a Generalized Singular Value Decomposition (GSVD) based algorithm. Model ionospheric total electron content (TEC) data obtained from the International Reference Ionosphere 2001 and slant relative TEC data measured at a chain of three stations receiving transit satellite transmissions in Alaska, USA are used in this analysis. The issue of optimum efficiency of the GSVD algorithm in the reconstruction of ionospheric structures is being addressed through simulation of the equatorial ionization anomaly (EIA), in addition to its application to investigate complicated ionospheric density irregularities. Results show that the Generalized Cross Validation approach to find the regularization parameter and the corresponding solution gives a very good reconstructed image of the low-latitude ionosphere and the EIA within it. Provided that some minimum norm is fulfilled, the GSVD solution is found to be least affected by considerations, such as pixel size and number of ray paths. The method has also been used to investigate the behaviour of the mid-latitude ionosphere under magnetically quiet and disturbed conditions.

Model based Computerized Ionospheric Tomography in space and time

NASA Astrophysics Data System (ADS)

Tuna, Hakan; Arikan, Orhan; Arikan, Feza

2018-04-01

Reconstruction of the ionospheric electron density distribution in space and time not only provide basis for better understanding the physical nature of the ionosphere, but also provide improvements in various applications including HF communication. Recently developed IONOLAB-CIT technique provides physically admissible 3D model of the ionosphere by using both Slant Total Electron Content (STEC) measurements obtained from a GPS satellite - receiver network and IRI-Plas model. IONOLAB-CIT technique optimizes IRI-Plas model parameters in the region of interest such that the synthetic STEC computations obtained from the IRI-Plas model are in accordance with the actual STEC measurements. In this work, the IONOLAB-CIT technique is extended to provide reconstructions both in space and time. This extension exploits the temporal continuity of the ionosphere to provide more reliable reconstructions with a reduced computational load. The proposed 4D-IONOLAB-CIT technique is validated on real measurement data obtained from TNPGN-Active GPS receiver network in Turkey.

Three-dimensional structural dynamics and fluctuations of DNA-nanogold conjugates by individual-particle electron tomography

DOE PAGES

Zhang, Lei; Lei, Dongsheng; Smith, Jessica M.; ...

2016-03-30

DNA base pairing has been used for many years to direct the arrangement of inorganic nanocrystals into small groupings and arrays with tailored optical and electrical properties. The control of DNA-mediated assembly depends crucially on a better understanding of three-dimensional structure of DNA-nanocrystal-hybridized building blocks. Existing techniques do not allow for structural determination of these flexible and heterogeneous samples. Here we report cryo-electron microscopy and negative-staining electron tomography approaches to image, and three-dimensionally reconstruct a single DNA-nanogold conjugate, an 84-bp double-stranded DNA with two 5-nm nanogold particles for potential substrates in plasmon-coupling experiments. By individual-particle electron tomography reconstruction, we obtainmore » 14 density maps at ~ 2-nm resolution . Using these maps as constraints, we derive 14 conformations of dsDNA by molecular dynamics simulations. The conformational variation is consistent with that from liquid solution, suggesting that individual-particle electron tomography could be an expected approach to study DNA-assembling and flexible protein structure and dynamics.« less

Wigner crystalline edges in ν<~1 quantum dots

NASA Astrophysics Data System (ADS)

Goldmann, Eyal; Renn, Scot R.

1999-12-01

We investigate the edge reconstruction phenomenon believed to occur in quantum dots in the quantum Hall regime when the filling fraction is ν<~1. Our approach involves the examination of large dots (<= 40 electrons) using a partial diagonalization technique in which the occupancies of the deep interior orbitals are frozen. To interpret the results of this calculation, we evaluate the overlap between the diagonalized ground state and a set of trial wave functions which we call projected necklace (PN) states. A PN state is simply the angular momentum projection of a maximum density droplet surrounded by a ring of localized electrons. Our calculations reveal that PN states have up to 99% overlap with the diagonalized ground states, and are lower in energy than the states identified in Chamon and Wen's study of the edge reconstruction.

Ionospheric tomography using Faraday rotation of Automatic Dependent Surveillance Broadcast (UHF) signals Ionospheric Measurement From ADS-B Signals

NASA Astrophysics Data System (ADS)

Cushley, Alex Clay

The proposed launch of a CubeSat carrying the first space-borne ADS-B receiver by RMCC will create a unique opportunity to study the modification of radio waves following propagation through the ionosphere as the signals propagate from the transmitting aircraft to the passive satellite receiver(s). Experimental work is described which successfully demonstrated that ADS-B data can be used to reconstruct two-dimensional electron density maps of the ionosphere using techniques from computerized tomography. Ray-tracing techniques are used to determine the characteristics of individual waves, including the wave path and the state of polarization at the satellite receiver. The modelled Faraday rotation is determined and converted to TEC along the ray-paths. The resulting TEC is used as input for CIT using ART. This study concentrated on meso-scale structures 100--1000 km in horizontal extent. The primary scientific interest of this thesis was to show the feasibility of a new method to image the ionosphere and obtain a better understanding of magneto-ionic wave propagation. Keywords: Automatic Dependent Surveillance-Broadcast (ADS-B), Faraday rotation, electromagnetic (EM) waves, radio frequency (RF) propagation, ionosphere (auroral, irregularities, instruments and techniques), electron density profile, total electron content (TEC), computer ionospheric tomography (CIT), algebraic reconstruction technique (ART).

Modified Faraday cup

DOEpatents

Elmer, J.W.; Teruya, A.T.; O`Brien, D.W.

1996-09-10

A tomographic technique for measuring the current density distribution in electron beams using electron beam profile data acquired from a modified Faraday cup to create an image of the current density in high and low power beams is disclosed. The modified Faraday cup includes a narrow slit and is rotated by a stepper motor and can be moved in the x, y and z directions. The beam is swept across the slit perpendicular thereto and controlled by deflection coils, and the slit rotated such that waveforms are taken every few degrees from 0{degree} to 360{degree} and the waveforms are recorded by a digitizing storage oscilloscope. Two-dimensional and three-dimensional images of the current density distribution in the beam can be reconstructed by computer tomography from this information, providing quantitative information about the beam focus and alignment. 12 figs.

Direct visualization of quasi-ordered oxygen chain structures on Au(110)-(1 × 2)

NASA Astrophysics Data System (ADS)

Hiebel, F.; Montemore, M. M.; Kaxiras, E.; Friend, C. M.

2016-08-01

The Au(110) surface offers unique advantages for atomically-resolved model studies of catalytic oxidation processes on gold. We investigate the adsorption of oxygen on Au(110) using a combination of scanning tunneling microscopy (STM) and density functional theory (DFT) methods. We identify the typical (empty-states) STM contrast resulting from adsorbed oxygen as atomic-sized dark features of electronic origin. DFT-based image simulations confirm that chemisorbed oxygen is generally detected indirectly, from the binding-induced electronic structure modification of gold. STM images show that adsorption occurs without affecting the general structure of the pristine Au(110) missing-row reconstruction. The tendency to form one-dimensional structures is observed already at low coverage (< 0.05 ML), with oxygen adsorbing on alternate sides of the reconstruction ridges. Consistently, calculations yield preferred adsorption on the (111) facets of the reconstruction, on a 3-fold coordination site, with increased stability when adsorbed in chains. Gold atoms with two oxygen neighbors exhibit enhanced electronic hybridization with the O states. Finally, the species observed are reactive to CO oxidation at 200 K and desorption of CO2 leaves a clean and ordered gold surface.

Developing a denoising filter for electron microscopy and tomography data in the cloud.

PubMed

Starosolski, Zbigniew; Szczepanski, Marek; Wahle, Manuel; Rusu, Mirabela; Wriggers, Willy

2012-09-01

The low radiation conditions and the predominantly phase-object image formation of cryo-electron microscopy (cryo-EM) result in extremely high noise levels and low contrast in the recorded micrographs. The process of single particle or tomographic 3D reconstruction does not completely eliminate this noise and is even capable of introducing new sources of noise during alignment or when correcting for instrument parameters. The recently developed Digital Paths Supervised Variance (DPSV) denoising filter uses local variance information to control regional noise in a robust and adaptive manner. The performance of the DPSV filter was evaluated in this review qualitatively and quantitatively using simulated and experimental data from cryo-EM and tomography in two and three dimensions. We also assessed the benefit of filtering experimental reconstructions for visualization purposes and for enhancing the accuracy of feature detection. The DPSV filter eliminates high-frequency noise artifacts (density gaps), which would normally preclude the accurate segmentation of tomography reconstructions or the detection of alpha-helices in single-particle reconstructions. This collaborative software development project was carried out entirely by virtual interactions among the authors using publicly available development and file sharing tools.

Ensemble Density Functional Approach to the Quantum Hall Effect

NASA Astrophysics Data System (ADS)

Heinonen, O.

1997-03-01

The fractional quantum Hall effect (FQHE) occurs in a two-dimensional electron gas of density n when a strong magnetic field perpendicular to the plane of the electron gas takes on certain strengths B(n). At these magnetic field strengths the system is incompressible, i.e., there is a finite cost in energy for creating charge density fluctuations in the bulk. Even so the boundary of the electron gas supports gapless modes of density waves. The bulk energy gap arises because of the strong electron-electron interactions. There are very good models for infinite homogeneous systems and for the gapless excitations of the boundary of the electron gas. But in order to explain experiments on quantum Hall systems, including Hall bars and quantum dots, new approaches are needed which can accurately describe inhomogeneous systems, including Landau level mixing and the spin degree of freedom. One possibility is an ensemble density functional theory approach that we have developed.(O. Heinonen, M.I. Lubin, and M.D. Johnson, Phys. Rev. Lett. 75), 4110 (1995)(O. Heinonen, M.I. Lubin, and M.D. Johnson, Int. J. Quant. Chem, December 1996) We have applied this to study edge reconstructions of spin-polarized quantum dots. The results for a six-electron test case are in excellent agreement with numerical diagonalizations. For larger systems, compressible and incompressible strips appear as the magnetic field is increased from the region in which a dot forms a compact so-called maximum density droplet. We have recently included spin degree of freedom to study the stability of a maximum density droplet, and charge-spin textures in inhomogeneous systems. As an example, when the Zeeman coupling is decreased, we find that the maximum density droplet develops a spin-structured edge instability. This implies that the spin degree of freedom may play a significant role in the study of edge modes at low or moderate magnetic fields.

Tip-induced reduction of the resonant tunneling current on semiconductor surfaces.

PubMed

Jelínek, Pavel; Svec, Martin; Pou, Pablo; Perez, Ruben; Cháb, Vladimír

2008-10-24

We report scanning tunneling microscope measurements showing a substantial decrease of the current, almost to zero, on the Si(111)-(7x7) reconstruction in the near-to-contact region under low bias conditions. First principles simulations for the tip-sample interaction and transport calculations show that this effect is driven by the substantial local modification of the atomic and electronic structure of the surface. The chemical reactivity of the adatom dangling bond states that dominate the electronic density of states close to the Fermi level and their spatial localization result in a strong modification of the electronic current.

How the Electronic Structure in URu2Si2 Changes with Temperature: A High-Resolution Compton Scattering Study

NASA Astrophysics Data System (ADS)

Koizumi, Akihisa; Kubo, Yasunori; Motoyama, Gaku; Yamamura, Tomoo; Sakurai, Yoshiharu

2018-06-01

We have measured directional Compton profiles on the (001) plane in URu2Si2 single crystal at several temperatures. Two-dimensional electron occupation number densities (2D-EONDs) were obtained from the profiles through electron momentum reconstruction and Lock-Crisp-West folding analyses. We have also performed band calculations based on 5f-electron itinerant and localized models and derived theoretical 2D-EONDs for comparison. The experimental 2D-EOND at 300 K is well described by the localized model, and the 2D-EOND at 10 K is consistent with the theoretical one based on the itinerant model. The difference between 2D-EONDs at 30 and 100 K reflects a gradual change in the electronic structure, which reveals some of the crossover phenomena from localized to itinerant states. The change from localized to itinerant states is also reflected in a B(r) function, which is obtained in the reconstruction analysis and is an autocorrelation function of the wave function in the position space. The process by which the electronic structure in URu2Si2 changes is demonstrated through a series of experimental results.

Quantitative determination of the mineral distribution in different collagen zones of calcifying tendon using high voltage electron microscopic tomography

NASA Technical Reports Server (NTRS)

McEwen, B. F.; Song, M. J.; Landis, W. J.

1991-01-01

High voltage electron microscopic tomography was used to make the first quantitative determination of the distribution of mineral between different regions of collagen fibrils undergoing early calcification in normal leg tendons of the domestic turkey, Meleagris gallopavo. The tomographic 3-D reconstruction was computed from a tilt series of 61 different views spanning an angular range of +/- 60 degrees in 2 degrees intervals. Successive applications of an interactive computer operation were used to mask the collagen banding pattern of either hole or overlap zones into separate versions of the reconstruction. In such 3-D volumes, regions specified by the mask retained their original image density while the remaining volume was set to background levels. This approach was also applied to the mineral crystals present in the same volumes to yield versions of the 3-D reconstructions that were masked for both the crystal mass and the respective collagen zones. Density profiles from these volumes contained a distinct peak corresponding only to the crystal mass. A comparison of the integrated density of this peak from each profile established that 64% of the crystals observed were located in the collagen hole zones and 36% were found in the overlap zones. If no changes in crystal stability occur once crystals are formed, this result suggests the possibilities that nucleation of mineral is preferentially and initially associated with the hole zones, nucleation occurs more frequently in the hole zones, the rate of crystal growth is more rapid in the hole zones, or a combination of these alternatives. All lead to the conclusion that the overall accumulation of mineral mass is predominant in the collagen hole zones compared to overlap zones during early collagen fibril calcification.

High Resolution Reconstruction of the Ionosphere for SAR Applications

NASA Astrophysics Data System (ADS)

Minkwitz, David; Gerzen, Tatjana; Hoque, Mainul

2014-05-01

Caused by ionosphere's strong impact on radio signal propagation, high resolution and highly accurate reconstructions of the ionosphere's electron density distribution are demanded for a large number of applications, e.g. to contribute to the mitigation of ionospheric effects on Synthetic Aperture Radar (SAR) measurements. As a new generation of remote sensing satellites the TanDEM-L radar mission is planned to improve the understanding and modelling ability of global environmental processes and ecosystem change. TanDEM-L will operate in L-band with a wavelength of approximately 24 cm enabling a stronger penetration capability compared to X-band (3 cm) or C-band (5 cm). But accompanied by the lower frequency of the TanDEM-L signals the influence of the ionosphere will increase. In particular small scale irregularities of the ionosphere might lead to electron density variations within the synthetic aperture length of the TanDEM-L satellite and in turn might result into blurring and azimuth pixel shifts. Hence the quality of the radar image worsens if the ionospheric effects are not mitigated. The Helmholtz Alliance project "Remote Sensing and Earth System Dynamics" (EDA) aims in the preparation of the HGF centres and the science community for the utilisation and integration of the TanDEM-L products into the study of the Earth's system. One significant point thereby is to cope with the mentioned ionospheric effects. Therefore different strategies towards achieving this objective are pursued: the mitigation of the ionospheric effects based on the radar data itself, the mitigation based on external information like global Total Electron Content (TEC) maps or reconstructions of the ionosphere and the combination of external information and radar data. In this presentation we describe the geostatistical approach chosen to analyse the behaviour of the ionosphere and to provide a high resolution 3D electron density reconstruction. As first step the horizontal structure of the ionosphere is studied in space and time on the base of ground-based TEC measurements in the European region. In order to determine the correlation of measurements at different locations or points of time the TEC measurements are subtracted by a base model to define a stationary random field. We outline the application of the NeQuick model and the final IGS TEC maps as background and show first results regarding the distribution and the stationarity of the resulting residuals. Moreover, the occurred problems and questions are discussed and finally an outlook towards the next modelling steps is presented.

Propagation distance-resolved characteristics of filament-induced copper plasma

DOE PAGES

Ghebregziabher, Isaac; Hartig, Kyle C.; Jovanovic, Igor

2016-03-02

Copper plasma generated at different filament-copper interaction points was characterized by spectroscopic, acoustic, and imaging measurements. The longitudinal variation of the filament intensity was qualitatively determined by acoustic measurements in air. The maximum plasma temperature was measured at the location of peak filament intensity, corresponding to the maximum mean electron energy during plasma formation. The highest copper plasma density was measured past the location of the maximum electron density in the filament, where spectral broadening of the filament leads to enhanced ionization. Acoustic measurements in air and on solid target were correlated to reconstructed plasma properties. Lastly, optimal line emissionmore » is measured near the geometric focus of the lens used to produce the filament.« less

Column-like EED extending from equatorial topside ionosphere toward plasmasphere retrieved from IGS and LEO/GPS observations with 3-D CT inversion

NASA Astrophysics Data System (ADS)

Xiao, R.; Ma, S. Y.; Xu, J. S.; Xiong, C.; Luehr, H.; Jakowski, N.

2010-05-01

The electron density distributions in the equatorial ionosphere are retrieved from GPS observations of joint ground-based IGS and onboard CHAMP/GRACE satellites during November 2004 super-storm by 3-D tomography technique. For LEO satellite-based GPS receiving, both the occultation TEC data and that along the radio propagation paths above the LEO are used and assimilated into the huge IGS TEC dataset. The electron density images are reconstructed for different sectors of America, Asia and Europe and produced for every hour. The retrieved electron densities are validated by satellite in situ measurements of CHAMP Langmuir probe and GRACE Ka-band SST (low-low satellite-to-satellite tracking) derived electron density averaged between the two satellites, as well as by numerical simulations. It reveals some very interesting storm-time structures of Ne distributions, such as top-hat-like F2-3 double layer and column-like enhanced electron densities (CEED). The CEED are found during the main phase of the storm near the minimum of Dst and in the longitudinal sector centered at 157E. They extend from the topside ionosphere toward to plasmasphere, reaching at least about 2000 km as high. The footprints of the CEED stand on the two peaks of the EIA. The forming mechanism of CEED and its relationship with SED and plasmaspheric plumes are worthy of further study. This work is supported by NSFC (No.40674078).

A new inversion algorithm for HF sky-wave backscatter ionograms

NASA Astrophysics Data System (ADS)

Feng, Jing; Ni, Binbin; Lou, Peng; Wei, Na; Yang, Longquan; Liu, Wen; Zhao, Zhengyu; Li, Xue

2018-05-01

HF sky-wave backscatter sounding system is capable of measuring the large-scale, two-dimensional (2-D) distributions of ionospheric electron density. The leading edge (LE) of a backscatter ionogram (BSI) is widely used for ionospheric inversion since it is hardly affected by any factors other than ionospheric electron density. Traditional BSI inversion methods have failed to distinguish LEs associated with different ionospheric layers, and simply utilize the minimum group path of each operating frequency, which generally corresponds to the LE associated with the F2 layer. Consequently, while the inversion results can provide accurate profiles of the F region below the F2 peak, the diagnostics may not be so effective for other ionospheric layers. In order to resolve this issue, we present a new BSI inversion method using LEs associated with different layers, which can further improve the accuracy of electron density distribution, especially the profile of the ionospheric layers below the F2 region. The efficiency of the algorithm is evaluated by computing the mean and the standard deviation of the differences between inverted parameter values and true values obtained from both vertical and oblique incidence sounding. Test results clearly manifest that the method we have developed outputs more accurate electron density profiles due to improvements to acquire the profiles of the layers below the F2 region. Our study can further improve the current BSI inversion methods on the reconstruction of 2-D electron density distribution in a vertical plane aligned with the direction of sounding.

Tubular Crystals and Helical Arrays: Structural Determination of HIV-1 Capsid Assemblies Using Iterative Helical Real-Space Reconstruction

PubMed Central

Zhang, Peijun; Meng, Xin; Zhao, Gongpu

2013-01-01

Helical structures are important in many different life forms and are well-suited for structural studies by cryo-EM. A unique feature of helical objects is that a single projection image contains all the views needed to perform a three-dimensional (3D) crystallographic reconstruction. Here, we use HIV-1 capsid assemblies to illustrate the detailed approaches to obtain 3D density maps from helical objects. Mature HIV-1 particles contain a conical- or tubular-shaped capsid that encloses the viral RNA genome and performs essential functions in the virus life cycle. The capsid is composed of capsid protein (CA) oligomers which are helically arranged on the surface. The N-terminal domain (NTD) of CA is connected to its C-terminal domain (CTD) through a flexible hinge. Structural analysis of two- and three-dimensional crystals provided molecular models of the capsid protein (CA) and its oligomer forms. We determined the 3D density map of helically assembled HIV-1 CA hexamers at 16 Å resolution using an iterative helical real-space reconstruction method. Docking of atomic models of CA-NTD and CA-CTD dimer into the electron density map indicated that the CTD dimer interface is retained in the assembled CA. Furthermore, molecular docking revealed an additional, novel CTD trimer interface. PMID:23132072

Collagen-grafted porous HDPE/PEAA scaffolds for bone reconstruction.

PubMed

Kim, Chang-Shik; Jung, Kyung-Hye; Kim, Hun; Kim, Chan-Bong; Kang, Inn-Kyu

2016-01-01

After tumor resection, bone reconstruction such as skull base reconstruction using interconnected porous structure is absolutely necessary. In this study, porous scaffolds for bone reconstruction were prepared using heat-pressing and salt-leaching methods. High-density polyethylene (HDPE) and poly(ethylene-co-acrylic acid) (PEAA) were chosen as the polymer composites for producing a porous scaffold of high mechanical strength and having high reactivity with biomaterials such as collagen, respectively. The porous structure was observed through surface images, and its intrusion volume and porosity were measured. Owing to the carboxylic acids on PEAA, collagen was successfully grafted onto the porous HDPE/PEAA scaffold, which was confirmed by FT-IR spectroscopy and electron spectroscopy for chemical analysis. Osteoblasts were cultured on the collagen-grafted porous scaffold, and their adhesion, proliferation, and differentiation were investigated. The high viability and growth of the osteoblasts suggest that the collagen-grafted porous HDPE/PEAA is a promising scaffold material for bone generation.

Signal acquisition and scale calibration for beam power density distribution of electron beam welding

NASA Astrophysics Data System (ADS)

Peng, Yong; Li, Hongqiang; Shen, Chunlong; Guo, Shun; Zhou, Qi; Wang, Kehong

2017-06-01

The power density distribution of electron beam welding (EBW) is a key factor to reflect the beam quality. The beam quality test system was designed for the actual beam power density distribution of high-voltage EBW. After the analysis of characteristics and phase relationship between the deflection control signal and the acquisition signal, the Post-Trigger mode was proposed for the signal acquisition meanwhile the same external clock source was shared by the control signal and the sampling clock. The power density distribution of beam cross-section was reconstructed using one-dimensional signal that was processed by median filtering, twice signal segmentation and spatial scale calibration. The diameter of beam cross-section was defined by amplitude method and integral method respectively. The measured diameter of integral definition is bigger than that of amplitude definition, but for the ideal distribution the former is smaller than the latter. The measured distribution without symmetrical shape is not concentrated compared to Gaussian distribution.

Does sterilization with fractionated electron beam irradiation prevent ACL tendon allograft from tissue damage?

PubMed

Schmidt, T; Grabau, D; Grotewohl, J H; Gohs, U; Pruß, A; Smith, M; Scheffler, S; Hoburg, A

2017-02-01

Allografts are frequently used for anterior cruciate ligament (ACL) reconstruction. However, due to the inherent risk of infection, a method that achieves complete sterilization of grafts is warranted without impairing their biomechanical properties. Fractionation of electron beam (FEbeam) irradiation has been shown to maintain similar biomechanical properties compared to fresh-frozen allografts (FFA) in vitro. Therefore, aim of this study was to evaluate the biomechanical properties and early remodelling of grafts that were sterilized with fractionated high-dose electron beam irradiation in an in vivo sheep model. ACL reconstruction was performed in 18 mature merino mix sheep. Sixteen were reconstructed with allografts sterilized with FEbeam irradiation (8 × 3.4 kGy) and two with FFA. Eight FFA from prior studies with identical surgical reconstruction and biomechanical and histological analyzes served as controls. Half of the animals were sacrificed at 6 and 12 weeks, and biomechanical testing was performed. Anterior-posterior laxity (APL) was assessed with an AP drawer test at 60° flexion, and load to failure testing was carried out. Histological evaluation of mid-substance samples was performed for descriptive analysis, cell count, crimp and vessel density. For statistical analysis a Kruskal-Wallis test was used for overall group comparison followed by a Mann-Whitney U test for pairwise comparison of the histological and biomechanical parameters. Biomechanical testing showed significantly decreased stiffness in FEbeam compared to FFA at both time points (p ≤ 0.004). APL was increased in FEbeam compared to FFA, which was significant at 6 weeks (p = 0.004). Median of failure loads was decreased in FEbeam grafts, with 12 reconstructions already failing during cyclic loading. Vessel density was decreased in FEbeam compared to FFA at both time points, with significant differences at 12 weeks (p = 0.015). Crimp length was significantly shorter in FEbeam compared to FFA at both time points (p ≤ 0.004) and decreased significantly in both groups from 6 to 12 weeks (p ≤ 0.025). ACL reconstruction with fractionated Ebeam sterilization significantly alters the biomechanical properties and the early remodelling process of treated grafts in vivo. Therefore, this sterilization method cannot be recommended for clinical application. As substantial changes in the remodelling are inherent in this study, care in the rehabilitation of even low-dose sterilized allografts, used for ACL reconstruction, is recommended.

Edge reconstruction in armchair phosphorene nanoribbons revealed by discontinuous Galerkin density functional theory.

PubMed

Hu, Wei; Lin, Lin; Yang, Chao

2015-12-21

With the help of our recently developed massively parallel DGDFT (Discontinuous Galerkin Density Functional Theory) methodology, we perform large-scale Kohn-Sham density functional theory calculations on phosphorene nanoribbons with armchair edges (ACPNRs) containing a few thousands to ten thousand atoms. The use of DGDFT allows us to systematically achieve a conventional plane wave basis set type of accuracy, but with a much smaller number (about 15) of adaptive local basis (ALB) functions per atom for this system. The relatively small number of degrees of freedom required to represent the Kohn-Sham Hamiltonian, together with the use of the pole expansion the selected inversion (PEXSI) technique that circumvents the need to diagonalize the Hamiltonian, results in a highly efficient and scalable computational scheme for analyzing the electronic structures of ACPNRs as well as their dynamics. The total wall clock time for calculating the electronic structures of large-scale ACPNRs containing 1080-10,800 atoms is only 10-25 s per self-consistent field (SCF) iteration, with accuracy fully comparable to that obtained from conventional planewave DFT calculations. For the ACPNR system, we observe that the DGDFT methodology can scale to 5000-50,000 processors. We use DGDFT based ab initio molecular dynamics (AIMD) calculations to study the thermodynamic stability of ACPNRs. Our calculations reveal that a 2 × 1 edge reconstruction appears in ACPNRs at room temperature.

Pressure profiles of plasmas confined in the field of a dipole magnet

NASA Astrophysics Data System (ADS)

Davis, Matthew Stiles

Understanding the maintenance and stability of plasma pressure confined by a strong magnetic field is a fundamental challenge in both laboratory and space plasma physics. Using magnetic and X-ray measurements on the Levitated Dipole Experiment (LDX), the equilibrium plasma pressure has been reconstructed, and variations of the plasma pressure for different plasma conditions have been examined. The relationship of these profiles to the magnetohydrodynamic (MHD) stability limit, and to the enhanced stability limit that results from a fraction of energetic trapped electrons, has been analyzed. In each case, the measured pressure profiles and the estimated fractional densities of energetic electrons were qualitatively consistent with expectations of plasma stability. LDX confines high temperature and high pressure plasma in the field of a superconducting dipole magnet. The strong dipole magnet can be either mechanically supported or magnetically levitated. When the dipole was mechanically supported, the plasma density profile was generally uniform while the plasma pressure was highly peaked. The uniform density was attributed to the thermal plasma being rapidly lost along the field to the mechanical supports. In contrast, the strongly peaked plasma pressure resulted from a fraction of energetic, mirror trapped electrons created by microwave heating at the electron cyclotron resonance (ECRH). These hot electrons are known to be gyrokinetically stabilized by the background plasma and can adopt pressure profiles steeper than the MHD limit. X-ray measurements indicated that this hot electron population could be described by an energy distribution in the range 50-100 keV. Combining information from the magnetic reconstruction of the pressure profile, multi-chord interferometer measurements of the electron density profile, and X-ray measurements of the hot electron energy distribution, the fraction of energetic electrons at the pressure peak was estimated to be ˜ 35% of the total electron population. When the dipole was magnetically levitated the plasma density increased substantially because particle losses to the mechanical supports were eliminated so particles could only be lost via slower cross-field transport processes. The pressure profile was observed to be broader during levitated operation than it was during supported operation, and the pressure appeared to be contained in both a thermal population and an energetic electron population. X-ray spectra indicated that the X-rays came from a similar hot electron population during levitated and supported operation; however, the hot electron fraction was an order of magnitude smaller during levitated operation (<3% of the total electron population). Pressure gradients for both supported and levitated plasmas were compared to the MHD limit. Levitated plasmas had pressure profiles that were (i) steeper than, (ii) shallower than, or (iii) near the MHD limit dependent on plasma conditions. However, those profiles that exceeded the MHD limit were observed to have larger fractions of energetic electrons. When the dipole magnet was supported, high pressure plasmas always had profiles that exceeded the MHD interchange stability limit, but the high pressure in these plasmas appeared to arise entirely from a population of energetic trapped electrons.

3D electron density distributions in the solar corona during solar minima: assessment for more realistic solar wind modeling

NASA Astrophysics Data System (ADS)

de Patoul, J.; Foullon, C.; Riley, P.

2015-12-01

Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling, and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996-1997 and 2008-2010), devoid of coronal mass ejections. We derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method. First we compare the density distributions obtained from tomography with magnetohydrodynamic (MHD) solutions. The tomography provides more accurate distributions of electron densities in the polar regions, and we find that the observed density varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We conclude that tomography offers reliable density distribution in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how it is magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in-situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus. This research combined with the MHD coronal modeling efforts has the potential to increase the reliability for future space weather forecasting.

A TRACER METHOD FOR COMPUTING TYPE IA SUPERNOVA YIELDS: BURNING MODEL CALIBRATION, RECONSTRUCTION OF THICKENED FLAMES, AND VERIFICATION FOR PLANAR DETONATIONS

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

Townsley, Dean M.; Miles, Broxton J.; Timmes, F. X.

2016-07-01

We refine our previously introduced parameterized model for explosive carbon–oxygen fusion during thermonuclear Type Ia supernovae (SNe Ia) by adding corrections to post-processing of recorded Lagrangian fluid-element histories to obtain more accurate isotopic yields. Deflagration and detonation products are verified for propagation in a medium of uniform density. A new method is introduced for reconstructing the temperature–density history within the artificially thick model deflagration front. We obtain better than 5% consistency between the electron capture computed by the burning model and yields from post-processing. For detonations, we compare to a benchmark calculation of the structure of driven steady-state planar detonationsmore » performed with a large nuclear reaction network and error-controlled integration. We verify that, for steady-state planar detonations down to a density of 5 × 10{sup 6} g cm{sup −3}, our post-processing matches the major abundances in the benchmark solution typically to better than 10% for times greater than 0.01 s after the passage of the shock front. As a test case to demonstrate the method, presented here with post-processing for the first time, we perform a two-dimensional simulation of a SN Ia in the scenario of a Chandrasekhar-mass deflagration–detonation transition (DDT). We find that reconstruction of deflagration tracks leads to slightly more complete silicon burning than without reconstruction. The resulting abundance structure of the ejecta is consistent with inferences from spectroscopic studies of observed SNe Ia. We confirm the absence of a central region of stable Fe-group material for the multi-dimensional DDT scenario. Detailed isotopic yields are tabulated and change only modestly when using deflagration reconstruction.« less

Simulations in support of the T4B experiment

NASA Astrophysics Data System (ADS)

Qerushi, Artan; Ross, Patrick; Lohff, Chriss; Raymond, Anthony; Montecalvo, Niccolo

2017-10-01

Simulations in support of the T4B experiment are presented. These include a Grad-Shafranov equilibrium solver and equilibrium reconstruction from flux-loop measurements, collision radiative models for plasma spectroscopy (determination of electron density and temperature from line ratios) and fast ion test particle codes for neutral beam - plasma coupling. ©2017 Lockheed Martin Corporation. All Rights Reserved.

Systematic implementation of spectral CT with a photon counting detector for liquid security inspection

NASA Astrophysics Data System (ADS)

Xu, Xiaofei; Xing, Yuxiang; Wang, Sen; Zhang, Li

2018-06-01

X-ray liquid security inspection system plays an important role in homeland security, while the conventional dual-energy CT (DECT) system may have a big deviation in extracting the atomic number and the electron density of materials in various conditions. Photon counting detectors (PCDs) have the capability of discriminating the incident photons of different energy. The technique becomes more and more mature in nowadays. In this work, we explore the performance of a multi-energy CT imaging system with a PCD for liquid security inspection in material discrimination. We used a maximum-likelihood (ML) decomposition method with scatter correction based on a cross-energy response model (CERM) for PCDs so that to improve the accuracy of atomic number and electronic density imaging. Experimental study was carried to examine the effectiveness and robustness of the proposed system. Our results show that the concentration of different solutions in physical phantoms can be reconstructed accurately, which could improve the material identification compared to current available dual-energy liquid security inspection systems. The CERM-base decomposition and reconstruction method can be easily used to different applications such as medical diagnosis.

Free-electron-laser coherent diffraction images of individual drug-carrying liposome particles in solution.

PubMed

Huang, Chi-Feng; Liang, Keng S; Hsu, Tsui-Ling; Lee, Tsung-Tse; Chen, Yi-Yun; Yang, Shun-Min; Chen, Hsiang-Hsin; Huang, Shih-Hsin; Chang, Wei-Hau; Lee, Ting-Kuo; Chen, Peilin; Peng, Kuei-En; Chen, Chien-Chun; Shi, Cheng-Zhi; Hu, Yu-Fang; Margaritondo, Giorgio; Ishikawa, Tetsuya; Wong, Chi-Huey; Hwu, Y

2018-02-08

Using the excellent performances of a SACLA (RIKEN/HARIMA, Japan) X-ray free electron laser (X-FEL), coherent diffraction imaging (CDI) was used to detect individual liposome particles in water, with or without inserted doxorubicin nanorods. This was possible because of the electron density differences between the carrier, the liposome, and the drug. The result is important since liposome nanocarriers at present dominate drug delivery systems. In spite of the low cross-section of the original ingredients, the diffracted intensity of drug-free liposomes was sufficient for spatial reconstruction yielding quantitative structural information. For particles containing doxorubicin, the structural parameters of the nanorods could be extracted from CDI. Furthermore, the measurement of the electron density of the solution enclosed in each liposome provides direct evidence of the incorporation of ammonium sulphate into the nanorods. Overall, ours is an important test for extending the X-FEL analysis of individual nanoparticles to low cross-sectional systems in solution, and also for its potential use to optimize the manufacturing of drug nanocarriers.

Ionospheric tomography over South Africa: Comparison of MIDAS and ionosondes measurements

NASA Astrophysics Data System (ADS)

Giday, Nigussie M.; Katamzi, Zama T.; McKinnell, Lee-Anne

2016-01-01

This paper aims to show the results of an ionospheric tomography algorithm called Multi-Instrument Data Analysis System (MIDAS) over the South African region. Recorded data from a network of 49-53 Global Positioning System (GPS) receivers over the South African region was used as input for the inversion. The inversion was made for April, July, October and December representing the four distinct seasons (Autumn, Winter, Spring and Summer respectively) of the year 2012. MIDAS reconstructions were validated by comparing maximum electron density of the F2 layer (NmF2) and peak height (hmF2) values predicted by MIDAS to those derived from three South African ionosonde measurements. The diurnal and seasonal trends of the MIDAS NmF2 values were in good agreement with the respective NmF2 values derived from the ionosondes. In addition, good agreement was found between the two measurements with minimum and maximum coefficients of determination (r2) between 0.84 and 0.96 in all the stations and validation days. The seasonal trend of the NmF2 values over the South Africa region has been reproduced using this inversion which was in good agreement with the ionosonde measurements. Moreover, a comparison of the International Reference Ionosphere (IRI-2012) model NmF2 values with the respective ionosonde derived NmF2 values showed to have higher deviation than a similar comparison between the MIDAS reconstruction and the ionosonde measurements. However, the monthly averaged hmF2 values derived from IRI 2012 model showed better agreement than the respective MIDAS reconstructed hmF2 values compared with the ionosonde derived hmF2 values.The performance of the MIDAS reconstruction was observed to deteriorate with increased geomagnetic conditions. MIDAS reconstructed electron density were slightly elevated during three storm periods studied (24 April, 15 July and 8 October) which was in good agreement with the ionosonde measurements.

Comparative Validation of Realtime Solar Wind Forecasting Using the UCSD Heliospheric Tomography Model

NASA Technical Reports Server (NTRS)

MacNeice, Peter; Taktakishvili, Alexandra; Jackson, Bernard; Clover, John; Bisi, Mario; Odstrcil, Dusan

2011-01-01

The University of California, San Diego 3D Heliospheric Tomography Model reconstructs the evolution of heliospheric structures, and can make forecasts of solar wind density and velocity up to 72 hours in the future. The latest model version, installed and running in realtime at the Community Coordinated Modeling Center(CCMC), analyzes scintillations of meter wavelength radio point sources recorded by the Solar-Terrestrial Environment Laboratory(STELab) together with realtime measurements of solar wind speed and density recorded by the Advanced Composition Explorer(ACE) Solar Wind Electron Proton Alpha Monitor(SWEPAM).The solution is reconstructed using tomographic techniques and a simple kinematic wind model. Since installation, the CCMC has been recording the model forecasts and comparing them with ACE measurements, and with forecasts made using other heliospheric models hosted by the CCMC. We report the preliminary results of this validation work and comparison with alternative models.

High-Latitude Ionospheric Imaging using Canadian High Arctic Ionospheric Network (CHAIN)

NASA Astrophysics Data System (ADS)

Meziane, K.; Jayachandran, P. T.; Hamza, A. M.; MacDougall, J. W.

2013-12-01

Understanding the polar cap dynamics is a fundamental problem in solar-terrestrial physics; any breakthroughs would have to take into account the interactions that take place at the interfaces between the Solar Wind and the Magnetosphere and between the latter and the ionosphere, respectively. Over the past decade a significant number of ground-based GPS receivers and digital ionosondes have been deployed in the polar cap and auroral region. This deployment has allowed the harvest of much needed data, otherwise not available, which in turn helps understand the dynamics of the polar ionospheric regions. A technique, used consistently by researchers in the field, consists of inverting the Total Electron Content (TEC) along the ray path obtained from a system of GPS receivers. In the present study, a combination of tomography and ionosonde data from the CHAIN network is used to examine the dynamics of polar cap patches. First, the TEC derived from GPS receivers through tomographic reconstruction is directly compared with ionosonde data. The comparison includes periods of quite and disturbed geomagnetic activity. We then use the vertical density profiles derived from the CHAIN ionosondes as initial seeds for the reconstruction of the tomographic images of the polar cap regions. Precise electron density peaks obtained through the tomographic reconstruction fall within a range that is consistent with direct CHAIN measurements when certain conditions are met. An assessment of the performance of the resulting combination of GPS and ionosonde data is performed, and conclusions are presented.

Adjustments of the TaD electron density reconstruction model with GNSS-TEC parameters for operational application purposes

NASA Astrophysics Data System (ADS)

Kutiev, Ivan; Marinov, Pencho; Fidanova, Stefka; Belehaki, Anna; Tsagouri, Ioanna

2012-12-01

Validation results on the latest version of TaD model (TaDv2) show realistic reconstruction of the electron density profiles (EDPs) with an average error of 3 TECU, similar to the error obtained from GNSS-TEC calculated paremeters. The work presented here has the aim to further improve the accuracy of the TaD topside reconstruction, adjusting the TEC parameter calculated from TaD model with the TEC parameter calculated by GNSS transmitting RINEX files provided by receivers co-located with the Digisondes. The performance of the new version is tested during a storm period demonstrating further improvements in respect to the previous version. Statistical comparison of modeled and observed TEC confirms the validity of the proposed adjustment. A significant benefit of the proposed upgrade is that it facilitates the real-time implementation of TaD. The model needs a reliable measure of the scale height at the peak height, which is supposed to be provided by Digisondes. Oftenly, the automatic scaling software fails to correctly calculate the scale height at the peak, Hm, due to interferences in the receiving signal. Consequently the model estimated topside scale height is wrongly calculated leading to unrealistic results for the modeled EDP. The proposed TEC adjustment forces the model to correctly reproduce the topside scale height, despite the inaccurate values of Hm. This adjustment is very important for the application of TaD in an operational environment.

A new apparatus for electron tomography in the scanning electron microscope

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

Morandi, V., E-mail: morandi@bo.imm.cnr.it; Maccagnani, P.; Masini, L.

2015-06-23

The three-dimensional reconstruction of a microscopic specimen has been obtained by applying the tomographic algorithm to a set of images acquired in a Scanning Electron Microscope. This result was achieved starting from a series of projections obtained by stepwise rotating the sample under the beam raster. The Scanning Electron Microscope was operated in the scanning-transmission imaging mode, where the intensity of the transmitted electron beam is a monotonic function of the local mass-density and thickness of the specimen. The detection strategy has been implemented and tailored in order to maintain the projection requirement over the large tilt range, as requiredmore » by the tomographic workflow. A Si-based electron detector and an eucentric-rotation specimen holder have been specifically developed for the purpose.« less

Measurement of neoclassically predicted edge current density at ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Dunne, M. G.; McCarthy, P. J.; Wolfrum, E.; Fischer, R.; Giannone, L.; Burckhart, A.; the ASDEX Upgrade Team

2012-12-01

Experimental confirmation of neoclassically predicted edge current density in an ELMy H-mode plasma is presented. Current density analysis using the CLISTE equilibrium code is outlined and the rationale for accuracy of the reconstructions is explained. Sample profiles and time traces from analysis of data at ASDEX Upgrade are presented. A high time resolution is possible due to the use of an ELM-synchronization technique. Additionally, the flux-surface-averaged current density is calculated using a neoclassical approach. Results from these two separate methods are then compared and are found to validate the theoretical formula. Finally, several discharges are compared as part of a fuelling study, showing that the size and width of the edge current density peak at the low-field side can be explained by the electron density and temperature drives and their respective collisionality modifications.

Sub-millisecond electron density profile measurement at the JET tokamak with the fast lithium beam emission spectroscopy system

NASA Astrophysics Data System (ADS)

Réfy, D. I.; Brix, M.; Gomes, R.; Tál, B.; Zoletnik, S.; Dunai, D.; Kocsis, G.; Kálvin, S.; Szabolics, T.; JET Contributors

2018-04-01

Diagnostic alkali atom (e.g., lithium) beams are routinely used to diagnose magnetically confined plasmas, namely, to measure the plasma electron density profile in the edge and the scrape off layer region. A light splitting optics system was installed into the observation system of the lithium beam emission spectroscopy diagnostic at the Joint European Torus (JET) tokamak, which allows simultaneous measurement of the beam light emission with a spectrometer and a fast avalanche photodiode (APD) camera. The spectrometer measurement allows density profile reconstruction with ˜10 ms time resolution, absolute position calculation from the Doppler shift, spectral background subtraction as well as relative intensity calibration of the channels for each discharge. The APD system is capable of measuring light intensities on the microsecond time scale. However ˜100 μs integration is needed to have an acceptable signal to noise ratio due to moderate light levels. Fast modulation of the beam up to 30 kHz is implemented which allows background subtraction on the 100 μs time scale. The measurement covers the 0.9 < ρpol < 1.1 range with 6-10 mm optical resolution at the measurement location which translates to 3-5 mm radial resolution at the midplane due to flux expansion. An automated routine has been developed which performs the background subtraction, the relative calibration, and the comprehensive error calculation, runs a Bayesian density reconstruction code, and loads results to the JET database. The paper demonstrates the capability of the APD system by analyzing fast phenomena like pellet injection and edge localized modes.

Effects of the current boundary conditions at the plasma-gun gap on density in SSPX

NASA Astrophysics Data System (ADS)

Kolesnikov, Roman; Lodestro, L. L.; Meyer, W. H.

2012-10-01

The Sustained Spheromak Physics Experiment (SSPX) was a toroidal magnetic-confinement device without toroidal magnetic-field coils or a central transformer but which generated core-plasma currents by dynamo processes driven by coaxial plasma-gun injection into a flux-conserving vessel. Record electron temperatures in a spheromak (Te˜500eV) were achieved, and final results of the SSPX program were reported in [1]. Plasma density, which depended strongly on wall conditions, was an important parameter in SSPX. It was observed that density rises with Igun and that confinement improved as the density was lowered. Shortly after the last experiments, a new feature was added to the Corsica code's solver used to reconstruct SSPX equilibria. Motivated by n=0 fields observed in NIMROD simulations of SSPX, an insulating boundary condition was implemented at the plasma-gun gap. Using this option we will perform new reconstructions of SSPX equilibria and look for correlations between the location of the separatrix (which moves up the gun wall and onto the insulating gap as Igun increases) and plasma density and magnetic-flux amplification [2].[4pt] [1] H. S. McLean, APS, DPP, Dallas, TX, 2008.[0pt] [2] E. B. Hooper et al., Nucl. Fusion 47, 1064 (2007).

Chlorine adsorption on the InAs (001) surface

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

Bakulin, A. V.; Eremeev, S. V.; Tereshchenko, O. E.

2011-01-15

Chlorine adsorption on the In-stabilized InAs(001) surface with {zeta}-(4 Multiplication-Sign 2) and {beta}3 Prime -(4 Multiplication-Sign 2) reconstructions and on the Ga-stabilized GaAs (001)-{zeta}-(4 Multiplication-Sign 2) surface has been studied within the electron density functional theory. The equilibrium structural parameters of these reconstructions, surface atom positions, bond lengths in dimers, and their changes upon chlorine adsorption are determined. The electronic characteristics of the clean surface and the surface with adsorbed chlorine are calculated. It is shown that the most energetically favorable positions for chlorine adsorption are top positions over dimerized indium or gallium atoms. The mechanism of chlorine binding withmore » In(Ga)-stabilized surface is explained. The interaction of chlorine atoms with dimerized surface atoms weakens surface atom bonds and controls the initial stage of surface etching.« less

Single-shot coherent diffraction imaging of microbunched relativistic electron beams for free-electron laser applications.

PubMed

Marinelli, A; Dunning, M; Weathersby, S; Hemsing, E; Xiang, D; Andonian, G; O'Shea, F; Miao, Jianwei; Hast, C; Rosenzweig, J B

2013-03-01

With the advent of coherent x rays provided by the x-ray free-electron laser (FEL), strong interest has been kindled in sophisticated diffraction imaging techniques. In this Letter, we exploit such techniques for the diagnosis of the density distribution of the intense electron beams typically utilized in an x-ray FEL itself. We have implemented this method by analyzing the far-field coherent transition radiation emitted by an inverse-FEL microbunched electron beam. This analysis utilizes an oversampling phase retrieval method on the transition radiation angular spectrum to reconstruct the transverse spatial distribution of the electron beam. This application of diffraction imaging represents a significant advance in electron beam physics, having critical applications to the diagnosis of high-brightness beams, as well as the collective microbunching instabilities afflicting these systems.

Change of carrier density at the pseudogap critical point of a cuprate superconductor.

PubMed

Badoux, S; Tabis, W; Laliberté, F; Grissonnanche, G; Vignolle, B; Vignolles, D; Béard, J; Bonn, D A; Hardy, W N; Liang, R; Doiron-Leyraud, N; Taillefer, Louis; Proust, Cyril

2016-03-10

The pseudogap is a partial gap in the electronic density of states that opens in the normal (non-superconducting) state of cuprate superconductors and whose origin is a long-standing puzzle. Its connection to the Mott insulator phase at low doping (hole concentration, p) remains ambiguous and its relation to the charge order that reconstructs the Fermi surface at intermediate doping is still unclear. Here we use measurements of the Hall coefficient in magnetic fields up to 88 tesla to show that Fermi-surface reconstruction by charge order in the cuprate YBa2Cu3Oy ends sharply at a critical doping p = 0.16 that is distinctly lower than the pseudogap critical point p* = 0.19 (ref. 11). This shows that the pseudogap and charge order are separate phenomena. We find that the change in carrier density n from n = 1 + p in the conventional metal at high doping (ref. 12) to n = p at low doping (ref. 13) starts at the pseudogap critical point. This shows that the pseudogap and the antiferromagnetic Mott insulator are linked.

Resolution Measurement from a Single Reconstructed Cryo-EM Density Map with Multiscale Spectral Analysis.

PubMed

Yang, Yu-Jiao; Wang, Shuai; Zhang, Biao; Shen, Hong-Bin

2018-06-25

As a relatively new technology to solve the three-dimensional (3D) structure of a protein or protein complex, single-particle reconstruction (SPR) of cryogenic electron microscopy (cryo-EM) images shows much superiority and is in a rapidly developing stage. Resolution measurement in SPR, which evaluates the quality of a reconstructed 3D density map, plays a critical role in promoting methodology development of SPR and structural biology. Because there is no benchmark map in the generation of a new structure, how to realize the resolution estimation of a new map is still an open problem. Existing approaches try to generate a hypothetical benchmark map by reconstructing two 3D models from two halves of the original 2D images for cross-reference, which may result in a premature estimation with a half-data model. In this paper, we report a new self-reference-based resolution estimation protocol, called SRes, that requires only a single reconstructed 3D map. The core idea of SRes is to perform a multiscale spectral analysis (MSSA) on the map through multiple size-variable masks segmenting the map. The MSSA-derived multiscale spectral signal-to-noise ratios (mSSNRs) reveal that their corresponding estimated resolutions will show a cliff jump phenomenon, indicating a significant change in the SSNR properties. The critical point on the cliff borderline is demonstrated to be the right estimator for the resolution of the map.

Staging of laser-plasma accelerators

DOE PAGES

Steinke, S.; van Tilborg, J.; Benedetti, C.; ...

2016-05-02

We present results of an experiment where two laser-plasma-accelerator stages are coupled at a short distance by a plasma mirror. Stable electron beams from the first stage were used to longitudinally probe the dark-current-free, quasi-linear wakefield excited by the laser of the second stage. Changing the arrival time of the electron beam with respect to the second stage laser pulse allowed reconstruction of the temporal wakefield structure, determination of the plasma density, and inference of the length of the electron beam. The first stage electron beam could be focused by an active plasma lens to a spot size smaller thanmore » the transverse wake size at the entrance of the second stage. Furthermore, this permitted electron beam trapping, verified by a 100 MeV energy gain.« less

Magnetic coupling of Fe-porphyrin molecules adsorbed on clean and c(2×2) oxygen-reconstructed Co(100) investigated by spin-polarized photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Weber, A. P.; Caruso, A. N.; Vescovo, E.; Ali, Md. E.; Tarafder, K.; Janjua, S. Z.; Sadowski, J. T.; Oppeneer, P. M.

2013-05-01

The spin-polarized electronic structure of iron octaethylporphyrin (FeOEP) molecules adsorbed on a pristine and on a c(2×2) oxygen-reconstructed Co(100) surface has been analyzed by means of spin-polarized photoemission spectroscopy (SPPES) and first-principles density functional theory with the on-site Coulomb repulsion U term (DFT+U) calculations with and without Van der Waals corrections. The aim is to examine the magnetic exchange mechanism between the FeOEP molecules and the Co(100) substrate in the presence or absence of the oxygen mediator. The results demonstrate that the magnetic coupling from the ferromagnetic substrate to the adsorbed FeOEP molecules is ferromagnetic, whereas, the coupling is antiferromagnetic for the FeOEP on the c(2×2)O/Co(100) system. Spin-resolved partial densities of states extracted from ab initio DFT+U modeling are in fairly good comparison with the electronic spectral densities seen in angle-integrated SPPES energy dispersion curves for submonolayer coverages of FeOEP. Through combined analysis of these spectra and theoretical results, we determine that hybridization of 2p orbitals of N and O with Co 3d orbitals facilitates indirect magnetic exchange interactions between Fe and Co, whereas, a direct Fe-Co interaction involving the Fe dz2 orbital is also found for FeOEP on Co. It is observed through SPPES that the spin polarization of the photoemission-visible molecular overlayers decreases to zero as coverage is increased beyond the submonolayer regime, indicating that only interfacial magnetic coupling is at work. Microspot low-energy electron diffraction and low-energy electron microscopy were performed to characterize the physical order of the molecular coverage, revealing that FeOEP structural domains are orders of magnitude greater in size on c(2×2)O/Co(100) than on clean Co(100), which coincides with reduced scattering from the disorder and sharper features seen in SPPES.

Analysis of a non-storm time enhancement in outer belt electrons

NASA Astrophysics Data System (ADS)

Schiller, Q.; Li, X.; Godinez, H. C.; Sarris, T. E.; Tu, W.; Malaspina, D.; Turner, D. L.; Blake, J. B.; Koller, J.

2014-12-01

A high-speed solar wind stream impacted Earth's magnetosphere on January 13th, 2013, and is associated with a large enhancement (>2.5 orders) of outer radiation belt electron fluxes despite a small Dst signature (-30 nT). Fortunately, the outer belt was well sampled by a variety of missions during the event, including the Van Allen Probes, THEMIS, and the Colorado Student Space Weather Experiment (CSSWE). In-situ flux and phase space density observations are used from MagEIS (Magnetic Electron Ion Spectrometer) onboard the Van Allen Probes, REPTile (Relativistic Electron and Proton Telescope integrated little experiment) onboard CSSWE, and SST onboard THEMIS. The observations show a rapid increase in 100's keV electron fluxes, followed by a more gradual enhancement of the MeV energies. The 100's keV enhancement is associated with a substorm injection, and the futher energization to MeV energies is associated with wave activity as measured by the Van Allen Probes and THEMIS. Furthermore, the phase space density radial profiles show an acceleration region occurring between 5

Helical image reconstruction of the outward-open human erythrocyte band 3 membrane domain in tubular crystals.

PubMed

Yamaguchi, Tomohiro; Fujii, Takashi; Abe, Yoshito; Hirai, Teruhisa; Kang, Dongchon; Namba, Keiichi; Hamasaki, Naotaka; Mitsuoka, Kaoru

2010-03-01

The C-terminal membrane domain of erythrocyte band 3 functions as an anion exchanger. Here, we report the three-dimensional (3D) structure of the membrane domain in an inhibitor-stabilized, outward-open conformation at 18A resolution. Unstained, frozen-hydrated tubular crystals containing the membrane domain of band 3 purified from human red blood cells (hB3MD) were examined using cryo-electron microscopy and iterative helical real-space reconstruction (IHRSR). The 3D image reconstruction of the tubular crystals showed the molecular packing of hB3MD dimers with dimensions of 60 x 110 A in the membrane plane and a thickness of 70A across the membrane. Immunoelectron microscopy and carboxyl-terminal digestion demonstrated that the intracellular surface of hB3MD was exposed on the outer surface of the tubular crystal. A 3D density map revealed that hB3MD consists of at least two subdomains and that the outward-open form is characterized by a large hollow area on the extracellular surface and continuous density on the intracellular surface. (c) 2009 Elsevier Inc. All rights reserved.

Electronic structure and surface properties of MgB2(0001) upon oxygen adsorption

NASA Astrophysics Data System (ADS)

Kim, Chang-Eun; Ray, Keith G.; Bahr, David F.; Lordi, Vincenzo

2018-05-01

We use density-functional theory to investigate the bulk and surface properties of MgB2. The unique bonding structure of MgB2 is investigated by Bader's atoms-in-molecules, charge density difference, and occupancy projected band structure analyses. Oxygen adsorption on the charge-depleted surfaces of MgB2 is studied by a surface potential energy mapping method, reporting a complete map including low-symmetry binding sites. The B-terminated MgB2(0001) demonstrates reconstruction of the graphenelike B layer, and the reconstructed geometry exposes a threefold site of the subsurface Mg, making it accessible from the surface. Detailed reconstruction mechanisms are studied by simulated annealing method based on ab initio molecular dynamics and nudged elastic band calculations. The surface clustering of B atoms significantly modifies the B 2 p states to occupy low energy valence states. The present paper emphasizes that a thorough understanding of the surface phase may explain an apparent inconsistency in the experimental surface characterization of MgB2. Furthermore, these results suggest that the surface passivation can be an important technical challenge when it comes to development of a superconducting device using MgB2.

3D structural fluctuation of IgG1 antibody revealed by individual particle electron tomography

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

Zhang, Xing; Zhang, Lei; Tong, Huimin

2015-05-05

Commonly used methods for determining protein structure, including X-ray crystallography and single-particle reconstruction, often provide a single and unique three-dimensional (3D) structure. However, in these methods, the protein dynamics and flexibility/fluctuation remain mostly unknown. Here, we utilized advances in electron tomography (ET) to study the antibody flexibility and fluctuation through structural determination of individual antibody particles rather than averaging multiple antibody particles together. Through individual-particle electron tomography (IPET) 3D reconstruction from negatively-stained ET images, we obtained 120 ab-initio 3D density maps at an intermediate resolution (~1–3 nm) from 120 individual IgG1 antibody particles. Using these maps as a constraint, wemore » derived 120 conformations of the antibody via structural flexible docking of the crystal structure to these maps by targeted molecular dynamics simulations. Statistical analysis of the various conformations disclosed the antibody 3D conformational flexibility through the distribution of its domain distances and orientations. This blueprint approach, if extended to other flexible proteins, may serve as a useful methodology towards understanding protein dynamics and functions.« less

Perturbation theory for BAO reconstructed fields: One-loop results in the real-space matter density field

NASA Astrophysics Data System (ADS)

Hikage, Chiaki; Koyama, Kazuya; Heavens, Alan

2017-08-01

We compute the power spectrum at one-loop order in standard perturbation theory for the matter density field to which a standard Lagrangian baryonic acoustic oscillation (BAO) reconstruction technique is applied. The BAO reconstruction method corrects the bulk motion associated with the gravitational evolution using the inverse Zel'dovich approximation (ZA) for the smoothed density field. We find that the overall amplitude of one-loop contributions in the matter power spectrum substantially decreases after reconstruction. The reconstructed power spectrum thereby approaches the initial linear spectrum when the smoothed density field is close enough to linear, i.e., the smoothing scale Rs≳10 h-1 Mpc . On smaller Rs, however, the deviation from the linear spectrum becomes significant on large scales (k ≲Rs-1 ) due to the nonlinearity in the smoothed density field, and the reconstruction is inaccurate. Compared with N-body simulations, we show that the reconstructed power spectrum at one-loop order agrees with simulations better than the unreconstructed power spectrum. We also calculate the tree-level bispectrum in standard perturbation theory to investigate non-Gaussianity in the reconstructed matter density field. We show that the amplitude of the bispectrum significantly decreases for small k after reconstruction and that the tree-level bispectrum agrees well with N-body results in the weakly nonlinear regime.

Quantum chemistry study on the open end of single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Hou, Shimin; Shen, Ziyong; Zhao, Xingyu; Xue, Zengquan

2003-05-01

Geometrical and electronic structures of open-ended single-walled carbon nanotubes (SWCNTs) are calculated using density functional theory (DFT) with hybrid functional (B3LYP) approximation. Due to different distances between carbon atoms along the edge, reconstruction occurs at the open end of the (4,4) armchair SWCNT, i.e., triple bonds are formed in the carbon atom pairs at the mouth; however, for the (6,0) zigzag SWCNT, electrons in dangling bonds still remain at 'no-bonding' states. The ionization potential (IP) of both (4,4) and (6,0) SWCNTs is increased by their negative intrinsic dipole moments, and localized electronic states existed at both of their open ends.

Compact microwave imaging system to measure spatial distribution of plasma density

NASA Astrophysics Data System (ADS)

Ito, H.; Oba, R.; Yugami, N.; Nishida, Y.

2004-10-01

We have developed an advanced microwave interferometric system operating in the K band (18-27 GHz) with the use of a fan-shaped microwave based on a heterodyne detection system for measuring the spatial distribution of the plasma density. In order to make a simple, low-cost, and compact microwave interferometer with better spatial resolution, a microwave scattering technique by a microstrip antenna array is employed. Experimental results show that the imaging system with the microstrip antenna array can have finer spatial resolution than one with the diode antenna array and reconstruct a good spatially resolved image of the finite size dielectric phantoms placed between the horn antenna and the micro strip antenna array. The precise two-dimensional electron density distribution of the cylindrical plasma produced by an electron cyclotron resonance has been observed. As a result, the present imaging system is more suitable for a two- or three-dimensional display of the objects or stationary plasmas and it is possible to realize a compact microwave imaging system.

Optical manifestation of the Stoner ferromagnetic transition in two-dimensional electron systems

NASA Astrophysics Data System (ADS)

Van'kov, A. B.; Kaysin, B. D.; Kukushkin, I. V.

2017-12-01

We perform a magneto-optical study of a two-dimensional electron systems in the regime of the Stoner ferromagnetic instability for even quantum Hall filling factors on MgxZn1 -xO /ZnO heterostructures. Under conditions of Landau-level crossing, caused by enhanced spin susceptibility in combination with the tilting of the magnetic field, the transition between two rivaling phases, paramagnetic and ferromagnetic, is traced in terms of optical spectra reconstruction. Synchronous sharp transformations are observed both in the photoluminescence structure and parameters of collective excitations upon transition from paramagnetic to ferromagnetic ordering. Based on these measurements, a phase diagram is constructed in terms of the two-dimensional electron density and tilt angle of the magnetic field. Apart from stable paramagnetic and ferromagnetic phases, an instability region is found at intermediate parameters with the Stoner transition occurring at ν ≈2 . The spin configuration in all cases is unambiguously determined by means of inelastic light scattering by spin-sensitive collective excitations. One indicator of the spin ordering is the intra-Landau-level spin exciton, which acquires a large spectral weight in the ferromagnetic phases. The other is an abrupt energy shift of the intersubband charge density excitation due to reconstruction of the many-particle energy contribution. From our analysis of photoluminescence and light scattering data, we estimate the ratio of surface areas occupied by the domains of the two phases in the vicinity of a transition point. In addition, the thermal smearing of a phase transition is characterized.

Research on ionospheric tomography based on variable pixel height

NASA Astrophysics Data System (ADS)

Zheng, Dunyong; Li, Peiqing; He, Jie; Hu, Wusheng; Li, Chaokui

2016-05-01

A novel ionospheric tomography technique based on variable pixel height was developed for the tomographic reconstruction of the ionospheric electron density distribution. The method considers the height of each pixel as an unknown variable, which is retrieved during the inversion process together with the electron density values. In contrast to conventional computerized ionospheric tomography (CIT), which parameterizes the model with a fixed pixel height, the variable-pixel-height computerized ionospheric tomography (VHCIT) model applies a disturbance to the height of each pixel. In comparison with conventional CIT models, the VHCIT technique achieved superior results in a numerical simulation. A careful validation of the reliability and superiority of VHCIT was performed. According to the results of the statistical analysis of the average root mean square errors, the proposed model offers an improvement by 15% compared with conventional CIT models.

Methodological accuracy of image-based electron density assessment using dual-energy computed tomography.

PubMed

Möhler, Christian; Wohlfahrt, Patrick; Richter, Christian; Greilich, Steffen

2017-06-01

Electron density is the most important tissue property influencing photon and ion dose distributions in radiotherapy patients. Dual-energy computed tomography (DECT) enables the determination of electron density by combining the information on photon attenuation obtained at two different effective x-ray energy spectra. Most algorithms suggested so far use the CT numbers provided after image reconstruction as input parameters, i.e., are imaged-based. To explore the accuracy that can be achieved with these approaches, we quantify the intrinsic methodological and calibration uncertainty of the seemingly simplest approach. In the studied approach, electron density is calculated with a one-parametric linear superposition ('alpha blending') of the two DECT images, which is shown to be equivalent to an affine relation between the photon attenuation cross sections of the two x-ray energy spectra. We propose to use the latter relation for empirical calibration of the spectrum-dependent blending parameter. For a conclusive assessment of the electron density uncertainty, we chose to isolate the purely methodological uncertainty component from CT-related effects such as noise and beam hardening. Analyzing calculated spectrally weighted attenuation coefficients, we find universal applicability of the investigated approach to arbitrary mixtures of human tissue with an upper limit of the methodological uncertainty component of 0.2%, excluding high-Z elements such as iodine. The proposed calibration procedure is bias-free and straightforward to perform using standard equipment. Testing the calibration on five published data sets, we obtain very small differences in the calibration result in spite of different experimental setups and CT protocols used. Employing a general calibration per scanner type and voltage combination is thus conceivable. Given the high suitability for clinical application of the alpha-blending approach in combination with a very small methodological uncertainty, we conclude that further refinement of image-based DECT-algorithms for electron density assessment is not advisable. © 2017 American Association of Physicists in Medicine.

Forward model with space-variant of source size for reconstruction on X-ray radiographic image

NASA Astrophysics Data System (ADS)

Liu, Jin; Liu, Jun; Jing, Yue-feng; Xiao, Bo; Wei, Cai-hua; Guan, Yong-hong; Zhang, Xuan

2018-03-01

The Forward Imaging Technique is a method to solve the inverse problem of density reconstruction in radiographic imaging. In this paper, we introduce the forward projection equation (IFP model) for the radiographic system with areal source blur and detector blur. Our forward projection equation, based on X-ray tracing, is combined with the Constrained Conjugate Gradient method to form a new method for density reconstruction. We demonstrate the effectiveness of the new technique by reconstructing density distributions from simulated and experimental images. We show that for radiographic systems with source sizes larger than the pixel size, the effect of blur on the density reconstruction is reduced through our method and can be controlled within one or two pixels. The method is also suitable for reconstruction of non-homogeneousobjects.

The 7 × 1 Fermi Surface Reconstruction in a Two-dimensional f -electron Charge Density Wave System: PrTe 3

DOE PAGES

Lee, Eunsook; Kim, D. H.; Kim, Hyun Woo; ...

2016-07-25

The electronic structure of a charge density wave (CDW) system PrTe 3 and its modulated structure in the CDW phase have been investigated by employing ARPES, XAS, Pr 4 f RPES, and first-principles band structure calculation. Pr ions are found to be nearly trivalent, supporting the CDW instability in the metallic Te sheets through partial filling. Finite Pr 4 f spectral weight is observed near the Fermi level, suggesting the non-negligible Pr 4 f contribution to the CDW formation through the Pr 4 f -Te 5p hybridization. The two-fold symmetric features in the measured Fermi surface (FS) of PrTe 3more » are explained by the calculated FS for the assumed 7 × 1 CDW supercell formation in Te sheets. The shadow bands and the corresponding very weak FSs are observed, which originate from both the band folding due to the 3D interaction of Te sheets with neighboring Pr-Te layers and that due to the CDW-induced FS reconstruction. The straight vertical FSs are observed along k z, demonstrating the nearly 2D character for the near-EF states. The observed linear dichroism reveals the in-plane orbital character of the near-E F Te 5p states.« less

Capturing relativistic wakefield structures in plasmas using ultrashort high-energy electrons as a probe

DOE PAGES

Zhang, C. J.; Hua, J. F.; Xu, X. L.; ...

2016-07-11

A new method capable of capturing coherent electric field structures propagating at nearly the speed of light in plasma with a time resolution as small as a few femtoseconds is proposed. This method uses a few femtoseconds long relativistic electron bunch to probe the wake produced in a plasma by an intense laser pulse or an ultra-short relativistic charged particle beam. As the probe bunch traverses the wake, its momentum is modulated by the electric field of the wake, leading to a density variation of the probe after free-space propagation. This variation of probe density produces a snapshot of themore » wake that can directly give many useful information of the wake structure and its evolution. Furthermore, this snapshot allows detailed mapping of the longitudinal and transverse components of the wakefield. We develop a theoretical model for field reconstruction and verify it using 3-dimensional particle-in-cell (PIC) simulations. This model can accurately reconstruct the wakefield structure in the linear regime, and it can also qualitatively map the major features of nonlinear wakes. As a result, the capturing of the injection in a nonlinear wake is demonstrated through 3D PIC simulations as an example of the application of this new method.« less

Three-dimensional Bragg coherent diffraction imaging of an extended ZnO crystal.

PubMed

Huang, Xiaojing; Harder, Ross; Leake, Steven; Clark, Jesse; Robinson, Ian

2012-08-01

A complex three-dimensional quantitative image of an extended zinc oxide (ZnO) crystal has been obtained using Bragg coherent diffraction imaging integrated with ptychography. By scanning a 2.5 µm-long arm of a ZnO tetrapod across a 1.3 µm X-ray beam with fine step sizes while measuring a three-dimensional diffraction pattern at each scan spot, the three-dimensional electron density and projected displacement field of the entire crystal were recovered. The simultaneously reconstructed complex wavefront of the illumination combined with its coherence properties determined by a partial coherence analysis implemented in the reconstruction process provide a comprehensive characterization of the incident X-ray beam.

Modeling Solar Zenith Angle Effects on the Polar Wind

NASA Technical Reports Server (NTRS)

Glocer, A; Kitamura, N.; Toth, G; Gombosi, T.

2012-01-01

We use the Polar Wind Outflow Model (PWOM) to study the geomagnetically quiet conditions in the polar cap during solar maximum. The PWOM solves the gyrotropic transport equations for O+, H+, and He+ along several magnetic field lines in the polar region in order to reconstruct the full 3D solution. We directly compare our simulation results to the data based empirical model of Kitamura et al. (2011) of electron density which is based on 63 months of Akebono satellite observations. The modeled ion and electron temperatures are also compared with a statistical compilation of quiet time data obtained by the EISCAT Svalbard Radar (ESR) and Intercosmos Satellites. The data and model agree reasonably well, albeit with some differences. This study shows that photoelectrons play an important role in explaining the differences between sunlit and dark results of electron density, ion composition, as well as ion and electron temperatures of the quiet time polar wind solution. Moreover, these results provide an initial validation of the PWOM s ability to model the quiet time "background" solution.

The spatial distribution of two dimensional electron gas at the LaTiO3/KTaO3 interface

NASA Astrophysics Data System (ADS)

Song, Qi; Peng, Rui; Xu, Haichao; Feng, Donglai

2017-08-01

We report the photoemission spectroscopy studies on the newly discovered two dimensional electron gas (2DEG) system LaTiO3/KTaO3, whose interfacial carriers show much higher mobility than that in LaAlO3/SrTiO3 at room temperature, thus raising the application prospect of transition metal oxide-based 2DEG. By measuring the density of states at the Fermi energy (EF), we directly reveal the spatial distribution of the conducting electrons at the interface. The density of states near EF of the topmost LTO reaches the highest when LTO is 2-unit-cell thick, and diminishes at the 5th unit cell of LTO. We discussed the origin of such a spacial distribution of conducting electrons and its relation with 2DEG, and proposed two possible scenarios based on electrostatic relaxations and chemical reconstructions. These results offer experimental clues in understanding the characteristics and origin of the 2DEG, and also shed light on improving the performance of 2DEG.

The spatial distribution of two dimensional electron gas at the LaTiO3/KTaO3 interface.

PubMed

Song, Qi; Peng, Rui; Xu, Haichao; Feng, Donglai

2017-08-09

We report the photoemission spectroscopy studies on the newly discovered two dimensional electron gas (2DEG) system LaTiO 3 /KTaO 3 , whose interfacial carriers show much higher mobility than that in LaAlO 3 /SrTiO 3 at room temperature, thus raising the application prospect of transition metal oxide-based 2DEG. By measuring the density of states at the Fermi energy (E F ), we directly reveal the spatial distribution of the conducting electrons at the interface. The density of states near E F of the topmost LTO reaches the highest when LTO is 2-unit-cell thick, and diminishes at the 5th unit cell of LTO. We discussed the origin of such a spacial distribution of conducting electrons and its relation with 2DEG, and proposed two possible scenarios based on electrostatic relaxations and chemical reconstructions. These results offer experimental clues in understanding the characteristics and origin of the 2DEG, and also shed light on improving the performance of 2DEG.

Numerical Simulations to Assess ART and MART Performance for Ionospheric Tomography of Chapman Profiles.

PubMed

Prol, Fabricio S; Camargo, Paulo O; Muella, Marcio T A H

2017-01-01

The incomplete geometrical coverage of the Global Navigation Satellite System (GNSS) makes the ionospheric tomographic system an ill-conditioned problem for ionospheric imaging. In order to detect the principal limitations of the ill-conditioned tomographic solutions, numerical simulations of the ionosphere are under constant investigation. In this paper, we show an investigation of the accuracy of Algebraic Reconstruction Technique (ART) and Multiplicative ART (MART) for performing tomographic reconstruction of Chapman profiles using a simulated optimum scenario of GNSS signals tracked by ground-based receivers. Chapman functions were used to represent the ionospheric morphology and a set of analyses was conducted to assess ART and MART performance for estimating the Total Electron Content (TEC) and parameters that describes the Chapman function. The results showed that MART performed better in the reconstruction of the electron density peak and ART gave a better representation for estimating TEC and the shape of the ionosphere. Since we used an optimum scenario of the GNSS signals, the analyses indicate the intrinsic problems that may occur with ART and MART to recover valuable information for many applications of Telecommunication, Spatial Geodesy and Space Weather.

Characterization and extraction of the synaptic apposition surface for synaptic geometry analysis

PubMed Central

Morales, Juan; Rodríguez, Angel; Rodríguez, José-Rodrigo; DeFelipe, Javier; Merchán-Pérez, Angel

2013-01-01

Geometrical features of chemical synapses are relevant to their function. Two critical components of the synaptic junction are the active zone (AZ) and the postsynaptic density (PSD), as they are related to the probability of synaptic release and the number of postsynaptic receptors, respectively. Morphological studies of these structures are greatly facilitated by the use of recent electron microscopy techniques, such as combined focused ion beam milling and scanning electron microscopy (FIB/SEM), and software tools that permit reconstruction of large numbers of synapses in three dimensions. Since the AZ and the PSD are in close apposition and have a similar surface area, they can be represented by a single surface—the synaptic apposition surface (SAS). We have developed an efficient computational technique to automatically extract this surface from synaptic junctions that have previously been three-dimensionally reconstructed from actual tissue samples imaged by automated FIB/SEM. Given its relationship with the release probability and the number of postsynaptic receptors, the surface area of the SAS is a functionally relevant measure of the size of a synapse that can complement other geometrical features like the volume of the reconstructed synaptic junction, the equivalent ellipsoid size and the Feret's diameter. PMID:23847474

Scanning tunneling microscopy and spectroscopy studies of the heavy-electron superconductor TlNi2Se2

NASA Astrophysics Data System (ADS)

Wilfert, Stefan; Schmitt, Martin; Schmidt, Henrik; Mauerer, Tobias; Sessi, Paolo; Wang, Hangdong; Mao, Qianhui; Fang, Minghu; Bode, Matthias

2018-01-01

We report on the structural and superconducting electronic properties of the heavy-electron superconductor TlNi2Se2 . By using a variable-temperature scanning tunneling microscopy (VT-STM) the coexistence of (√{2 }×√{2 }) R 45∘ and (2 ×1 ) surface reconstructions is observed. Similar to earlier observations on the "122" family of Fe-based superconductors, we find that their respective surface fraction strongly depends on the temperature during cleavage, the measurement temperature, and the sample's history. Cleaving at low temperature predominantly results in the (√{2 }×√{2 }) R 45∘ -reconstructed surface. A detailed analysis of the (√{2 }×√{2 }) R 45∘ -reconstructed domains identifies (2 ×1 ) -ordered dimers, tertramers, and higher order even multimers as domain walls. Higher cleaving temperatures and the warming of low-temperature-cleaved samples increases the relative weight of the (2 ×1 ) surface reconstruction. By slowly increasing the sample temperature Ts inside the VT-STM we find that the (√{2 }×√{2 }) R 45∘ surface reconstructions transforms into the (2 ×1 ) structure at Ts=123 K. We identify the polar nature of the TlNi2Se2 (001) surface as the most probable driving mechanism of the two reconstructions, as both lead to a charge density ρ =0.5 e- , thereby avoiding divergent electrostatic potentials and the resulting "polar catastrophe." Low-temperature scanning tunneling spectroscopy (STS) performed with normal metal and superconducting probe tips shows a superconducting gap which is best fit with an isotropic s wave. We could not detect any correlation between the local surface reconstruction, suggesting that the superconductivity is predominantly governed by TlNi2Se2 bulk properties. Correspondingly, temperature- and field-dependent data reveal that both the critical temperature and critical magnetic field are in good agreement with bulk values obtained earlier from transport measurements. In the superconducting state the formation of an Abrikosov lattice is observed without any zero bias anomaly at the vortex core.

On the transferability of electron density in binary vanadium borides VB, V3B4 and VB2.

PubMed

Terlan, Bürgehan; Akselrud, Lev; Baranov, Alexey I; Borrmann, Horst; Grin, Yuri

2015-12-01

Binary vanadium borides are suitable model systems for a systematic analysis of the transferability concept in intermetallic compounds due to chemical intergrowth in their crystal structures. In order to underline this structural relationship, topological properties of the electron density in VB, V3B4 and VB2 reconstructed from high-resolution single-crystal X-ray diffraction data as well as derived from quantum chemical calculations, are analysed in terms of Bader's Quantum Theory of Atoms in Molecules [Bader (1990). Atoms in Molecules: A Quantum Theory, 1st ed. Oxford: Clarendon Press]. The compounds VB, V3B4 and VB2 are characterized by a charge transfer from the metal to boron together with two predominant atomic interactions, the shared covalent B-B interactions and the polar covalent B-M interactions. The resembling features of the crystal structures are well reflected by the respective B-B interatomic distances as well as by ρ(r) values at the B-B bond critical points. The latter decrease with an increase in the corresponding interatomic distances. The B-B bonds show transferable electron density properties at bond critical points depending on the respective bond distances.

Towards the low-dose characterization of beam sensitive nanostructures via implementation of sparse image acquisition in scanning transmission electron microscopy

NASA Astrophysics Data System (ADS)

Hwang, Sunghwan; Han, Chang Wan; Venkatakrishnan, Singanallur V.; Bouman, Charles A.; Ortalan, Volkan

2017-04-01

Scanning transmission electron microscopy (STEM) has been successfully utilized to investigate atomic structure and chemistry of materials with atomic resolution. However, STEM’s focused electron probe with a high current density causes the electron beam damages including radiolysis and knock-on damage when the focused probe is exposed onto the electron-beam sensitive materials. Therefore, it is highly desirable to decrease the electron dose used in STEM for the investigation of biological/organic molecules, soft materials and nanomaterials in general. With the recent emergence of novel sparse signal processing theories, such as compressive sensing and model-based iterative reconstruction, possibilities of operating STEM under a sparse acquisition scheme to reduce the electron dose have been opened up. In this paper, we report our recent approach to implement a sparse acquisition in STEM mode executed by a random sparse-scan and a signal processing algorithm called model-based iterative reconstruction (MBIR). In this method, a small portion, such as 5% of randomly chosen unit sampling areas (i.e. electron probe positions), which corresponds to pixels of a STEM image, within the region of interest (ROI) of the specimen are scanned with an electron probe to obtain a sparse image. Sparse images are then reconstructed using the MBIR inpainting algorithm to produce an image of the specimen at the original resolution that is consistent with an image obtained using conventional scanning methods. Experimental results for down to 5% sampling show consistency with the full STEM image acquired by the conventional scanning method. Although, practical limitations of the conventional STEM instruments, such as internal delays of the STEM control electronics and the continuous electron gun emission, currently hinder to achieve the full potential of the sparse acquisition STEM in realizing the low dose imaging condition required for the investigation of beam-sensitive materials, the results obtained in our experiments demonstrate the sparse acquisition STEM imaging is potentially capable of reducing the electron dose by at least 20 times expanding the frontiers of our characterization capabilities for investigation of biological/organic molecules, polymers, soft materials and nanostructures in general.

Stabilization of Au Monatomic-High Islands on the (2 ×2 )-Nad Reconstructed Surface of Wurtzite AlN(0001)

NASA Astrophysics Data System (ADS)

Eydoux, Benoit; Baris, Bulent; Khoussa, Hassan; Guillermet, Olivier; Gauthier, Sébastien; Bouju, Xavier; Martrou, David

2017-10-01

Noncontact atomic force microscopy images show that gold grows on the (2 ×2 )-Nad reconstructed polar (0001) surface of AlN insulating films, in the form of large monatomic islands. High-resolution images and in situ reflection high-energy electron diffraction spectra reveal two moiré patterns from which an atomic model can be built. Density functional theory calculations confirm this model and give insight into the mechanisms that lead to the stabilization of the monolayer. Gold adsorption is accompanied, first, by a global vertical charge transfer from the AlN substrate that fulfills the electrostatic stability criterion for a polar material, and second, by lateral charge transfers that are driven by the local chemical properties of the (2 ×2 )-Nad reconstruction. These results present alternative strategies to grow metal electrodes onto nitride compounds with a better controlled interface, a crucial issue for applications.

N-representability-driven reconstruction of the two-electron reduced-density matrix for a real-time time-dependent electronic structure method

NASA Astrophysics Data System (ADS)

Jeffcoat, David B.; DePrince, A. Eugene

2014-12-01

Propagating the equations of motion (EOM) for the one-electron reduced-density matrix (1-RDM) requires knowledge of the corresponding two-electron RDM (2-RDM). We show that the indeterminacy of this expression can be removed through a constrained optimization that resembles the variational optimization of the ground-state 2-RDM subject to a set of known N-representability conditions. Electronic excitation energies can then be obtained by propagating the EOM for the 1-RDM and following the dipole moment after the system interacts with an oscillating external electric field. For simple systems with well-separated excited states whose symmetry differs from that of the ground state, excitation energies obtained from this method are comparable to those obtained from full configuration interaction computations. Although the optimized 2-RDM satisfies necessary N-representability conditions, the procedure cannot guarantee a unique mapping from the 1-RDM to the 2-RDM. This deficiency is evident in the mean-field-quality description of transitions to states of the same symmetry as the ground state, as well as in the inability of the method to describe Rabi oscillations.

Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Weiss, A. H.

2013-04-01

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sites of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.

Theoretical studies of positron states and annihilation characteristics at the oxidized Cu(100) surface

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

Fazleev, N. G.; Weiss, A. H.

2013-04-19

In this work we present the results of theoretical studies of positron surface and bulk states and annihilation probabilities of surface-trapped positrons with relevant core electrons at the oxidized Cu(100) surface under conditions of high oxygen coverage. An ab-initio study of the electronic properties of the Cu(100) missing row reconstructed surface at various on surface and sub-surface oxygen coverages has been performed on the basis of the density functional theory (DFT) using the Dmol3 code and the generalized gradient approximation (GGA). Surface structures in calculations have been constructed by adding oxygen atoms to various surface hollow and sub-surface octahedral sitesmore » of the 0.5 monolayer (ML) missing row reconstructed phase of the Cu(100) surface with oxygen coverages ranging from 0.5 to 1.5 ML. The charge redistribution at the surface and variations in atomic structure and chemical composition of the topmost layers associated with oxidation and surface reconstruction have been found to affect the spatial extent and localization of the positron surface state wave function and annihilation probabilities of surface trapped positrons with relevant core electrons. Theoretical results are compared with experimental data obtained from studies of oxidation of the Cu(100) surface using positron annihilation induced Auger electron spectroscopy (PAES). It has been shown that positron annihilation probabilities with Cu 3s and 3p core electrons decrease when total (on-surface and sub-surface) oxygen coverage of the Cu(100) surface increases up to 1 ML. The calculations show that for high oxygen coverage when total oxygen coverage is 1. 5 ML the positron is not bound to the surface.« less

Regional application of multi-layer artificial neural networks in 3-D ionosphere tomography

NASA Astrophysics Data System (ADS)

Ghaffari Razin, Mir Reza; Voosoghi, Behzad

2016-08-01

Tomography is a very cost-effective method to study physical properties of the ionosphere. In this paper, residual minimization training neural network (RMTNN) is used in voxel-based tomography to reconstruct of 3-D ionosphere electron density with high spatial resolution. For numerical experiments, observations collected at 37 GPS stations from Iranian permanent GPS network (IPGN) are used. A smoothed TEC approach was used for absolute STEC recovery. To improve the vertical resolution, empirical orthogonal functions (EOFs) obtained from international reference ionosphere 2012 (IRI-2012) used as object function in training neural network. Ionosonde observations is used for validate reliability of the proposed method. Minimum relative error for RMTNN is 1.64% and maximum relative error is 15.61%. Also root mean square error (RMSE) of 0.17 × 1011 (electrons/m3) is computed for RMTNN which is less than RMSE of IRI2012. The results show that RMTNN has higher accuracy and compiles speed than other ionosphere reconstruction methods.

Structural Changes in a Marine Podovirus Associated with Release of its Genome into Prochlorococcus

PubMed Central

Liu, Xiangan; Zhang, Qinfen; Murata, Kazuyoshi; Baker, Matthew L.; Sullivan, Matthew B.; Fu, Caroline; Dougherty, Matthew; Schmid, Michael F.; Osburne, Marcia S.; Chisholm, Sallie W.; Chiu, Wah

2010-01-01

Podovirus P-SSP7 infects Prochlorococcus marinus, the most abundant oceanic photosynthetic microorganism. Single particle cryo-electron microscopy (cryo-EM) yields icosahedral and asymmetrical structures of infectious P-SSP7 with 4.6 Å and 9 Å resolution, respectively. The asymmetric reconstruction reveals how symmetry mismatches are accommodated among 5 of the gene products at the portal vertex. Reconstructions of infectious and empty particles show a conformational change of the “valve” density in the nozzle, an orientation difference in the tail fibers, a disordering of the C-terminus of the portal protein, and disappearance of the core proteins. In addition, cryo-electron tomography (cryo-ET) of P-SSP7 infecting Prochlorococcus demonstrated the same tail fiber conformation as in empty particles. Our observations suggest a mechanism whereby, upon binding to the host cell, the tail fibers induce a cascade of structural alterations of the portal vertex complex that triggers DNA release. PMID:20543830

3D ELECTRON DENSITY DISTRIBUTIONS IN THE SOLAR CORONA DURING SOLAR MINIMA: ASSESSMENT FOR MORE REALISTIC SOLAR WIND MODELING

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

Patoul, Judith de; Foullon, Claire; Riley, Pete, E-mail: j.depatoul@exeter.ac.uk, E-mail: c.foullon@exeter.ac.uk, E-mail: rileype@saic.com

Knowledge of the electron density distribution in the solar corona put constraints on the magnetic field configurations for coronal modeling and on initial conditions for solar wind modeling. We work with polarized SOHO/LASCO-C2 images from the last two recent minima of solar activity (1996–1997 and 2008–2010), devoid of coronal mass ejections. The goals are to derive the 4D electron density distributions in the corona by applying a newly developed time-dependent tomographic reconstruction method and to compare the results between the two solar minima and with two magnetohydrodynamic models. First, we confirm that the values of the density distribution in thermodynamic models aremore » more realistic than in polytropic ones. The tomography provides more accurate distributions in the polar regions, and we find that the density in tomographic and thermodynamic solutions varies with the solar cycle in both polar and equatorial regions. Second, we find that the highest-density structures do not always correspond to the predicted large-scale heliospheric current sheet or its helmet streamer but can follow the locations of pseudo-streamers. We deduce that tomography offers reliable density distributions in the corona, reproducing the slow time evolution of coronal structures, without prior knowledge of the coronal magnetic field over a full rotation. Finally, we suggest that the highest-density structures show a differential rotation well above the surface depending on how they are magnetically connected to the surface. Such valuable information on the rotation of large-scale structures could help to connect the sources of the solar wind to their in situ counterparts in future missions such as Solar Orbiter and Solar Probe Plus.« less

Electronic Reconstruction at the Isopolar LaTiO3/LaFeO3 Interface: An X-Ray Photoemission and Density-Functional Theory Study

NASA Astrophysics Data System (ADS)

Kleibeuker, J. E.; Zhong, Z.; Nishikawa, H.; Gabel, J.; Müller, A.; Pfaff, F.; Sing, M.; Held, K.; Claessen, R.; Koster, G.; Rijnders, G.

2014-12-01

We report the formation of a nonmagnetic band insulator at the isopolar interface between the antiferromagnetic Mott-Hubbard insulator LaTiO3 and the antiferromagnetic charge transfer insulator LaFeO3. By density-functional theory calculations, we find that the formation of this interface state is driven by the combination of O band alignment and crystal field splitting energy of the t2 g and eg bands. As a result of these two driving forces, the Fe 3 d bands rearrange and electrons are transferred from Ti to Fe. This picture is supported by x-ray photoelectron spectroscopy, which confirms the rearrangement of the Fe 3 d bands and reveals an unprecedented charge transfer up to 1.2 ±0.2 e-/interface unit cell in our LaTiO3/LaFeO3 heterostructures.

Cryo-electron microscopy and three-dimensional reconstructions of hepatitis C virus particles

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

Yu Xuekui; Qiao Ming; Atanasov, Ivo

2007-10-10

The structural details of hepatitis C virus (HCV) have been elusive because of the lack of a robust tissue culture system for producing an adequate amount of virions from infectious sources for in-depth three-dimensional (3D) structural analysis. Using both negative-stain and cryo-electron microscopy (cryoEM), we show that HCV virions isolated from cell culture have a rather uniform size of 500 A in diameter and that recombinantly expressed HCV-like particles (HCV-LPs) have similar morphologic, biophysical and antigenic features in spite of the varying sizes of the particles. 3D reconstructions were obtained from HCV-LPs with the same size as the HCV virionsmore » in the presence and absence of monoclonal antibodies bound to the E1 glycoprotein. The 3D reconstruction of HCV-LP reveals a multilayered architecture, with smooth outer-layer densities arranged in a 'fishbone' configuration. Reconstruction of the particles in complex with anti-E1 antibodies shows that sites of the E1 epitope are exposed and surround the 5-, 3- and 2-fold axes. The binding pattern of the anti-E1 antibody and the fitting of the structure of the dengue virus E glycoprotein into our 3D reconstructions further suggest that the HCV-LP E1 and E2 proteins form a tetramer (or dimer of heterodimers) that corresponds morphologically and functionally to the flavivirus E homodimer. This first 3D structural analysis of HCV particles offers important insights into the elusive mechanisms of HCV assembly and maturation.« less

Quasi-linear regime of gravitational instability: Implication to density-velocity relation

NASA Technical Reports Server (NTRS)

Shandarin, Sergei F.

1993-01-01

The well known linear relation between density and peculiar velocity distributions is a powerful tool for studying the large-scale structure in the Universe. Potentially it can test the gravitational instability theory and measure Omega. At present it is used in both ways: the velocity is reconstructed, provided the density is given, and vice versa. Reconstructing the density from the velocity field usually makes use of the Zel'dovich approximation. However, the standard linear approximation in Eulerian space is used when the velocity is reconstructed from the density distribution. I show that the linearized Zel'dovich approximation, in other words the linear approximation in the Lagrangian space, is more accurate for reconstructing velocity. In principle, a simple iteration technique can recover both the density and velocity distributions in Lagrangian space, but its practical application may need an additional study.

Enhanced modified faraday cup for determination of power density distribution of electron beams

DOEpatents

Elmer, John W.; Teruya, Alan T.

2001-01-01

An improved tomographic technique for determining the power distribution of an electron or ion beam using electron beam profile data acquired by an enhanced modified Faraday cup to create an image of the current density in high and low power ion or electron beams. A refractory metal disk with a number of radially extending slits, one slit being about twice the width of the other slits, is placed above a Faraday cup. The electron or ion beam is swept in a circular pattern so that its path crosses each slit in a perpendicular manner, thus acquiring all the data needed for a reconstruction in one circular sweep. The enlarged slit enables orientation of the beam profile with respect to the coordinates of the welding chamber. A second disk having slits therein is positioned below the first slit disk and inside of the Faraday cup and provides a shield to eliminate the majority of secondary electrons and ions from leaving the Faraday cup. Also, a ring is located below the second slit disk to help minimize the amount of secondary electrons and ions from being produced. In addition, a beam trap is located in the Faraday cup to provide even more containment of the electron or ion beam when full beam current is being examined through the center hole of the modified Faraday cup.

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

NASA Astrophysics Data System (ADS)

Wopperer, Philipp; De Giovannini, Umberto; Rubio, Angel

2017-03-01

We derive and extend the time-dependent surface-flux method introduced in [L. Tao, A. Scrinzi, New J. Phys. 14, 013021 (2012)] within a time-dependent density-functional theory (TDDFT) formalism and use it to calculate photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses. We present other, existing computational TDDFT methods that are suitable for the calculation of electron emission in compact spatial regions, and compare their results. We illustrate the performance of the new method by simulating strong-field ionization of C60 fullerene and discuss final state effects in the orbital reconstruction of planar organic molecules.

Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra [On the Thermal Stability of Metal Nanocrystals: An Investigation of the Surface and Bulk Reconstructions of Pd Concave Icosahedra

DOE PAGES

Gilroy, Kyle D.; Elnabawy, Ahmed O.; Yang, Tung -Han; ...

2017-04-27

Despite the remarkable success in controlling the synthesis of metal nanocrystals, it still remains a grand challenge to stabilize and preserve the shapes or internal structures of metastable kinetic products. In this work, we address this issue by systematically investigating the surface and bulk reconstructions experienced by a Pd concave icosahedron when subjected to heating up to 600 °C in vacuum. We used in situ high-resolution transmission electron microscopy to identify the equilibration pathways of this far-from-equilibrium structure. We were able to capture key structural transformations occurring during the thermal annealing process, which were mechanistically rationalized by implementing self-consistent plane-wavemore » density functional theory (DFT) calculations. Specifically, the concave icosahedron was found to evolve into a regular icosahedron via surface reconstruction in the range of 200–400 °C, and then transform into a pseudospherical crystalline structure through bulk reconstruction when further heated to 600 °C. As a result, the mechanistic understanding may lead to the development of strategies for enhancing the thermal stability of metal nanocrystals.« less

Effect of ultra-low doses, ASIR and MBIR on density and noise levels of MDCT images of dental implant sites.

PubMed

Widmann, Gerlig; Al-Shawaf, Reema; Schullian, Peter; Al-Sadhan, Ra'ed; Hörmann, Romed; Al-Ekrish, Asma'a A

2017-05-01

Differences in noise and density values in MDCT images obtained using ultra-low doses with FBP, ASIR, and MBIR may possibly affect implant site density analysis. The aim of this study was to compare density and noise measurements recorded from dental implant sites using ultra-low doses combined with FBP, ASIR, and MBIR. Cadavers were scanned using a standard protocol and four low-dose protocols. Scans were reconstructed using FBP, ASIR-50, ASIR-100, and MBIR, and either a bone or standard reconstruction kernel. Density (mean Hounsfield units [HUs]) of alveolar bone and noise levels (mean standard deviation of HUs) was recorded from all datasets and measurements were compared by paired t tests and two-way ANOVA with repeated measures. Significant differences in density and noise were found between the reference dose/FBP protocol and almost all test combinations. Maximum mean differences in HU were 178.35 (bone kernel) and 273.74 (standard kernel), and in noise, were 243.73 (bone kernel) and 153.88 (standard kernel). Decreasing radiation dose increased density and noise regardless of reconstruction technique and kernel. The effect of reconstruction technique on density and noise depends on the reconstruction kernel used. • Ultra-low-dose MDCT protocols allowed more than 90 % reductions in dose. • Decreasing the dose generally increased density and noise. • Effect of IRT on density and noise varies with reconstruction kernel. • Accuracy of low-dose protocols for interpretation of bony anatomy not known. • Effect of low doses on accuracy of computer-aided design models unknown.

First-principles study of atomic and electronic structures of 60° perfect and 30°/90° partial glide dislocations in CdTe

DOE PAGES

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

2016-05-16

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Atomic modeling of cryo-electron microscopy reconstructions--joint refinement of model and imaging parameters.

PubMed

Chapman, Michael S; Trzynka, Andrew; Chapman, Brynmor K

2013-04-01

When refining the fit of component atomic structures into electron microscopic reconstructions, use of a resolution-dependent atomic density function makes it possible to jointly optimize the atomic model and imaging parameters of the microscope. Atomic density is calculated by one-dimensional Fourier transform of atomic form factors convoluted with a microscope envelope correction and a low-pass filter, allowing refinement of imaging parameters such as resolution, by optimizing the agreement of calculated and experimental maps. A similar approach allows refinement of atomic displacement parameters, providing indications of molecular flexibility even at low resolution. A modest improvement in atomic coordinates is possible following optimization of these additional parameters. Methods have been implemented in a Python program that can be used in stand-alone mode for rigid-group refinement, or embedded in other optimizers for flexible refinement with stereochemical restraints. The approach is demonstrated with refinements of virus and chaperonin structures at resolutions of 9 through 4.5 Å, representing regimes where rigid-group and fully flexible parameterizations are appropriate. Through comparisons to known crystal structures, flexible fitting by RSRef is shown to be an improvement relative to other methods and to generate models with all-atom rms accuracies of 1.5-2.5 Å at resolutions of 4.5-6 Å. Copyright © 2013 Elsevier Inc. All rights reserved.

Linearized image reconstruction method for ultrasound modulated electrical impedance tomography based on power density distribution

NASA Astrophysics Data System (ADS)

Song, Xizi; Xu, Yanbin; Dong, Feng

2017-04-01

Electrical resistance tomography (ERT) is a promising measurement technique with important industrial and clinical applications. However, with limited effective measurements, it suffers from poor spatial resolution due to the ill-posedness of the inverse problem. Recently, there has been an increasing research interest in hybrid imaging techniques, utilizing couplings of physical modalities, because these techniques obtain much more effective measurement information and promise high resolution. Ultrasound modulated electrical impedance tomography (UMEIT) is one of the newly developed hybrid imaging techniques, which combines electric and acoustic modalities. A linearized image reconstruction method based on power density is proposed for UMEIT. The interior data, power density distribution, is adopted to reconstruct the conductivity distribution with the proposed image reconstruction method. At the same time, relating the power density change to the change in conductivity, the Jacobian matrix is employed to make the nonlinear problem into a linear one. The analytic formulation of this Jacobian matrix is derived and its effectiveness is also verified. In addition, different excitation patterns are tested and analyzed, and opposite excitation provides the best performance with the proposed method. Also, multiple power density distributions are combined to implement image reconstruction. Finally, image reconstruction is implemented with the linear back-projection (LBP) algorithm. Compared with ERT, with the proposed image reconstruction method, UMEIT can produce reconstructed images with higher quality and better quantitative evaluation results.

On Spatial Structuring of the F2 Layer Studied by the Satellite Radio Sounding of the Ionosphere Disturbed by High-Power HF Radio Waves

NASA Astrophysics Data System (ADS)

Tereshchenko, E. D.; Turyansky, V. A.; Khudukon, B. Z.; Yurik, R. Yu.; Frolov, V. L.

2018-01-01

We present the results of studying the characteristics of the artificial plasma structures excited in the ionospheric F2 region modified by high-power HF radio waves. The experiments were carried out at the Sura heating facility using satellite radio sounding of the ionosphere. The plasma density profile was reconstructed with the highest possible spatial resolution for today, about 4 km. In a direction close to the magnetic zenith of the pump wave, the following phenomena were observed: the formation of a cavity with a 15% lower plasma density at the altitudes of the F2 layer and below; the formation of an area with plasma density increased by 12% at altitudes greater than 400 km. With a long-term quasiperiodic impact of the pump wave on the ionosphere, wavy large-scale electron-density perturbations (the meridional scale λx ≈ 130 km and the vertical scale λz ≈ 440 km) are also formed above the Sura facility. These perturbations can be due to the plasma density modulation by an artificial acoustic-gravity wave with a period of 10.6 m, which was formed by the heat source inside a large-scale cavity with low plasma density; there is generation of the electron density irregularities for the electrons with ΔNe/Ne ≈ 3% in the form of layers having the sizes 10-12 km along and about 24 km across the geomagnetic field, which are found both below and above the F2-layer maximum. The mechanisms of the formation of these plasma structures are discussed.

Sequence and structural characterization of great salt lake bacteriophage CW02, a member of the T7-like supergroup.

PubMed

Shen, Peter S; Domek, Matthew J; Sanz-García, Eduardo; Makaju, Aman; Taylor, Ryan M; Hoggan, Ryan; Culumber, Michele D; Oberg, Craig J; Breakwell, Donald P; Prince, John T; Belnap, David M

2012-08-01

Halophage CW02 infects a Salinivibrio costicola-like bacterium, SA50, isolated from the Great Salt Lake. Following isolation, cultivation, and purification, CW02 was characterized by DNA sequencing, mass spectrometry, and electron microscopy. A conserved module of structural genes places CW02 in the T7 supergroup, members of which are found in diverse aquatic environments, including marine and freshwater ecosystems. CW02 has morphological similarities to viruses of the Podoviridae family. The structure of CW02, solved by cryogenic electron microscopy and three-dimensional reconstruction, enabled the fitting of a portion of the bacteriophage HK97 capsid protein into CW02 capsid density, thereby providing additional evidence that capsid proteins of tailed double-stranded DNA phages have a conserved fold. The CW02 capsid consists of bacteriophage lambda gpD-like densities that likely contribute to particle stability. Turret-like densities were found on icosahedral vertices and may represent a unique adaptation similar to what has been seen in other extremophilic viruses that infect archaea, such as Sulfolobus turreted icosahedral virus and halophage SH1.

May–June Maximum Temperature Reconstruction from Mean Earlywood Density in North Central China and Its Linkages to the Summer Monsoon Activities

PubMed Central

Chen, Feng; Yuan, Yujiang

2014-01-01

Cores of Pinus tabulaformis from Tianshui were subjected to densitometric analysis to obtain mean earlywood density data. Climate response analysis indicates that May–June maximum temperature is the main factor limiting the mean earlywood density (EWD) of Chinese pine trees in the Shimen Mountains. Based on the EWD chronology, we have reconstructed May–June maximum temperature 1666 to 2008 for Tianshui, north central China. The reconstruction explains 40.1% of the actual temperature variance during the common period 1953–2008. The temperature reconstruction is representative of temperature conditions over a large area to the southeast and northwest of the sampling site. Preliminary analysis of links between large-scale climatic variation and the temperature reconstruction shows that there is a relationship between extremes in spring temperature and anomalous atmospheric circulation in the region. It is thus revealed that the mean earlywood density chronology of Pinus tabulaformis has enough potential to reconstruct the temperature variability further into the past. PMID:25207554

Percolation Analysis of a Wiener Reconstruction of the IRAS 1.2 Jy Redshift Catalog

NASA Astrophysics Data System (ADS)

Yess, Capp; Shandarin, Sergei F.; Fisher, Karl B.

1997-01-01

We present percolation analyses of Wiener reconstructions of the IRAS 1.2 Jy redshift survey. There are 10 reconstructions of galaxy density fields in real space spanning the range β = 0.1-1.0, where β = Ω0.6/b, Ω is the present dimensionless density, and b is the bias factor. Our method uses the growth of the largest cluster statistic to characterize the topology of a density field, where Gaussian randomized versions of the reconstructions are used as standards for analysis. For the reconstruction volume of radius R ~ 100 h-1 Mpc, percolation analysis reveals a slight ``meatball'' topology for the real space, galaxy distribution of the IRAS survey.

Phase dilemma in natural orbital functional theory from the N-representability perspective

NASA Astrophysics Data System (ADS)

Mitxelena, Ion; Rodriguez-Mayorga, Mauricio; Piris, Mario

2018-06-01

Any rigorous approach to first-order reduced density matrix ( Γ) functional theory faces the phase dilemma, that is, having to deal with a large number of possible combinations of signs in terms of the electron-electron interaction energy. This problem was discovered by reducing a ground-state energy generated from an approximate N-particle wavefunction into a functional of Γ, known as the top-down method. Here, we show that the phase dilemma also appears in the bottom-up method, in which the functional E[ Γ] is generated by progressive inclusion of N-representability conditions on the reconstructed two-particle reduced density matrix. It is shown that an adequate choice of signs is essential to accurately describe model systems with strong non-dynamic (static) electron correlation, specifically, the one-dimensional Hubbard model with periodic boundary conditions and hydrogen rings. For the latter, the Piris natural orbital functional 7 (PNOF7), with phases equal to -1 for the inter-pair energy terms containing the exchange-time-inversion integrals, agrees with exact diagonalization results.

Transferability of electronic structure of four energetic materials by using single crystal and high resolution X-ray diffraction experiments

NASA Astrophysics Data System (ADS)

Chen, Yu-Sheng

The electronic structures of four energetic materials, trinitrodiazapentalene (C6H3N5O6, TNDAP), beta-1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (C4H8N8O8, beta-HMX), 1,3,3-trinitroazetidine (C3H4N4O6, TNAZ), and hexahydro-1,3,5-trinitro-1,3,5-s-triazine (C3H6N6O6, RDX), have been analyzed using Hansen-Coppens multipole refinements, using high resolution X-ray diffraction data collected at low temperature, as well as from theoretical calculated structure factors from the solid state phase using density functional theory (DFT), plus B3LYP level theory, and the 6-31G* basis set. However, when comparing both the deformation density and the electrostatic potentials from the theoretical results in TNDAP and TNAZ, they disagree with the experimental results. Therefore, those results have been deposited in appendices A4 and A6, for future reference. In HMX and RDX the theoretical results are in good agreement with experimental results. The physical properties derived from the electronic structure in these four energetic materials, such as multipole populations, the values of the electron density and its Laplacian of the electron density at the bond critical points, have also been calculated using "Atoms in Molecules" (AIM) theory both from the solid state phase calculation, and the experiment, as well as directly calculated from the free molecule in the gas phase. The electron density and the magnitude of its Laplacian from the gas phase are always larger than for the solid state phase calculation and the experiment. This may be due to the packing effect. The transferability of the experimental electronic structure of the NO 2 groups from HMX to TNDAP, TNAZ and RDX are also presented here. Even though the major populated multipoles are robust (small e.s.d.'s), these are few in number, compared with other lower populated multipoles for which the populations span a larger range. Since the deformation electron density distributions are reconstructed using linear combinations of the multipoles, it is necessary to give more degrees of freedom in the refinements. Therefore, those electron density distributions which have a wider range of the multipole populations should not be fixed in the refinements. Utilizing the same coordinate system setup in the multipole refinements of the functional groups, this system can be used as a starting point for solving the charge distribution of a larger system.

The intrapair electron correlation in natural orbital functional theory

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

Piris, M.; Donostia International Physics Center; IKERBASQUE, Basque Foundation for Science, 48011 Bilbao

2013-12-21

A previously proposed [M. Piris, X. Lopez, F. Ruipérez, J. M. Matxain, and J. M. Ugalde, J. Chem. Phys. 134, 164102 (2011)] formulation of the two-particle cumulant, based on an orbital-pairing scheme, is extended here for including more than two natural orbitals. This new approximation is used to reconstruct the two-particle reduced density matrix (2-RDM) constrained to the D, Q, and G positivity necessary conditions of the N-representable 2-RDM. In this way, we have derived an extended version of the Piris natural orbital functional 5 (PNOF5e). An antisymmetrized product of strongly orthogonal geminals with the expansion coefficients explicitly expressed bymore » the occupation numbers is also used to generate the PNOF5e. The theory is applied to the homolytic dissociation of selected diatomic molecules: H{sub 2}, LiH, and Li{sub 2}. The Bader's theory of atoms in molecules is used to analyze the electron density and the presence of non-nuclear maxima in the case of a set of light atomic clusters: Li{sub 2}, Li {sub 3}{sup +}, Li {sub 4}{sup 2+}, and H{sub 3}{sup +}. The improvement of PNOF5e over PNOF5 was observed by visualizing the electron densities.« less

Structure of gel phase DMPC determined by X-ray diffraction.

PubMed Central

Tristram-Nagle, Stephanie; Liu, Yufeng; Legleiter, Justin; Nagle, John F

2002-01-01

The structure of fully hydrated gel phase dimyristoylphosphatidylcholine lipid bilayers was obtained at 10 degrees C. Oriented lipid multilayers were used to obtain high signal-to-noise intensity data. The chain tilt angle and an estimate of the methylene electron density were obtained from wide angle reflections. The chain tilt angle is measured to be 32.3 +/- 0.6 degrees near full hydration, and it does not change as the sample is mildly dehydrated from a repeat spacing of D = 59.9 A to D = 56.5 A. Low angle diffraction peaks were obtained up to the tenth order for 17 samples with variable D and prepared by three different methods with different geometries. In addition to the usual Fourier reconstructions of the electron density profiles, model electron density profiles were fit to all the low angle data simultaneously while constraining the model to include the wide-angle data and the measured lipid volume. Results are obtained for area/lipid (A = 47.2 +/- 0.5 A(2)), the compressibility modulus (K(A) = 500 +/- 100 dyn/cm), various thicknesses, such as the hydrocarbon thickness (2D(C) = 30.3 +/- 0.2 A), and the head-to-head spacing (D(HH) = 40.1 +/- 0.1 A). PMID:12496100

Study of the Spacecraft Potential Under Active Control and Plasma Density Estimates During the MMS Commissioning Phase

NASA Technical Reports Server (NTRS)

Andriopoulou, M.; Nakamura, R.; Torkar, K.; Baumjohann, W.; Torbert, R. B.; Lindqvist, P.-A.; Khotyaintsev, Y. V.; Dorelli, John Charles; Burch, J. L.; Russell, C. T.

2016-01-01

Each spacecraft of the recently launched magnetospheric multiscale MMS mission is equipped with Active Spacecraft Potential Control (ASPOC) Instruments, which control the spacecraft potential in order to reduce spacecraft charging effects. ASPOC typically reduces the spacecraft potential to a few volts. On several occasions during the commissioning phase of the mission, the ASPOC instruments were operating only on one spacecraft at a time. Taking advantage of such intervals, we derive photoelectron curves and also perform reconstructions of the uncontrolled spacecraft potential for the spacecraft with active control and estimate the electron plasma density during those periods. We also establish the criteria under which our methods can be applied.

SU-F-J-213: Feasibility Study of Using a Dual-Energy Cone Beam CT (DECBCT) in Proton Therapy Treatment Planning

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

Peng, H; Xing, L; Kanehira, T

2016-06-15

Purpose: The aim of this study is to evaluate the feasibility of using a dual-energy CBCT (DECBCT) in proton therapy treatment planning to allow for accurate electron density estimation. Methods: For direct comparison, two scenarios were selected: a dual-energy fan-beam CT (high: 140 kVp, low: 80 kVp) and a DECBCT (high: 125 kVp, low: 80 kVp). A Gammex 467 tissue characterization phantom was used, including the rods of air, water, bone (B2–30% mineral), cortical bone (SB3), lung (LN-300), brain, liver and adipose. For the CBCT, Hounsfield Unit (HU) numbers were first obtained from the reconstructed images after a calibration wasmore » made based on water (=0) and air materials (=−1000). For each tissue surrogate, region-of-interest (ROI) analyses were made to derive high-energy and low-energy HU values (HUhigh and HUlow), which were subsequently used to estimate electron density based on the algorithm as previously described by Hunemohr N., et al. Parameters k1 and k2 are energy dependent and can be derived from calibration materials. Results: While for the dual-energy FBCT, the electron density is found be within +/−3% error relative to the values provided by the phantom vendor: −1.8% (water), 0.03% (lung), 1.1% (brain), −2.82% (adipose), −0.49% (liver) and −1.89% (cortical bones). While for the DECBCT, the estimation of electron density exhibits a relatively larger variation: −1.76% (water), −36.7% (lung), −1.92% (brain), −3.43% (adipose), 8.1% (liver) and 9.5% (cortical bones). Conclusion: For DECBCT, the accuracy of electron density estimation is inferior to that of a FBCT, especially for materials of either low-density (lung) or high density (cortical bone) compared to water. Such limitation arises from inaccurate HU number derivation in a CBCT. Advanced scatter-correction and HU calibration routines, as well as the deployment of photon counting CT detectors need be investigated to minimize the difference between FBCT and CBCT.« less

The Relationship Between Geographic Access to Plastic Surgeons and Breast Reconstruction Rates Among Women Undergoing Mastectomy for Cancer.

PubMed

Bauder, Andrew R; Gross, Cary P; Killelea, Brigid K; Butler, Paris D; Kovach, Stephen J; Fox, Justin P

2017-03-01

Despite a national health care policy requiring payers to cover breast reconstruction, rates of postmastectomy reconstruction are low, particularly among minority populations. We conducted this study to determine if geographic access to a plastic surgeon impacts breast reconstruction rates. Using 2010 inpatient and ambulatory surgery data from 10 states, we identified adult women who underwent mastectomy for breast cancer. Data were aggregated to the health service area (HSA) level and hierarchical generalized linear models were used to risk-standardize breast reconstruction rates (RSRR) across HSAs. The relationship between an HSA's RSRR and plastic surgeon density (surgeons/100,000 population) was quantified using correlation coefficients. The final cohort included 22,997 patients across 134 HSAs. There was substantial variation in plastic surgeon density (median, 1.4 surgeons/100,000; interquartile range, [0.0-2.6]/100,000) and the use of breast reconstruction (median RSRR, 43.0%; interquartile range, [29.9%-62.8%]) across HSAs. Higher plastic surgeon density was positively correlated with breast reconstruction rates (correlation coefficient = 0.66, P < 0.001) and inversely related to time between mastectomy and reconstruction (correlation coefficient = -0.19, P < 0.001). Non-white and publicly insured women were least likely to undergo breast reconstruction overall. Among privately insured patients, racial disparities were noted in high surgeon density areas (white = 79.0% vs. non-white = 63.3%; P < 0.001) but not in low surgeon density areas (34.4% vs 36.5%; P = 0.70). The lack of geographic access to a plastic surgeon serves as a barrier to breast reconstruction and may compound disparities in care associated with race and insurance status. Future efforts to improve equitable access should consider strategies to ensure access to appropriate clinical expertise.

Robust statistical reconstruction for charged particle tomography

DOEpatents

Schultz, Larry Joe; Klimenko, Alexei Vasilievich; Fraser, Andrew Mcleod; Morris, Christopher; Orum, John Christopher; Borozdin, Konstantin N; Sossong, Michael James; Hengartner, Nicolas W

2013-10-08

Systems and methods for charged particle detection including statistical reconstruction of object volume scattering density profiles from charged particle tomographic data to determine the probability distribution of charged particle scattering using a statistical multiple scattering model and determine a substantially maximum likelihood estimate of object volume scattering density using expectation maximization (ML/EM) algorithm to reconstruct the object volume scattering density. The presence of and/or type of object occupying the volume of interest can be identified from the reconstructed volume scattering density profile. The charged particle tomographic data can be cosmic ray muon tomographic data from a muon tracker for scanning packages, containers, vehicles or cargo. The method can be implemented using a computer program which is executable on a computer.

Interactions between C and Cu atoms in single-layer graphene: direct observation and modelling.

PubMed

Kano, Emi; Hashimoto, Ayako; Kaneko, Tomoaki; Tajima, Nobuo; Ohno, Takahisa; Takeguchi, Masaki

2016-01-07

Metal doping into the graphene lattice has been studied recently to develop novel nanoelectronic devices and to gain an understanding of the catalytic activities of metals in nanocarbon structures. Here we report the direct observation of interactions between Cu atoms and single-layer graphene by transmission electron microscopy. We document stable configurations of Cu atoms in the graphene sheet and unique transformations of graphene promoted by Cu atoms. First-principles calculations based on density functional theory reveal a reduction of energy barrier that caused rotation of C-C bonds near Cu atoms. We discuss two driving forces, electron irradiation and in situ heating, and conclude that the observed transformations were mainly promoted by electron irradiation. Our results suggest that individual Cu atoms can promote reconstruction of single-layer graphene.

A Method for 3D-Reconstruction of a Muscle Thick Filament Using the Tilt Series Images of a Single Filament Electron Tomogram

PubMed Central

Márquez, G.; Pinto, A.; Alamo, L.; Baumann, B.; Ye, F.; Winkler, H.; Taylor, K.; Padrón, R.

2014-01-01

Summary Myosin interacting-heads (MIH) motifs are visualized in 3D-reconstructions of thick filaments from striated muscle. These reconstructions are calculated by averaging methods using images from electron micrographs of grids prepared using numerous filament preparations. Here we propose an alternative method to calculate the 3D-reconstruction of a single thick filament using only a tilt series images recorded by electron tomography. Relaxed thick filaments, prepared from tarantula leg muscle homogenates, were negatively stained. Single-axis tilt series of single isolated thick filaments were obtained with the electron microscope at a low electron dose, and recorded on a CCD camera by electron tomography. An IHRSR 3D-recontruction was calculated from the tilt series images of a single thick filament. The reconstruction was enhanced by including in the search stage dual tilt image segments while only single tilt along the filament axis is usually used, as well as applying a band pass filter just before the back projection. The reconstruction from a single filament has a 40 Å resolution and clearly shows the presence of MIH motifs. In contrast, the electron tomogram 3D-reconstruction of the same thick filament –calculated without any image averaging and/or imposition of helical symmetry- only reveals MIH motifs infrequently. This is –to our knowledge- the first application of the IHRSR method to calculate a 3D reconstruction from tilt series images. This single filament IHRSR reconstruction method (SF-IHRSR) should provide a new tool to assess structural differences between well-ordered thick (or thin) filaments in a grid by recording separately their electron tomograms. PMID:24727133

A method for 3D-reconstruction of a muscle thick filament using the tilt series images of a single filament electron tomogram.

PubMed

Márquez, G; Pinto, A; Alamo, L; Baumann, B; Ye, F; Winkler, H; Taylor, K; Padrón, R

2014-05-01

Myosin interacting-heads (MIH) motifs are visualized in 3D-reconstructions of thick filaments from striated muscle. These reconstructions are calculated by averaging methods using images from electron micrographs of grids prepared using numerous filament preparations. Here we propose an alternative method to calculate the 3D-reconstruction of a single thick filament using only a tilt series images recorded by electron tomography. Relaxed thick filaments, prepared from tarantula leg muscle homogenates, were negatively stained. Single-axis tilt series of single isolated thick filaments were obtained with the electron microscope at a low electron dose, and recorded on a CCD camera by electron tomography. An IHRSR 3D-recontruction was calculated from the tilt series images of a single thick filament. The reconstruction was enhanced by including in the search stage dual tilt image segments while only single tilt along the filament axis is usually used, as well as applying a band pass filter just before the back projection. The reconstruction from a single filament has a 40 Å resolution and clearly shows the presence of MIH motifs. In contrast, the electron tomogram 3D-reconstruction of the same thick filament - calculated without any image averaging and/or imposition of helical symmetry - only reveals MIH motifs infrequently. This is - to our knowledge - the first application of the IHRSR method to calculate a 3D reconstruction from tilt series images. This single filament IHRSR reconstruction method (SF-IHRSR) should provide a new tool to assess structural differences between well-ordered thick (or thin) filaments in a grid by recording separately their electron tomograms. Copyright © 2014 Elsevier Inc. All rights reserved.

Dynamic polarizability of tungsten atoms reconstructed from fast electrical explosion of fine wires in vacuum

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

Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.

For nanosecond electrical explosion of fine metal wires in vacuum generates calibrated, radially expanded gas cylinders of metal atoms are surrounded by low-density fast expanding plasma corona. Here, a novel integrated-phase technique, based on laser interferometry, provides the dynamic dipole polarizability of metal atoms. This data was previously unavailable for tungsten atoms. Furthermore, an extremely high melting temperature and significant pre-melt electronic emission make these measurements particularly complicated for this refractory metal.

Dynamic polarizability of tungsten atoms reconstructed from fast electrical explosion of fine wires in vacuum

DOE PAGES

Sarkisov, G. S.; Rosenthal, S. E.; Struve, K. W.

2016-10-12

For nanosecond electrical explosion of fine metal wires in vacuum generates calibrated, radially expanded gas cylinders of metal atoms are surrounded by low-density fast expanding plasma corona. Here, a novel integrated-phase technique, based on laser interferometry, provides the dynamic dipole polarizability of metal atoms. This data was previously unavailable for tungsten atoms. Furthermore, an extremely high melting temperature and significant pre-melt electronic emission make these measurements particularly complicated for this refractory metal.

III-Nitride, SiC and Diamond Materials for Electronic Devices. Symposium Held April 8-12 1996, San Francisco, California, U.S.A. Volume 423.

DTIC Science & Technology

1996-12-01

gallium, nitrogen and gallium nitride structures. Thus it can be shown to be transferable and efficient for predictive molecular -dynamic simulations on...potentials and forces for the molecular dynamics simulations are derived by means of a density-functional based nonorthogonal tight-binding (DF-TB) scheme...LDA). Molecular -dynamics simulations for determining the different reconstructions of the SiC surface use the slab method (two-dimensional periodic

Current sheet in plasma as a system with a controlling parameter

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

Fridman, Yu. A., E-mail: yulya-fridman@yandex.ru; Chukbar, K. V., E-mail: Chukbar-KV@nrcki.ru

2015-08-15

A simple kinetic model describing stationary solutions with bifurcated and single-peaked current density profiles of a plane electron beam or current sheet in plasma is presented. A connection is established between the two-dimensional constructions arising in terms of the model and the one-dimensional considerations by Bernstein−Greene−Kruskal facilitating the reconstruction of the distribution function of trapped particles when both the profile of the electric potential and the free particles distribution function are known.

Optimal control of a coupled partial and ordinary differential equations system for the assimilation of polarimetry Stokes vector measurements in tokamak free-boundary equilibrium reconstruction with application to ITER

NASA Astrophysics Data System (ADS)

Faugeras, Blaise; Blum, Jacques; Heumann, Holger; Boulbe, Cédric

2017-08-01

The modelization of polarimetry Faraday rotation measurements commonly used in tokamak plasma equilibrium reconstruction codes is an approximation to the Stokes model. This approximation is not valid for the foreseen ITER scenarios where high current and electron density plasma regimes are expected. In this work a method enabling the consistent resolution of the inverse equilibrium reconstruction problem in the framework of non-linear free-boundary equilibrium coupled to the Stokes model equation for polarimetry is provided. Using optimal control theory we derive the optimality system for this inverse problem. A sequential quadratic programming (SQP) method is proposed for its numerical resolution. Numerical experiments with noisy synthetic measurements in the ITER tokamak configuration for two test cases, the second of which is an H-mode plasma, show that the method is efficient and that the accuracy of the identification of the unknown profile functions is improved compared to the use of classical Faraday measurements.

Period-doubling reconstructions of semiconductor partial dislocations

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

Park, Ji -Sang; Huang, Bing; Wei, Su -Huai

2015-09-18

Atomic-scale understanding and control of dislocation cores is of great technological importance, because they act as recombination centers for charge carriers in optoelectronic devices. Using hybrid density-functional calculations, we present period-doubling reconstructions of a 90 degrees partial dislocation in GaAs, for which the periodicity of like-atom dimers along the dislocation line varies from one to two, to four dimers. The electronic properties of a dislocation change drastically with each period doubling. The dimers in the single-period dislocation are able to interact, to form a dispersive one-dimensional band with deep-gap states. However, the inter-dimer interaction for the double-period dislocation becomes significantlymore » reduced; hence, it is free of mid-gap states. The Ga core undergoes a further period-doubling transition to a quadruple-period reconstruction induced by the formation of small hole polarons. In conclusion, the competition between these dislocation phases suggests a new passivation strategy via population manipulation of the detrimental single-period phase.« less

3D Compton scattering imaging and contour reconstruction for a class of Radon transforms

NASA Astrophysics Data System (ADS)

Rigaud, Gaël; Hahn, Bernadette N.

2018-07-01

Compton scattering imaging is a nascent concept arising from the current development of high-sensitive energy detectors and is devoted to exploit the scattering radiation to image the electron density of the studied medium. Such detectors are able to collect incoming photons in terms of energy. This paper introduces potential 3D modalities in Compton scattering imaging (CSI). The associated measured data are modeled using a class of generalized Radon transforms. The study of this class of operators leads to build a filtered back-projection kind algorithm preserving the contours of the sought-for function and offering a fast approach to partially solve the associated inverse problems. Simulation results including Poisson noise demonstrate the potential of this new imaging concept as well as the proposed image reconstruction approach.

Ferromagnetism regulated by edged cutting and optical identification in monolayer PtSe2 nanoribbons

NASA Astrophysics Data System (ADS)

Meng, Ming; Zhang, QiZhen; Wang, Lifen; Shan, Yun; Du, Yuandong; Qin, Nan; Liu, Lizhe

2018-06-01

Regulation of ferromagnetism and electronic structure in PtSe2 nanostructures has attracted much attention because of its potential in spintronics. The magnetic and optical properties of PtSe2 nanoribbons with different edge reconstruction and external deformations are calculated by density function theory. In 1 T phase PtSe2 nanoribbons, the ferromagnetism induced by spin polarization of exposed Pt or Se atoms is decreased with the reducing nanoribbon width. For smaller nanoribbon, the magnetism can be regulated by external strain more easily. However, the magnetism cannot occur in 1 H phase PtSe2 nanoribbon. The absorption spectra are suggested to identify the nanoribbon structural changes in detail. Our results suggest the use of edge reconstruction and strain engineering in spintronics applications.

Native gallium adatoms discovered on atomically-smooth gallium nitride surfaces at low temperature.

PubMed

Alam, Khan; Foley, Andrew; Smith, Arthur R

2015-03-11

In advanced compound semiconductor devices, such as in quantum dot and quantum well systems, detailed atomic configurations at the growth surfaces are vital in determining the structural and electronic properties. Therefore, it is important to investigate the surface reconstructions in order to make further technological advancements. Usually, conventional semiconductor surfaces (e.g., arsenides, phosphides, and antimonides) are highly reactive due to the existence of a high density of group V (anion) surface dangling bonds. However, in the case of nitrides, group III rich growth conditions in molecular beam epitaxy are usually preferred leading to group III (Ga)-rich surfaces. Here, we use low-temperature scanning tunneling microscopy to reveal a uniform distribution of native gallium adatoms with a density of 0.3%-0.5% of a monolayer on the clean, as-grown surface of nitrogen polar GaN(0001̅) having the centered 6 × 12 reconstruction. Unseen at room temperature, these Ga adatoms are strongly bound to the surface but move with an extremely low surface diffusion barrier and a high density saturation coverage in thermodynamic equilibrium with Ga droplets. Furthermore, the Ga adatoms reveal an intrinsic surface chirality and an asymmetric site occupation. These observations can have important impacts in the understanding of gallium nitride surfaces.

Surface determination through atomically resolved secondary-electron imaging

PubMed Central

Ciston, J.; Brown, H. G.; D'Alfonso, A. J.; Koirala, P.; Ophus, C.; Lin, Y.; Suzuki, Y.; Inada, H.; Zhu, Y.; Allen, L. J.; Marks, L. D.

2015-01-01

Unique determination of the atomic structure of technologically relevant surfaces is often limited by both a need for homogeneous crystals and ambiguity of registration between the surface and bulk. Atomically resolved secondary-electron imaging is extremely sensitive to this registration and is compatible with faceted nanomaterials, but has not been previously utilized for surface structure determination. Here we report a detailed experimental atomic-resolution secondary-electron microscopy analysis of the c(6 × 2) reconstruction on strontium titanate (001) coupled with careful simulation of secondary-electron images, density functional theory calculations and surface monolayer-sensitive aberration-corrected plan-view high-resolution transmission electron microscopy. Our work reveals several unexpected findings, including an amended registry of the surface on the bulk and strontium atoms with unusual seven-fold coordination within a typically high surface coverage of square pyramidal TiO5 units. Dielectric screening is found to play a critical role in attenuating secondary-electron generation processes from valence orbitals. PMID:26082275

Surface determination through atomically resolved secondary-electron imaging

DOE PAGES

Ciston, J.; Brown, H. G.; D’Alfonso, A. J.; ...

2015-06-17

We report that unique determination of the atomic structure of technologically relevant surfaces is often limited by both a need for homogeneous crystals and ambiguity of registration between the surface and bulk. Atomically resolved secondary-electron imaging is extremely sensitive to this registration and is compatible with faceted nanomaterials, but has not been previously utilized for surface structure determination. Here we show a detailed experimental atomic-resolution secondary-electron microscopy analysis of the c(6 x 2) reconstruction on strontium titanate (001) coupled with careful simulation of secondary-electron images, density functional theory calculations and surface monolayer-sensitive aberration-corrected plan-view high-resolution transmission electron microscopy. Our workmore » reveals several unexpected findings, including an amended registry of the surface on the bulk and strontium atoms with unusual seven-fold coordination within a typically high surface coverage of square pyramidal TiO 5 units. Lastly, dielectric screening is found to play a critical role in attenuating secondary-electron generation processes from valence orbitals.« less

Properties of two-fluid flowing equilibria observed in double-pulsing coaxial helicity injection on HIST

NASA Astrophysics Data System (ADS)

Kanki, T.; Nagata, M.

2013-10-01

Multi-pulsing coaxial helicity injection (M-CHI) method which aims to achieve both quasi-steady sustainment and good confinement has been proposed as a refluxing scenario of the CHI. To explore the usefulness of the M-CHI for spherical torus (ST) configurations, the double-pulsing operations have been carried out in the HIST, verifying the flux amplification and the formation of the closed flux surfaces after the second CHI pulse. The purpose of this study is to investigate the properties of the magnetic field and plasma flow structures during the sustainment by comparing the results of plasma flow, density, and magnetic fields measurements with those of two-fluid equilibrium calculations. The two-fluid flowing equilibrium model which is described by a pair of generalized Grad-Shafranov equations for ion and electron surface variables and Bernoulli equations for density is applied to reconstruct the ST configuration with poloidal flow shear observed in the HIST. Due to the negative steep density gradient in high field side, the toroidal field has a diamagnetic profile (volume average beta, < β > = 68 %) in the central open flux column region. The ion flow velocity with strong flow shear from the separatrix in the inboard side to the core region is the opposite direction to the electron flow velocity due to the diamagentic drift through the density gradient. The electric field is relatively small in the whole region, and thus the Lorentz force nearly balances with the two-fluid effect which is particularly significant in a region with the steep density gradient due to the ion and electron diamagnetic drifts.

Kondo interactions from band reconstruction in YbInCu 4

DOE PAGES

Jarrige, I.; Kotani, A.; Yamaoka, H.; ...

2015-03-27

We combine resonant inelastic X-ray scattering (RIXS) and model calculations in the Kondo lattice compound YbInCu₄, a system characterized by a dramatic increase in Kondo temperature and associated valence fluctuations below a first-order valence transition at T≃42 K. In this study, the bulk-sensitive, element-specific, and valence-projected charge excitation spectra reveal an unusual quasi-gap in the Yb-derived state density which drives an instability of the electronic structure and renormalizes the low-energy effective Hamiltonian at the transition. Our results provide long-sought experimental evidence for a link between temperature-driven changes in the low-energy Kondo scale and the higher-energy electronic structure of this system.

Pb chains on reconstructed Si(335) surface

NASA Astrophysics Data System (ADS)

Krawiec, Mariusz

2009-04-01

The structural and electronic properties of Si(335)-Au surface decorated with Pb atoms are studied by means of density-functional theory. The resulting structural model features Pb atoms bonded to neighboring Si and Au surface atoms, forming monoatomic chain located 0.2 nm above the surface. The presence of Pb chain leads to a strong rebonding of Si atoms at the step edge. The fact that Pb atoms occupy positions in the middle of terrace is consistent with scanning tunneling microscopy (STM) data and also confirmed by simulated STM images. The calculated band structure clearly shows one-dimensional metallic character. The calculated electronic bands remain in very good agreement with photoemission data.

Imaging of current density distributions with a Nb weak-link scanning nano-SQUID microscope

PubMed Central

Shibata, Yusuke; Nomura, Shintaro; Kashiwaya, Hiromi; Kashiwaya, Satoshi; Ishiguro, Ryosuke; Takayanagi, Hideaki

2015-01-01

Superconducting quantum interference devices (SQUIDs) are accepted as one of the highest magnetic field sensitive probes. There are increasing demands to image local magnetic fields to explore spin properties and current density distributions in a two-dimensional layer of semiconductors or superconductors. Nano-SQUIDs have recently attracting much interest for high spatial resolution measurements in nanometer-scale samples. Whereas weak-link Dayem Josephson junction nano-SQUIDs are suitable to miniaturization, hysteresis in current-voltage (I-V) characteristics that is often observed in Dayem Josephson junction is not desirable for a scanning microscope. Here we report on our development of a weak-link nano-SQUIDs scanning microscope with small hysteresis in I-V curve and on reconstructions of two-dimensional current density vector in two-dimensional electron gas from measured magnetic field. PMID:26459874

Imaging of current density distributions with a Nb weak-link scanning nano-SQUID microscope

NASA Astrophysics Data System (ADS)

Shibata, Yusuke; Nomura, Shintaro; Kashiwaya, Hiromi; Kashiwaya, Satoshi; Ishiguro, Ryosuke; Takayanagi, Hideaki

2015-10-01

Superconducting quantum interference devices (SQUIDs) are accepted as one of the highest magnetic field sensitive probes. There are increasing demands to image local magnetic fields to explore spin properties and current density distributions in a two-dimensional layer of semiconductors or superconductors. Nano-SQUIDs have recently attracting much interest for high spatial resolution measurements in nanometer-scale samples. Whereas weak-link Dayem Josephson junction nano-SQUIDs are suitable to miniaturization, hysteresis in current-voltage (I-V) characteristics that is often observed in Dayem Josephson junction is not desirable for a scanning microscope. Here we report on our development of a weak-link nano-SQUIDs scanning microscope with small hysteresis in I-V curve and on reconstructions of two-dimensional current density vector in two-dimensional electron gas from measured magnetic field.

Recent advances in the application of electron tomography to materials chemistry.

PubMed

Leary, Rowan; Midgley, Paul A; Thomas, John Meurig

2012-10-16

Nowadays, tomography plays a central role in pureand applied science, in medicine, and in many branches of engineering and technology. It entails reconstructing the three-dimensional (3D) structure of an object from a tilt series of two-dimensional (2D) images. Its origin goes back to 1917, when Radon showed mathematically how a series of 2D projection images could be converted to the 3D structural one. Tomographic X-ray and positron scanning for 3D medical imaging, with a resolution of ∼1 mm, is now ubiquitous in major hospitals. Electron tomography, a relatively new chemical tool, with a resolution of ∼1 nm, has been recently adopted by materials chemists as an invaluable aid for the 3D study of the morphologies, spatially-discriminating chemical compositions, and defect properties of nanostructured materials. In this Account, we review the advances that have been made in facilitating the recording of the required series of 2D electron microscopic images and the subsequent process of 3D reconstruction of specimens that are vulnerable, to a greater or lesser degree, to electron beam damage. We describe how high-fidelity 3D tomograms may be obtained from relatively few 2D images by incorporating prior structural knowledge into the reconstruction process. In particular, we highlight the vital role of compressed sensing, a recently developed procedure well-known to information theorists that exploits ideas of image compression and "sparsity" (that the important image information can be captured in a reduced data set). We also touch upon another promising approach, "discrete" tomography, which builds into the reconstruction process a prior assumption that the object can be described in discrete terms, such as the number of constituent materials and their expected densities. Other advances made recently that we outline, such as the availability of aberration-corrected electron microscopes, electron wavelength monochromators, and sophisticated specimen goniometers, have all contributed significantly to the further development of quantitative 3D studies of nanostructured materials, including nanoparticle-heterogeneous catalysts, fuel-cell components, and drug-delivery systems, as well as photovoltaic and plasmonic devices, and are likely to enhance our knowledge of many other facets of materials chemistry, such as organic-inorganic composites, solar-energy devices, bionanotechnology, biomineralization, and energy-storage systems composed of high-permittivity metal oxides.

Titan Density Reconstruction Using Radiometric and Cassini Attitude Control Flight Data

NASA Technical Reports Server (NTRS)

Andrade, Luis G., Jr.; Burk, Thomas A.

2015-01-01

This paper compares three different methods of Titan atmospheric density reconstruction for the Titan 87 Cassini flyby. T87 was a unique flyby that provided independent Doppler radiometric measurements on the ground throughout the flyby including at Titan closest approach. At the same time, the onboard accelerometer provided an independent estimate of atmospheric drag force and density during the flyby. These results are compared with the normal method of reconstructing atmospheric density using thruster on-time and angular momentum accumulation. Differences between the estimates are analyzed and a possible explanation for the differences is evaluated.

Topside correction of IRI by global modeling of ionospheric scale height using COSMIC radio occultation data

NASA Astrophysics Data System (ADS)

Wu, M. J.; Guo, P.; Fu, N. F.; Xu, T. L.; Xu, X. S.; Jin, H. L.; Hu, X. G.

2016-06-01

The ionosphere scale height is one of the most significant ionospheric parameters, which contains information about the ion and electron temperatures and dynamics in upper ionosphere. In this paper, an empirical orthogonal function (EOF) analysis method is applied to process all the ionospheric radio occultations of GPS/COSMIC (Constellation Observing System for Meteorology, Ionosphere, and Climate) from the year 2007 to 2011 to reconstruct a global ionospheric scale height model. This monthly medium model has spatial resolution of 5° in geomagnetic latitude (-87.5° ~ 87.5°) and temporal resolution of 2 h in local time. EOF analysis preserves the characteristics of scale height quite well in the geomagnetic latitudinal, anural, seasonal, and diurnal variations. In comparison with COSMIC measurements of the year of 2012, the reconstructed model indicates a reasonable accuracy. In order to improve the topside model of International Reference Ionosphere (IRI), we attempted to adopt the scale height model in the Bent topside model by applying a scale factor q as an additional constraint. With the factor q functioning in the exponent profile of topside ionosphere, the IRI scale height should be forced equal to the precise COSMIC measurements. In this way, the IRI topside profile can be improved to get closer to the realistic density profiles. Internal quality check of this approach is carried out by comparing COSMIC realistic measurements and IRI with or without correction, respectively. In general, the initial IRI model overestimates the topside electron density to some extent, and with the correction introduced by COSMIC scale height model, the deviation of vertical total electron content (VTEC) between them is reduced. Furthermore, independent validation with Global Ionospheric Maps VTEC implies a reasonable improvement in the IRI VTEC with the topside model correction.

Fast and low-dose computed laminography using compressive sensing based technique

NASA Astrophysics Data System (ADS)

Abbas, Sajid; Park, Miran; Cho, Seungryong

2015-03-01

Computed laminography (CL) is well known for inspecting microstructures in the materials, weldments and soldering defects in high density packed components or multilayer printed circuit boards. The overload problem on x-ray tube and gross failure of the radio-sensitive electronics devices during a scan are among important issues in CL which needs to be addressed. The sparse-view CL can be one of the viable option to overcome such issues. In this work a numerical aluminum welding phantom was simulated to collect sparsely sampled projection data at only 40 views using a conventional CL scanning scheme i.e. oblique scan. A compressive-sensing inspired total-variation (TV) minimization algorithm was utilized to reconstruct the images. It is found that the images reconstructed using sparse view data are visually comparable with the images reconstructed using full scan data set i.e. at 360 views on regular interval. We have quantitatively confirmed that tiny structures such as copper and tungsten slags, and copper flakes in the reconstructed images from sparsely sampled data are comparable with the corresponding structure present in the fully sampled data case. A blurring effect can be seen near the edges of few pores at the bottom of the reconstructed images from sparsely sampled data, despite the overall image quality is reasonable for fast and low-dose NDT.

Probing the electronic transport on the reconstructed Au/Ge(001) surface

PubMed Central

Krok, Franciszek; Kaspers, Mark R; Bernhart, Alexander M; Nikiel, Marek; Jany, Benedykt R; Indyka, Paulina; Wojtaszek, Mateusz; Möller, Rolf

2014-01-01

Summary By using scanning tunnelling potentiometry we characterized the lateral variation of the electrochemical potential µec on the gold-induced Ge(001)-c(8 × 2)-Au surface reconstruction while a lateral current flows through the sample. On the reconstruction and across domain boundaries we find that µec shows a constant gradient as a function of the position between the contacts. In addition, nanoscale Au clusters on the surface do not show an electronic coupling to the gold-induced surface reconstruction. In combination with high resolution scanning electron microscopy and transmission electron microscopy, we conclude that an additional transport channel buried about 2 nm underneath the surface represents a major transport channel for electrons. PMID:25247129

Electronic structure studies of Ni( 1 0 0 ) surface reconstructions resulting from carbon, nitrogen, or oxygen atom adsorption

NASA Astrophysics Data System (ADS)

Kirsch, Janet E.; Harris, Suzanne

2003-01-01

Solid-state Fenske-Hall band structure calculations have been used to study the different surface structures which result from adsorption of a half monolayer of C, N, or O atoms on the Ni(1 0 0) surface. C or N atoms sit nearly coplanar with the surface Ni atoms and induce the "clock" reconstruction of the surface. In contrast, adsorbed O atoms sit slightly above the Ni(1 0 0) surface plane and have little effect on the overall surface structure. The local environments of the C, N, and O atoms on these surfaces are similar to their environments in a series of late transition metal carbonyl clusters, suggesting that some of the same electronic factors may play a role in favoring the different structures. Results of the calculations indicate that when adsorbates occupy coplanar sites on Ni(1 0 0), much of the Ni-Ni bonding within the surface layer and between the surface- and second-layers is disrupted. On the C- and N-covered surfaces the disruption is more than compensated for by the formation of strong adsorbate-Ni bonds and by new Ni-Ni surface bonds resulting from the clock reconstruction. When O is forced into a coplanar site, however, both the higher electron count and increased electronegativity of the O atoms lead to severe disruption of the surface bonding and weak Ni-O bonds. When O atoms sit above the surface, they form more polar Ni-O bonds, contribute less electron density to the Ni surface bands, and cause less disruption to Ni-Ni surface bonds. These results suggest that, similar to the organometallic clusters, the site preferences of C, N, and O atoms are directly related to their electron count, and in turn to the relative occupation of both Ni-Ni and X-Ni (X=C, N, O) antibonding bands.

An overview of optical diagnostics developed for the Lockheed Martin compact fusion reactor

NASA Astrophysics Data System (ADS)

Sommers, Bradley; Raymond, Anthony; Gucker, Sarah; Lockheed Martin Compact Fusion Reactor Team

2017-10-01

The T4B experiment is a linear, encapsulated ring cusp confinement device, designed to develop a physics and technology basis for a follow-on high beta machine as part of the compact fusion reactor program. Toward this end, a collection of non-invasive optical diagnostics have been developed to investigate confinement, neutral beam heating, and source behavior on the T4B device. These diagnostics include: (1) a multipoint Thomson scattering system employing a 532 nm Nd:YAG laser and high throughput spectrometer to measure 1D profiles of electron density and temperature, (2) a dispersion interferometer utilizing a continuous-wave CO2 laser (10.6 μm) to measure time resolved, line-integrated electron density, and (3) a bolometer suite utilizing four AXUV photodiodes with 64 lines of sight to generate 2D reconstructions of total radiative power and soft x-ray emission (via beryllium filters). An overview of design methods, including laser systems, detection schemes, and data analysis techniques is presented as well as results to date.

KASCADE-Grande energy reconstruction based on the lateral density distribution using the QGSJet-II.04 interaction model

NASA Astrophysics Data System (ADS)

Gherghel-Lascu, A.; Apel, W. D.; Arteaga-Velázquez, J. C.; Bekk, K.; Bertania, M.; Blümer, J.; Bozdog, H.; Brancus, I. M.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; Di Pierro, F.; Doll, P.; Engel, R.; Fuhrmann, D.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huber, D.; Huege, T.; Kampert, K.-H.; Kang, D.; Klages, H. O.; Link, K.; Łuczak, P.; Mathes, H. J.; Mayer, H. J.; Milke, J.; Mitrica, B.; Morello, C.; Oehlschläger, J.; Ostapchenko, S.; Palmieri, N.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schoo, S.; Schröder, F. G.; Sima, O.; Toma, G.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Zabierowski, J.

2017-06-01

The charged particle densities obtained from CORSIKA simulated EAS, using the QGSJet-II.04 hadronic interaction model are used for primary energy reconstruction. Simulated data are reconstructed by using Lateral Energy Correction Functions computed with a new realistic model of the Grande stations implemented in Geant4.10.

Evolution of 3D electron density of the solar corona from the minimum to maximum of Solar Cycle 24

NASA Astrophysics Data System (ADS)

Wang, Tongjiang; Reginald, Nelson L.; Davila, Joseph M.; St Cyr, O. C.

2016-10-01

The variability of the solar white-light corona and its connection to the solar activity has been studied for more than a half century. It is widely accepted that the temporal variation of the total radiance of the K-corona follows the solar cycle pattern (e.g., correlated with sunspot number). However, the origin of this variation and its relationships with regard to coronal mass ejections and the solar wind are yet to be clearly understood. COR1-A and -B instruments onboard the STEREO spacecraft have continued to perform high-cadence (5 min) polarized brightness (pB) measurements from two different vantage points from the solar minimum to the solar maximum of Solar Cycle 24. With these pB observations we have reconstructed the 3D coronal density between 1.5-4.0 solar radii for 100 Carrington rotations (CRs) from 2007 to 2014 using the spherically symmetric inversion (SSI) method. We validate these 3D density reconstructions by other means such as tomography, MHD modeling, and pB inversion of LASCO/C2 data. We analyze the solar cycle variations of total coronal mass (or average density) over the global Sun and in two hemispheres, as well as the variations of the streamer area and mean density. We find the short-term oscillations of 8-9 CRs during the ascending and maximum phases through wavelet analysis. We explore the origin of these oscillations based on evolution of the photospheric magnetic flux and coronal structures.

Polaron-mediated surface reconstruction in the reduced Rutile TiO2 (110) surface

NASA Astrophysics Data System (ADS)

Reticcioli, Michele; Setvin, Martin; Hao, Xianfeng; Diebold, Ulrike; Franchini, Cesare

The role of polarons is of key importance for the understanding of the fundamental properties and functionalities of TiO2. We use density functional theory with an on-site Coulomb interaction and molecular dynamics to study the formation and dynamics of small polarons in the reduced rutile (110) surface. We show that excess electrons donated by oxygen-vacancies (VO) form mobile small polarons that hop easily in subsurface and surface Ti-sites. The polaron formation becomes more favorable by increasing the VO concentration level (up to 20%) due to the progressively lower energy cost needed to distort the lattice. However, at higher VO concentration the shortening of the averaged polaron-polaron distance leads to an increased Coulomb repulsion among the trapped charges at the Ti-sites, which weakens this trend. This instability is overtaken by means of a structural 1 × 2 surface reconstruction, characterized by a distinctively more favorable polaron distribution. The calculations are validated by a direct comparison with experimental AFM and STM data. Our study identifies a fundamentally novel mechanism to drive surface reconstructions and resolves a long standing issue on the origin of the reconstruction in rutile (110) surface.

Experimental and theoretical charge density studies at subatomic resolution.

PubMed

Fischer, A; Tiana, D; Scherer, W; Batke, K; Eickerling, G; Svendsen, H; Bindzus, N; Iversen, B B

2011-11-17

Analysis of accurate experimental and theoretical structure factors of diamond and silicon reveals that the contraction of the core shell due to covalent bond formation causes significant perturbations of the total charge density that cannot be ignored in precise charge density studies. We outline that the nature and origin of core contraction/expansion and core polarization phenomena can be analyzed by experimental studies employing an extended Hansen-Coppens multipolar model. Omission or insufficient treatment of these subatomic charge density phenomena might yield erroneous thermal displacement parameters and high residual densities in multipolar refinements. Our detailed studies therefore suggest that the refinement of contraction/expansion and population parameters of all atomic shells is essential to the precise reconstruction of electron density distributions by a multipolar model. Furthermore, our results imply that also the polarization of the inner shells needs to be adopted, especially in cases where second row or even heavier elements are involved in covalent bonding. These theoretical studies are supported by direct multipolar refinements of X-ray powder diffraction data of diamond obtained from a third-generation synchrotron-radiation source (SPring-8, BL02B2).

Optimization, evaluation, and comparison of standard algorithms for image reconstruction with the VIP-PET.

PubMed

Mikhaylova, E; Kolstein, M; De Lorenzo, G; Chmeissani, M

2014-07-01

A novel positron emission tomography (PET) scanner design based on a room-temperature pixelated CdTe solid-state detector is being developed within the framework of the Voxel Imaging PET (VIP) Pathfinder project [1]. The simulation results show a great potential of the VIP to produce high-resolution images even in extremely challenging conditions such as the screening of a human head [2]. With unprecedented high channel density (450 channels/cm 3 ) image reconstruction is a challenge. Therefore optimization is needed to find the best algorithm in order to exploit correctly the promising detector potential. The following reconstruction algorithms are evaluated: 2-D Filtered Backprojection (FBP), Ordered Subset Expectation Maximization (OSEM), List-Mode OSEM (LM-OSEM), and the Origin Ensemble (OE) algorithm. The evaluation is based on the comparison of a true image phantom with a set of reconstructed images obtained by each algorithm. This is achieved by calculation of image quality merit parameters such as the bias, the variance and the mean square error (MSE). A systematic optimization of each algorithm is performed by varying the reconstruction parameters, such as the cutoff frequency of the noise filters and the number of iterations. The region of interest (ROI) analysis of the reconstructed phantom is also performed for each algorithm and the results are compared. Additionally, the performance of the image reconstruction methods is compared by calculating the modulation transfer function (MTF). The reconstruction time is also taken into account to choose the optimal algorithm. The analysis is based on GAMOS [3] simulation including the expected CdTe and electronic specifics.

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

NASA Astrophysics Data System (ADS)

Weng, Yakui; Zhang, Jun-Jie; Gao, Bin; Dong, Shuai

2017-04-01

At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density functional theory and maximally localized Wannier functions are employed to investigate the (LaTiO3)n/(LaVO3)n magnetic superlattices. The electron transfer from Ti3 + to V3 + is predicted, which violates the intuitive band alignment based on the electronic structures of LaTiO3 and LaVO3. Such unconventional charge transfer quenches the magnetism of LaTiO3 layer mostly and leads to metal-insulator transition in the n =1 superlattice when the stacking orientation is altered. In addition, the compatibility among the polar structure, ferrimagnetism, and metallicity is predicted in the n =2 superlattice.

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

Kweon, Kyoung E.; Aberg, Daniel; Lordi, Vincenzo

The atomic and electronic structures of 60° glide perfect and 30°/90° glide partial dislocations in CdTe are studied using combined semi-empirical and density functional theory calculations. The calculations predict that the dislocation cores tend to undergo significant reconstructions along the dislocation lines from the singly-periodic (SP) structures, yielding either doubly-periodic (DP) ordering by forming a dimer or quadruply-periodic (QP) ordering by alternating a dimer and a missing dimer. Charge modulation along the dislocation line, accompanied by the QP reconstruction for the Cd-/Te-core 60° perfect and 30° partials or the DP reconstruction for the Cd-core 90° partial, results in semiconducting character,more » as opposed to the metallic character of the SP dislocation cores. Dislocation-induced defect states for the 60° Cd-/Te-core are located relatively close to the band edges, whereas the defect states lie in the middle of the band gap for the 30° Cd-/Te-core partial dislocations. In addition to the intracore charge modulation within each QP core, the possibility of intercore charge transfer between two different dislocation cores when they are paired together in the same system is discussed. As a result, the analysis of the electronic structures reveals the potential role of the dislocations on charge transport in CdTe, particularly in terms of charge trapping and recombination.« less

Diagnosing collisions of magnetized, high energy density plasma flows using a combination of collective Thomson scattering, Faraday rotation, and interferometry (invited).

PubMed

Swadling, G F; Lebedev, S V; Hall, G N; Patankar, S; Stewart, N H; Smith, R A; Harvey-Thompson, A J; Burdiak, G C; de Grouchy, P; Skidmore, J; Suttle, L; Suzuki-Vidal, F; Bland, S N; Kwek, K H; Pickworth, L; Bennett, M; Hare, J D; Rozmus, W; Yuan, J

2014-11-01

A suite of laser based diagnostics is used to study interactions of magnetised, supersonic, radiatively cooled plasma flows produced using the Magpie pulse power generator (1.4 MA, 240 ns rise time). Collective optical Thomson scattering measures the time-resolved local flow velocity and temperature across 7-14 spatial positions. The scattering spectrum is recorded from multiple directions, allowing more accurate reconstruction of the flow velocity vectors. The areal electron density is measured using 2D interferometry; optimisation and analysis are discussed. The Faraday rotation diagnostic, operating at 1053 nm, measures the magnetic field distribution in the plasma. Measurements obtained simultaneously by these diagnostics are used to constrain analysis, increasing the accuracy of interpretation.

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.

New method for initial density reconstruction

NASA Astrophysics Data System (ADS)

Shi, Yanlong; Cautun, Marius; Li, Baojiu

2018-01-01

A theoretically interesting and practically important question in cosmology is the reconstruction of the initial density distribution provided a late-time density field. This is a long-standing question with a revived interest recently, especially in the context of optimally extracting the baryonic acoustic oscillation (BAO) signals from observed galaxy distributions. We present a new efficient method to carry out this reconstruction, which is based on numerical solutions to the nonlinear partial differential equation that governs the mapping between the initial Lagrangian and final Eulerian coordinates of particles in evolved density fields. This is motivated by numerical simulations of the quartic Galileon gravity model, which has similar equations that can be solved effectively by multigrid Gauss-Seidel relaxation. The method is based on mass conservation, and does not assume any specific cosmological model. Our test shows that it has a performance comparable to that of state-of-the-art algorithms that were very recently put forward in the literature, with the reconstructed density field over ˜80 % (50%) correlated with the initial condition at k ≲0.6 h /Mpc (1.0 h /Mpc ). With an example, we demonstrate that this method can significantly improve the accuracy of BAO reconstruction.

An iterative reconstruction of cosmological initial density fields

NASA Astrophysics Data System (ADS)

Hada, Ryuichiro; Eisenstein, Daniel J.

2018-05-01

We present an iterative method to reconstruct the linear-theory initial conditions from the late-time cosmological matter density field, with the intent of improving the recovery of the cosmic distance scale from the baryon acoustic oscillations (BAOs). We present tests using the dark matter density field in both real and redshift space generated from an N-body simulation. In redshift space at z = 0.5, we find that the reconstructed displacement field using our iterative method are more than 80% correlated with the true displacement field of the dark matter particles on scales k < 0.10h Mpc-1. Furthermore, we show that the two-point correlation function of our reconstructed density field matches that of the initial density field substantially better, especially on small scales (<40h-1 Mpc). Our redshift-space results are improved if we use an anisotropic smoothing so as to account for the reduced small-scale information along the line of sight in redshift space.

An original method to evaluate the transport parameters and reconstruct the electric field in solid-state photodetectors

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

Santi, A.; Piacentini, G.; Zanichelli, M.

2014-05-12

A method for reconstructing the spatial profile of the electric field along the thickness of a generic bulk solid-state photodetector is proposed. Furthermore, the mobility and lifetime of both electrons and holes can be evaluated contextually. The method is based on a procedure of minimization built up from current transient profiles induced by laser pulses in a planar detector at different applied voltages. The procedure was tested in CdTe planar detectors for X- and Gamma rays. The devices were measured in a single-carrier transport configuration by impinging laser light on the sample cathode. This method could be suitable for manymore » other devices provided that they are made of materials with sufficiently high resistivity, i.e., with a sufficiently low density of intrinsic carriers.« less

Structure of the SnO2(110 ) -(4 ×1 ) Surface

NASA Astrophysics Data System (ADS)

Merte, Lindsay R.; Jørgensen, Mathias S.; Pussi, Katariina; Gustafson, Johan; Shipilin, Mikhail; Schaefer, Andreas; Zhang, Chu; Rawle, Jonathan; Nicklin, Chris; Thornton, Geoff; Lindsay, Robert; Hammer, Bjørk; Lundgren, Edvin

2017-09-01

Using surface x-ray diffraction (SXRD), quantitative low-energy electron diffraction (LEED), and density-functional theory (DFT) calculations, we have determined the structure of the (4 ×1 ) reconstruction formed by sputtering and annealing of the SnO2(110 ) surface. We find that the reconstruction consists of an ordered arrangement of Sn3O3 clusters bound atop the bulk-terminated SnO2(110 ) surface. The model was found by application of a DFT-based evolutionary algorithm with surface compositions based on SXRD, and shows excellent agreement with LEED and with previously published scanning tunneling microscopy measurements. The model proposed previously consisting of in-plane oxygen vacancies is thus shown to be incorrect, and our result suggests instead that Sn(II) species in interstitial positions are the more relevant features of reduced SnO2(110 ) surfaces.

Ab initio density functional theory study on the atomic and electronic structure of GaP/Si(001) heterointerfaces

NASA Astrophysics Data System (ADS)

Romanyuk, O.; Supplie, O.; Susi, T.; May, M. M.; Hannappel, T.

2016-10-01

The atomic and electronic band structures of GaP/Si(001) heterointerfaces were investigated by ab initio density functional theory calculations. Relative total energies of abrupt interfaces and mixed interfaces with Si substitutional sites within a few GaP layers were derived. It was found that Si diffusion into GaP layers above the first interface layer is energetically unfavorable. An interface with Si/Ga substitution sites in the first layer above the Si substrate is energetically the most stable one in thermodynamic equilibrium. The electronic band structure of the epitaxial GaP/Si(001) heterostructure terminated by the (2 ×2 ) surface reconstruction consists of surface and interface electronic states in the common band gap of two semiconductors. The dispersion of the states is anisotropic and differs for the abrupt Si-Ga, Si-P, and mixed interfaces. Ga 2 p , P 2 p , and Si 2 p core-level binding-energy shifts were computed for the abrupt and the lowest-energy heterointerface structures. Negative and positive core-level shifts due to heterovalent bonds at the interface are predicted for the abrupt Si-Ga and Si-P interfaces, respectively. The distinct features in the heterointerface electronic structure and in the core-level shifts open new perspectives in the experimental characterization of buried polar-on-nonpolar semiconductor heterointerfaces.

Extreme mobility enhancement of two-dimensional electron gases at oxide interfaces by charge-transfer-induced modulation doping

NASA Astrophysics Data System (ADS)

Chen, Y. Z.; Trier, F.; Wijnands, T.; Green, R. J.; Gauquelin, N.; Egoavil, R.; Christensen, D. V.; Koster, G.; Huijben, M.; Bovet, N.; Macke, S.; He, F.; Sutarto, R.; Andersen, N. H.; Sulpizio, J. A.; Honig, M.; Prawiroatmodjo, G. E. D. K.; Jespersen, T. S.; Linderoth, S.; Ilani, S.; Verbeeck, J.; van Tendeloo, G.; Rijnders, G.; Sawatzky, G. A.; Pryds, N.

2015-08-01

Two-dimensional electron gases (2DEGs) formed at the interface of insulating complex oxides promise the development of all-oxide electronic devices. These 2DEGs involve many-body interactions that give rise to a variety of physical phenomena such as superconductivity, magnetism, tunable metal-insulator transitions and phase separation. Increasing the mobility of the 2DEG, however, remains a major challenge. Here, we show that the electron mobility is enhanced by more than two orders of magnitude by inserting a single-unit-cell insulating layer of polar La1-xSrxMnO3 (x = 0, 1/8, and 1/3) at the interface between disordered LaAlO3 and crystalline SrTiO3 produced at room temperature. Resonant X-ray spectroscopy and transmission electron microscopy show that the manganite layer undergoes unambiguous electronic reconstruction, leading to modulation doping of such atomically engineered complex oxide heterointerfaces. At low temperatures, the modulation-doped 2DEG exhibits Shubnikov-de Haas oscillations and fingerprints of the quantum Hall effect, demonstrating unprecedented high mobility and low electron density.

Ultrasound tomography imaging with waveform sound speed: parenchymal changes in women undergoing tamoxifen therapy

NASA Astrophysics Data System (ADS)

Sak, Mark; Duric, Neb; Littrup, Peter; Sherman, Mark; Gierach, Gretchen

2017-03-01

Ultrasound tomography (UST) is an emerging modality that can offer quantitative measurements of breast density. Recent breakthroughs in UST image reconstruction involve the use of a waveform reconstruction as opposed to a raybased reconstruction. The sound speed (SS) images that are created using the waveform reconstruction have a much higher image quality. These waveform images offer improved resolution and contrasts between regions of dense and fatty tissues. As part of a study that was designed to assess breast density changes using UST sound speed imaging among women undergoing tamoxifen therapy, UST waveform sound speed images were then reconstructed for a subset of participants. These initial results show that changes to the parenchymal tissue can more clearly be visualized when using the waveform sound speed images. Additional quantitative testing of the waveform images was also started to test the hypothesis that waveform sound speed images are a more robust measure of breast density than ray-based reconstructions. Further analysis is still needed to better understand how tamoxifen affects breast tissue.

Simultaneous two-wavelength holographic interferometry in a superorbital expansion tube facility.

PubMed

McIntyre, T J; Wegener, M J; Bishop, A I; Rubinsztein-Dunlop, H

1997-11-01

A new variation of holographic interferometry has been utilized to perform simultaneous two-wavelength measurements, allowing quantitative analysis of the heavy particle and electron densities in a superorbital facility. An air test gas accelerated to 12 km/s was passed over a cylindrical model, simulating reentry conditions encountered by a space vehicle on a superorbital mission. Laser beams with two different wavelengths have been overlapped, passed through the test section, and simultaneously recorded on a single holographic plate. Reconstruction of the hologram generated two separate interferograms at different angles from which the quantitative measurements were made. With this technique, a peak electron concentration of (5.5 +/- 0.5) x 10(23) m(-3) was found behind a bow shock on a cylinder.

Breast percent density estimation from 3D reconstructed digital breast tomosynthesis images

NASA Astrophysics Data System (ADS)

Bakic, Predrag R.; Kontos, Despina; Carton, Ann-Katherine; Maidment, Andrew D. A.

2008-03-01

Breast density is an independent factor of breast cancer risk. In mammograms breast density is quantitatively measured as percent density (PD), the percentage of dense (non-fatty) tissue. To date, clinical estimates of PD have varied significantly, in part due to the projective nature of mammography. Digital breast tomosynthesis (DBT) is a 3D imaging modality in which cross-sectional images are reconstructed from a small number of projections acquired at different x-ray tube angles. Preliminary studies suggest that DBT is superior to mammography in tissue visualization, since superimposed anatomical structures present in mammograms are filtered out. We hypothesize that DBT could also provide a more accurate breast density estimation. In this paper, we propose to estimate PD from reconstructed DBT images using a semi-automated thresholding technique. Preprocessing is performed to exclude the image background and the area of the pectoral muscle. Threshold values are selected manually from a small number of reconstructed slices; a combination of these thresholds is applied to each slice throughout the entire reconstructed DBT volume. The proposed method was validated using images of women with recently detected abnormalities or with biopsy-proven cancers; only contralateral breasts were analyzed. The Pearson correlation and kappa coefficients between the breast density estimates from DBT and the corresponding digital mammogram indicate moderate agreement between the two modalities, comparable with our previous results from 2D DBT projections. Percent density appears to be a robust measure for breast density assessment in both 2D and 3D x-ray breast imaging modalities using thresholding.

Atomic-scale structural and electronic properties of SrTiO3/GaAs interfaces: A combined STEM-EELS and first-principles study

NASA Astrophysics Data System (ADS)

Hong, Liang; Bhatnagar, Kunal; Droopad, Ravi; Klie, Robert F.; Öǧüt, Serdar

2017-07-01

The electronic properties of epitaxial oxide thin films grown on compound semiconductors are largely determined by the interfacial atomic structure, as well as the thermodynamic conditions during synthesis. Ferroelectric polarization and Fermi-level pinning in SrTiO3 films have been attributed to the presence of oxygen vacancies at the oxide/semiconductor interface. Here, we present scanning transmission electron microscopy (STEM) and electron energy-loss spectroscopy analyses of GaAs films grown on SrTiO3 combined with first-principles calculations to determine the atomic and electronic structures of the SrTiO3/GaAs interfaces. An atomically abrupt SrO/As interface is observed and the interfacial SrO layer is found to be O-deficient. First-principles density functional theory (DFT) calculations show SrO/Ga and Sr/As interfaces are favorable under O-rich and O-poor conditions, respectively. The SrO/Ga interface is reconstructed via the formation of Ga-Ga dimers while the Sr/As interface is abrupt and consistent with the experiment. DFT calculations further reveal that intrinsic two-dimensional electron gas (2DEG) forms in both SrO/Ga and Sr/As interfaces, and the Fermi level is pinned to the localized 2DEG states. Interfacial O vacancies can enhance the 2DEG density while it is possible for Ga/As vacancies to unpin the Fermi level from the 2DEG states.

Electron and photon identification in the D0 experiment

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

Abazov, V. M.; Abbott, B.; Acharya, B. S.

2014-06-01

The electron and photon reconstruction and identification algorithms used by the D0 Collaboration at the Fermilab Tevatron collider are described. The determination of the electron energy scale and resolution is presented. Studies of the performance of the electron and photon reconstruction and identification are summarized.

Effects of Acids, Bases, and Heteroatoms on Proximal Radial Distribution Functions for Proteins.

PubMed

Nguyen, Bao Linh; Pettitt, B Montgomery

2015-04-14

The proximal distribution of water around proteins is a convenient method of quantifying solvation. We consider the effect of charged and sulfur-containing amino acid side-chain atoms on the proximal radial distribution function (pRDF) of water molecules around proteins using side-chain analogs. The pRDF represents the relative probability of finding any solvent molecule at a distance from the closest or surface perpendicular protein atom. We consider the near-neighbor distribution. Previously, pRDFs were shown to be universal descriptors of the water molecules around C, N, and O atom types across hundreds of globular proteins. Using averaged pRDFs, a solvent density around any globular protein can be reconstructed with controllable relative error. Solvent reconstruction using the additional information from charged amino acid side-chain atom types from both small models and protein averages reveals the effects of surface charge distribution on solvent density and improves the reconstruction errors relative to simulation. Solvent density reconstructions from the small-molecule models are as effective and less computationally demanding than reconstructions from full macromolecular models in reproducing preferred hydration sites and solvent density fluctuations.

A density based algorithm to detect cavities and holes from planar points

NASA Astrophysics Data System (ADS)

Zhu, Jie; Sun, Yizhong; Pang, Yueyong

2017-12-01

Delaunay-based shape reconstruction algorithms are widely used in approximating the shape from planar points. However, these algorithms cannot ensure the optimality of varied reconstructed cavity boundaries and hole boundaries. This inadequate reconstruction can be primarily attributed to the lack of efficient mathematic formulation for the two structures (hole and cavity). In this paper, we develop an efficient algorithm for generating cavities and holes from planar points. The algorithm yields the final boundary based on an iterative removal of the Delaunay triangulation. Our algorithm is mainly divided into two steps, namely, rough and refined shape reconstructions. The rough shape reconstruction performed by the algorithm is controlled by a relative parameter. Based on the rough result, the refined shape reconstruction mainly aims to detect holes and pure cavities. Cavity and hole are conceptualized as a structure with a low-density region surrounded by the high-density region. With this structure, cavity and hole are characterized by a mathematic formulation called as compactness of point formed by the length variation of the edges incident to point in Delaunay triangulation. The boundaries of cavity and hole are then found by locating a shape gradient change in compactness of point set. The experimental comparison with other shape reconstruction approaches shows that the proposed algorithm is able to accurately yield the boundaries of cavity and hole with varying point set densities and distributions.

Michel electron reconstruction using cosmic-ray data from the MicroBooNE LArTPC

NASA Astrophysics Data System (ADS)

Acciarri, R.; Adams, C.; An, R.; Anthony, J.; Asaadi, J.; Auger, M.; Bagby, L.; Balasubramanian, S.; Baller, B.; Barnes, C.; Barr, G.; Bass, M.; Bay, F.; Bishai, M.; Blake, A.; Bolton, T.; Bugel, L.; Camilleri, L.; Caratelli, D.; Carls, B.; Castillo Fernandez, R.; Cavanna, F.; Chen, H.; Church, E.; Cianci, D.; Cohen, E.; Collin, G. H.; Conrad, J. M.; Convery, M.; Crespo-Anadón, J. I.; Del Tutto, M.; Devitt, D.; Dytman, S.; Eberly, B.; Ereditato, A.; Escudero Sanchez, L.; Esquivel, J.; Fleming, B. T.; Foreman, W.; Furmanski, A. P.; Garcia-Gamez, D.; Garvey, G. T.; Genty, V.; Goeldi, D.; Gollapinni, S.; Graf, N.; Gramellini, E.; Greenlee, H.; Grosso, R.; Guenette, R.; Hackenburg, A.; Hamilton, P.; Hen, O.; Hewes, J.; Hill, C.; Ho, J.; Horton-Smith, G.; Huang, E.-C.; James, C.; de Vries, J. Jan; Jen, C.-M.; Jiang, L.; Johnson, R. A.; Joshi, J.; Jostlein, H.; Kaleko, D.; Karagiorgi, G.; Ketchum, W.; Kirby, B.; Kirby, M.; Kobilarcik, T.; Kreslo, I.; Laube, A.; Li, Y.; Lister, A.; Littlejohn, B. R.; Lockwitz, S.; Lorca, D.; Louis, W. C.; Luethi, M.; Lundberg, B.; Luo, X.; Marchionni, A.; Mariani, C.; Marshall, J.; Martinez Caicedo, D. A.; Meddage, V.; Miceli, T.; Mills, G. B.; Moon, J.; Mooney, M.; Moore, C. D.; Mousseau, J.; Murrells, R.; Naples, D.; Nienaber, P.; Nowak, J.; Palamara, O.; Paolone, V.; Papavassiliou, V.; Pate, S. F.; Pavlovic, Z.; Piasetzky, E.; Porzio, D.; Pulliam, G.; Qian, X.; Raaf, J. L.; Rafique, A.; Rochester, L.; von Rohr, C. Rudolf; Russell, B.; Schmitz, D. W.; Schukraft, A.; Seligman, W.; Shaevitz, M. H.; Sinclair, J.; Snider, E. L.; Soderberg, M.; Söldner-Rembold, S.; Soleti, S. R.; Spentzouris, P.; Spitz, J.; St. John, J.; Strauss, T.; Sutton, K. A.; Szelc, A. M.; Tagg, N.; Terao, K.; Thomson, M.; Toups, M.; Tsai, Y.-T.; Tufanli, S.; Usher, T.; Van de Water, R. G.; Viren, B.; Weber, M.; Wickremasinghe, D. A.; Wolbers, S.; Wongjirad, T.; Woodruff, K.; Yang, T.; Yates, L.; Zeller, G. P.; Zennamo, J.; Zhang, C.

2017-09-01

The MicroBooNE liquid argon time projection chamber (LArTPC) has been taking data at Fermilab since 2015 collecting, in addition to neutrino beam, cosmic-ray muons. Results are presented on the reconstruction of Michel electrons produced by the decay at rest of cosmic-ray muons. Michel electrons are abundantly produced in the TPC, and given their well known energy spectrum can be used to study MicroBooNE's detector response to low-energy electrons (electrons with energies up to ~ 50 MeV). We describe the fully-automated algorithm developed to reconstruct Michel electrons, with which a sample of ~ 14,000 Michel electron candidates is obtained. Most of this article is dedicated to studying the impact of radiative photons produced by Michel electrons on the accuracy and resolution of their energy measurement. In this energy range, ionization and bremsstrahlung photon production contribute similarly to electron energy loss in argon, leading to a complex electron topology in the TPC. By profiling the performance of the reconstruction algorithm on simulation we show that the ability to identify and include energy deposited by radiative photons leads to a significant improvement in the energy measurement of low-energy electrons. The fractional energy resolution we measure improves from over 30% to ~ 20% when we attempt to include radiative photons in the reconstruction. These studies are relevant to a large number of analyses which aim to study neutrinos by measuring electrons produced by νe interactions over a broad energy range.

Michel Electron Reconstruction Using Cosmic-Ray Data from the MicroBooNE LArTPC

DOE PAGES

Acciarri, R.

2017-09-14

The MicroBooNE liquid argon time projection chamber (LArTPC) has been taking data at Fermilab since 2015 collecting, in addition to neutrino beam, cosmic-ray muons. Results are presented on the reconstruction of Michel electrons produced by the decay at rest of cosmic-ray muons. Michel electrons are abundantly produced in the TPC, and given their well known energy spectrum can be used to study MicroBooNE's detector response to low-energy electrons (electrons with energies up to ~50 MeV). We describe the fully-automated algorithm developed to reconstruct Michel electrons, with which a sample of ~14,000 Michel electron candidates is obtained. Most of this article is dedicated to studying the impact of radiative photons produced by Michel electrons on the accuracy and resolution of their energy measurement. In this energy range, ionization and bremsstrahlung photon production contribute similarly to electron energy loss in argon, leading to a complex electron topology in the TPC. By profiling the performance of the reconstruction algorithm on simulation we show that the ability to identify and include energy deposited by radiative photons leads to a significant improvement in the energy measurement of low-energy electrons. The fractional energy resolution we measure improves from over 30% to ~20% when we attempt to include radiative photons in the reconstruction. These studies are relevant to a large number of analyses which aim to study neutrinos by measuring electrons produced bymore » $$\

Simulation of Tomographic Reconstruction of Magnetosphere Plasma Distribution By Multi-spacecraft Systems.

NASA Astrophysics Data System (ADS)

Kunitsyn, V.; Nesterov, I.; Andreeva, E.; Zelenyi, L.; Veselov, M.; Galperin, Y.; Buchner, J.

A satellite radiotomography method for electron density distributions was recently proposed for closely-space multi-spacecraft group of high-altitude satellites to study the physics of reconnection process. The original idea of the ROY project is to use a constellation of spacecrafts (one main and several sub-satellites) in order to carry out closely-spaced multipoint measurements and 2D tomographic reconstruction of elec- tron density in the space between the main satellite and the subsatellites. The distances between the satellites were chosen to vary from dozens to few hundreds of kilometers. The easiest data interpretation is achieved when the subsatellites are placed along the plasma streamline. Then, whenever a plasma density irregularity moves between the main satellite and the subsatellites it will be scanned in different directions and we can get 2D distribution of plasma using these projections. However in general sub- satellites are not placed exactly along the plasma streamline. The method of plasma velocity determination relative to multi-spacecraft systems is considered. Possibilities of 3D tomographic imaging using multi-spacecraft systems are analyzed. The model- ing has shown that efficient scheme for 3D tomographic imaging would be to place spacecrafts in different planes so that the angle between the planes would make not more then ten degrees. Work is supported by INTAS PROJECT 2000-465.

Passivation effect of Cl, F and H atoms on CuIn0.75Ga0.25Se2 (1 1 2) surface

NASA Astrophysics Data System (ADS)

Qi, Rong-fei; Wang, Zhao-hui; Tang, Fu-ling; Agbonkina, Itohan C.; Xue, Hong-tao; Si, Feng-juan; Ma, Sheng-ling; Wang, Xiao-ka

2018-06-01

Using the first-principles calculations within the density functional-theory (DFT) framework, we theoretically investigated the surface reconstruction, surface states near the Fermi level and their passivation on CuIn0.75Ga0.25Se2 (1 1 2) (CIGS) surface by chlorine, fluorine and hydrogen. Surface reconstruction appears on CIG-terminated CIGS (1 1 2) surface and it is a self-passivation. For the locations of Cl, F and H atoms adsorbing on Se-terminated CIGS (1 1 2) surface, four high symmetry adsorption sites: top sites, bridge sites, hexagonal close-packed (hcp) sites and faced centered cubic (fcc) sites were studied respectively. With the coverage of 0.5 monolayer (ML), Cl, F and H adatoms energetically occupy the top sites on the CIGS (112) surface. The corresponding adsorption energies were -2.20 eV, -3.29 eV, -2.60 eV, respectively. The bond length and electronic properties were analyzed. We found that the surface state density near the Fermi level was markedly diminished for 0.5 ML Cl, F and H adsorption on Se-terminated CIGS (1 1 2) surface at top sites. It was also found that H can more efficiently passivate the surface state density than Cl and F atoms, and the effect of adsorption of Cl atoms is better than that of F.

Application of High- and Low-Orbiting Radio Tomography for Exploring the Ionospheric Structures on Different Scales

NASA Astrophysics Data System (ADS)

Andreeva, Elena; Padokhin, Artem; Nazarenko, Marina; Nesterov, Ivan; Tumanova, Yulia; Tereshchenko, Evgeniy; Kozharin, Maksim

2016-07-01

The methods of ionospheric radio tomography (RT) are actively developing at present. These methods are suitable for reconstructing the spatial distributions of electron density from radio signals transmitted from the navigational satellite systems and recorded by the networks of ground-based receivers. The RT systems based on the low-orbiting (LO) (Parus/Transit) navigational systems have been in operation since the early 1990s. Recently, the RT methods employing the signals from high-orbiting (HO) satellite navigational systems such as GPS/GLONASS have come into play. In our presentation, we discuss the accuracies, advantages, and limitations of LORT and HORT as well as the possibilities of their combined application fro reconstructing the structure of the ionosphere in the same region during the same time interval on the different spatiotemporal scales. The LORT reconstructions provide practically instantaneous (spanning 5-10 min) 2D snapshots of the ionosphere within a spatial interval with a length of up to a few thousand km. The vertical resolution of LORT is 25-30 km and the horizontal resolution, 15-25 km. The HORT methods are capable of reconstructing the 4D structure of the ionosphere (three spatial coordinates and time). The spatial resolution of HORT is generally not better than 100 km with a 60-20 min interval between the successive reconstructions. In the regions of dense receiving networks, the resolution can be improved to 30-50 km and the time step can be reduced to 30-10 min. In California and Japan which are covered by extremely dense receiving networks the resolution can be even higher (10-30 km) and the time interval between the reconstruction even shorter (up to 2 min). In the presentation, we discuss the LORT and HORT reconstructions of the ionosphere during different time periods of the 23rd and 24th solar cycles in the different regions of the world. We analyze the spatiotemporal features and dynamics of the ionosphere depending on the solar and geophysical conditions. Particular attention is attached to the periods of the strong geomagnetic disturbances. The stormy ionosphere is characterized by extremely sophisticated structure and rapid dynamics. Being affected by a variety of the perturbing factors, the ionospheric parameters experience striking variations which can be traced by the RT methods. The RT reconstructions revealed multi-extremal plasma structures, steep wall-like gradients of electron density, and spots of enhanced ionization. A complicated structure of the main ionization trough with its polar wall moving equatorwards was observed. In contrast to the middle and lower latitudes where the magnetic field largely shields the Earth from the energetic particle fluxes, the RT reconstructions in the northern high latitudes demonstrate the presence of localized highly ionized features and wavelike disturbances associated with the injections of corpuscular radiation into the ionosphere. We present and discuss the examples of the qualitative comparisons of the RT ionospheric images with the data on the ionizing particle fluxes measured by the DMSP satellite. The examples of RT data comparison with the ionosonde measurements are demonstrated.

Optical impedance spectroscopy with single-mode electro-active-integrated optical waveguides.

PubMed

Han, Xue; Mendes, Sergio B

2014-02-04

An optical impedance spectroscopy (OIS) technique based on a single-mode electro-active-integrated optical waveguide (EA-IOW) was developed to investigate electron-transfer processes of redox adsorbates. A highly sensitive single-mode EA-IOW device was used to optically follow the time-dependent faradaic current originated from a submonolayer of cytochrome c undergoing redox exchanges driven by a harmonic modulation of the electric potential at several dc bias potentials and at several frequencies. To properly retrieve the faradaic current density from the ac-modulated optical signal, we introduce here a mathematical formalism that (i) accounts for intrinsic changes that invariably occur in the optical baseline of the EA-IOW device during potential modulation and (ii) provides accurate results for the electro-chemical parameters. We are able to optically reconstruct the faradaic current density profile against the dc bias potential in the working electrode, identify the formal potential, and determine the energy-width of the electron-transfer process. In addition, by combining the optically reconstructed faradaic signal with simple electrical measurements of impedance across the whole electrochemical cell and the capacitance of the electric double-layer, we are able to determine the time-constant connected to the redox reaction of the adsorbed protein assembly. For cytochrome c directly immobilized onto the indium tin oxide (ITO) surface, we measured a reaction rate constant of 26.5 s(-1). Finally, we calculate the charge-transfer resistance and pseudocapacitance associated with the electron-transfer process and show that the frequency dependence of the redox reaction of the protein submonolayer follows as expected the electrical equivalent of an RC-series admittance diagram. Above all, we show here that OIS with single-mode EA-IOW's provide strong analytical signals that can be readily monitored even for small surface-densities of species involved in the redox process (e.g., fmol/cm(2), 0.1% of a full protein monolayer). This experimental approach, when combined with the analytical formalism described here, brings additional sensitivity, accuracy, and simplicity to electro-chemical analysis and is expected to become a useful tool in investigations of redox processes.

Phillips-Tikhonov regularization with a priori information for neutron emission tomographic reconstruction on Joint European Torus

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

Bielecki, J.; Scholz, M.; Drozdowicz, K.

A method of tomographic reconstruction of the neutron emissivity in the poloidal cross section of the Joint European Torus (JET, Culham, UK) tokamak was developed. Due to very limited data set (two projection angles, 19 lines of sight only) provided by the neutron emission profile monitor (KN3 neutron camera), the reconstruction is an ill-posed inverse problem. The aim of this work consists in making a contribution to the development of reliable plasma tomography reconstruction methods that could be routinely used at JET tokamak. The proposed method is based on Phillips-Tikhonov regularization and incorporates a priori knowledge of the shape ofmore » normalized neutron emissivity profile. For the purpose of the optimal selection of the regularization parameters, the shape of normalized neutron emissivity profile is approximated by the shape of normalized electron density profile measured by LIDAR or high resolution Thomson scattering JET diagnostics. In contrast with some previously developed methods of ill-posed plasma tomography reconstruction problem, the developed algorithms do not include any post-processing of the obtained solution and the physical constrains on the solution are imposed during the regularization process. The accuracy of the method is at first evaluated by several tests with synthetic data based on various plasma neutron emissivity models (phantoms). Then, the method is applied to the neutron emissivity reconstruction for JET D plasma discharge #85100. It is demonstrated that this method shows good performance and reliability and it can be routinely used for plasma neutron emissivity reconstruction on JET.« less

Mixing of MnPc electronic states at the MnPc/Au(110) interface

NASA Astrophysics Data System (ADS)

Gargiani, Pierluigi; Lisi, Simone; Avvisati, Giulia; Mondelli, Pierluigi; Fatale, Sara; Betti, Maria Grazia

2017-10-01

Manganese-phthalocyanines form assembled chains with a variety of ordered super-structures, flat lying along the Au(110) reconstructed channels. The chains first give rise to a ×5 symmetry reconstruction, while further deposition of MnPc leads to a ×7 periodicity at the completion of the first single layer. A net polarization with the formation of an interface dipole is mainly due to the molecular π-states located on the macrocycles pyrrole rings, while the central metal ion induces a reduction in the polarization, whose amount is related to the Mn-Au interaction. The adsorption-induced interface polarization is compared to other 3d-metal phthalocyanines, to unravel the role of the central metal atom configuration in the interaction process of the d-states. The MnPc adsorption on Au(110) induces the re-hybridization of the electronic states localized on the central metal atom, promoting a charge redistribution of the molecular orbitals of the MnPc molecules. The molecule-substrate interaction is controlled by a symmetry-determined mixing between the electronic states, involving also the molecular empty orbitals with d character hybridized with the nitrogen atoms of the pyrrole ring, as deduced by photoemission and X-ray absorption spectroscopy exploiting light polarization. The symmetry-determined mixing between the electronic states of the Mn metal center and of the Au substrate induces a density of states close to the Fermi level for the ×5 phase.

The Influence of Reconstruction Kernel on Bone Mineral and Strength Estimates Using Quantitative Computed Tomography and Finite Element Analysis.

PubMed

Michalski, Andrew S; Edwards, W Brent; Boyd, Steven K

2017-10-17

Quantitative computed tomography has been posed as an alternative imaging modality to investigate osteoporosis. We examined the influence of computed tomography convolution back-projection reconstruction kernels on the analysis of bone quantity and estimated mechanical properties in the proximal femur. Eighteen computed tomography scans of the proximal femur were reconstructed using both a standard smoothing reconstruction kernel and a bone-sharpening reconstruction kernel. Following phantom-based density calibration, we calculated typical bone quantity outcomes of integral volumetric bone mineral density, bone volume, and bone mineral content. Additionally, we performed finite element analysis in a standard sideways fall on the hip loading configuration. Significant differences for all outcome measures, except integral bone volume, were observed between the 2 reconstruction kernels. Volumetric bone mineral density measured using images reconstructed by the standard kernel was significantly lower (6.7%, p < 0.001) when compared with images reconstructed using the bone-sharpening kernel. Furthermore, the whole-bone stiffness and the failure load measured in images reconstructed by the standard kernel were significantly lower (16.5%, p < 0.001, and 18.2%, p < 0.001, respectively) when compared with the image reconstructed by the bone-sharpening kernel. These data suggest that for future quantitative computed tomography studies, a standardized reconstruction kernel will maximize reproducibility, independent of the use of a quantitative calibration phantom. Copyright © 2017 The International Society for Clinical Densitometry. Published by Elsevier Inc. All rights reserved.

Event reconstruction for the CBM-RICH prototype beamtest data in 2014

NASA Astrophysics Data System (ADS)

Adamczewski-Musch, J.; Akishin, P.; Becker, K.-H.; Belogurov, S.; Bendarouach, J.; Boldyreva, N.; Deveaux, C.; Dobyrn, V.; Dürr, M.; Eschke, J.; Förtsch, J.; Heep, J.; Höhne, C.; Kampert, K.-H.; Kochenda, L.; Kopfer, J.; Kravtsov, P.; Kres, I.; Lebedev, S.; Lebedeva, E.; Leonova, E.; Linev, S.; Mahmoud, T.; Michel, J.; Miftakhov, N.; Niebur, W.; Ovcharenko, E.; Patel, V.; Pauly, C.; Pfeifer, D.; Querchfeld, S.; Rautenberg, J.; Reinecke, S.; Riabov, Y.; Roshchin, E.; Samsonov, V.; Schetinin, V.; Tarasenkova, O.; Traxler, M.; Ugur, C.; Vznuzdaev, E.; Vznuzdaev, M.

2017-12-01

The Compressed Baryonic Matter (CBM) experiment at the future FAIR facility will investigate the QCD phase diagram at high net baryon densities and moderate temperatures in A+A collisions from 2 to 11 AGeV (SIS100). Electron identification in CBM will be performed by a Ring Imaging Cherenkov (RICH) detector and Transition Radiation Detectors (TRD). A real size prototype of the RICH detector was tested together with other CBM groups at the CERN PS/T9 beam line in 2014. For the first time the data format used the FLESnet protocol from CBM delivering free streaming data. The analysis was fully performed within the CBMROOT framework. In this contribution the data analysis and the event reconstruction methods which were used for obtained data are discussed. Rings were reconstructed using an algorithm based on the Hough Transform method and their parameters were derived with high accuracy by circle and ellipse fitting procedures. We present results of the application of the presented algorithms. In particular we compare results with and without Wavelength shifting (WLS) coating.

Fast and low-dose computed laminography using compressive sensing based technique

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

Abbas, Sajid, E-mail: scho@kaist.ac.kr; Park, Miran, E-mail: scho@kaist.ac.kr; Cho, Seungryong, E-mail: scho@kaist.ac.kr

2015-03-31

Computed laminography (CL) is well known for inspecting microstructures in the materials, weldments and soldering defects in high density packed components or multilayer printed circuit boards. The overload problem on x-ray tube and gross failure of the radio-sensitive electronics devices during a scan are among important issues in CL which needs to be addressed. The sparse-view CL can be one of the viable option to overcome such issues. In this work a numerical aluminum welding phantom was simulated to collect sparsely sampled projection data at only 40 views using a conventional CL scanning scheme i.e. oblique scan. A compressive-sensing inspiredmore » total-variation (TV) minimization algorithm was utilized to reconstruct the images. It is found that the images reconstructed using sparse view data are visually comparable with the images reconstructed using full scan data set i.e. at 360 views on regular interval. We have quantitatively confirmed that tiny structures such as copper and tungsten slags, and copper flakes in the reconstructed images from sparsely sampled data are comparable with the corresponding structure present in the fully sampled data case. A blurring effect can be seen near the edges of few pores at the bottom of the reconstructed images from sparsely sampled data, despite the overall image quality is reasonable for fast and low-dose NDT.« less

Heptagraphene: Tunable dirac cones in a graphitic structure

DOE PAGES

Lopez-Bezanilla, Alejandro; Martin, Ivar; Littlewood, Peter B.

2016-09-13

Here, we predict the existence and dynamical stability of heptagraphene, a new graphitic structure formed of rings of 10 carbon atoms bridged by carbene groups yielding seven-membered rings. Despite the rectangular unit cell, the band structure is topologically equivalent to that of strongly distorted graphene. Density-functional-theory calculations demonstrate that heptagraphene has Dirac cones on symmetry lines that are robust against biaxial strain but which open a gap under shear. At high deformation values bond reconstructions lead to different electronic band arrangements in dynamically stable configurations. Within a tight-binding framework this richness of the electronic behavior is identified as a directmore » consequence of the symmetry breaking within the cell which, unlike other graphitic structures, leads to band gap opening. A combined approach of chemical and physical modification of graphene unit cell unfurls the opportunity to design carbon-based systems in which one aims to tune an electronic band gap.« less

Deformation microstructures of Barre granite: An optical, Sem and Tem study

USGS Publications Warehouse

Schedl, A.; Kronenberg, A.K.; Tullis, J.

1986-01-01

New scanning electron microscope techniques have been developed for characterizing ductile deformation microstructures in felsic rocks. In addition, the thermomechanical history of the macroscopically undeformed Barre granite (Vermont, U.S.A.) has been reconstructed based on examination of deformation microstructures using optical microscopy, scanning electron microscopy, and transmission electron microscopy. The microstructures reveal three distinct events: 1. (1) a low-stress, high-temperature event that produced subgrains in feldspars, and subgrains and recrystallized grains in quartz; 2. (2) a high-stress, low-temperature event that produced a high dislocation density in quartz and feldspars; and 3. (3) a lowest-temperature event that produced cracks, oriented primarily along cleavage planes in feldspars, and parallel to the macroscopic rift in quartz. The first two events are believed to reflect various stages in the intrusion and cooling history of the pluton, and the last may be related to the last stages of cooling, or to later tectonism. ?? 1986.

Microwave Imaging in Large Helical Device

NASA Astrophysics Data System (ADS)

Yoshinaga, T.; Nagayama, Y.; Tsuchiya, H.; Kuwahara, D.; Tsuji-Iio, S.; Akaki, K.; Mase, A.; Kogi, Y.; Yamaguchi, S.; Shi, Z. B.; Hojo, H.

2011-02-01

Microwave imaging reflectometry (MIR) system and electron cyclotron emission imaging (ECEI) system are under development for the simultaneous reconstruction of the electron density and temperature fluctuation structures in the Large Helical Device (LHD). The MIR observes three-dimensional structure of disturbed cutoff surfaces by using the two-dimensionally distributed horn-antenna mixer array (HMA) of 5 × 7 channels in combination with the simultaneous projection of microwaves with four different frequency components (60.410, 61.808, 63.008 and 64.610 GHz). The ECEI is designed to observe two-dimensional structure of electron temperature by detecting second-harmonic ECE at 97-107 GHz with the one-dimensional HMA (7 channels) in the common optics with MIR system. Both the MIR and the ECEI are realized by the HMA and the band-pass filter (BPF) arrays, which are fabricated by micro-strip-line technique at low-cost.

Chemical Gating of a Weak Topological Insulator: Bi14Rh3I9.

PubMed

Ghimire, Madhav Prasad; Richter, Manuel

2017-10-11

The compound Bi 14 Rh 3 I 9 has recently been suggested as a weak three-dimensional topological insulator on the basis of angle-resolved photoemission and scanning-tunneling experiments in combination with density functional (DF) electronic structure calculations. These methods unanimously support the topological character of the headline compound, but a compelling confirmation could only be obtained by dedicated transport experiments. The latter, however, are biased by an intrinsic n-doping of the material's surface due to its polarity. Electronic reconstruction of the polar surface shifts the topological gap below the Fermi energy, which would also prevent any future device application. Here, we report the results of DF slab calculations for chemically gated and counter-doped surfaces of Bi 14 Rh 3 I 9 . We demonstrate that both methods can be used to compensate the surface polarity without closing the electronic gap.

Three-dimensional forward solver and its performance analysis for magnetic resonance electrical impedance tomography (MREIT) using recessed electrodes.

PubMed

Lee, Byung Il; Oh, Suk Hoon; Woo, Eung Je; Lee, Soo Yeol; Cho, Min Hyoung; Kwon, Ohin; Seo, Jin Keun; Lee, June-Yub; Baek, Woon Sik

2003-07-07

In magnetic resonance electrical impedance tomography (MREIT), we try to reconstruct a cross-sectional resistivity (or conductivity) image of a subject. When we inject a current through surface electrodes, it generates a magnetic field. Using a magnetic resonance imaging (MRI) scanner, we can obtain the induced magnetic flux density from MR phase images of the subject. We use recessed electrodes to avoid undesirable artefacts near electrodes in measuring magnetic flux densities. An MREIT image reconstruction algorithm produces cross-sectional resistivity images utilizing the measured internal magnetic flux density in addition to boundary voltage data. In order to develop such an image reconstruction algorithm, we need a three-dimensional forward solver. Given injection currents as boundary conditions, the forward solver described in this paper computes voltage and current density distributions using the finite element method (FEM). Then, it calculates the magnetic flux density within the subject using the Biot-Savart law and FEM. The performance of the forward solver is analysed and found to be enough for use in MREIT for resistivity image reconstructions and also experimental designs and validations. The forward solver may find other applications where one needs to compute voltage, current density and magnetic flux density distributions all within a volume conductor.

A Survey of the Use of Iterative Reconstruction Algorithms in Electron Microscopy

PubMed Central

Otón, J.; Vilas, J. L.; Kazemi, M.; Melero, R.; del Caño, L.; Cuenca, J.; Conesa, P.; Gómez-Blanco, J.; Marabini, R.; Carazo, J. M.

2017-01-01

One of the key steps in Electron Microscopy is the tomographic reconstruction of a three-dimensional (3D) map of the specimen being studied from a set of two-dimensional (2D) projections acquired at the microscope. This tomographic reconstruction may be performed with different reconstruction algorithms that can be grouped into several large families: direct Fourier inversion methods, back-projection methods, Radon methods, or iterative algorithms. In this review, we focus on the latter family of algorithms, explaining the mathematical rationale behind the different algorithms in this family as they have been introduced in the field of Electron Microscopy. We cover their use in Single Particle Analysis (SPA) as well as in Electron Tomography (ET). PMID:29312997

Surface effects on mean inner potentials studied using density functional theory.

PubMed

Pennington, Robert S; Boothroyd, Chris B; Dunin-Borkowski, Rafal E

2015-12-01

Quantitative materials characterization using electron holography frequently requires knowledge of the mean inner potential, but reported experimental mean inner potential measurements can vary widely. Using density functional theory, we have simulated the mean inner potential for materials with a range of different surface conditions and geometries. We use both "thin-film" and "nanowire" specimen geometries. We consider clean bulk-terminated surfaces with different facets and surface reconstructions using atom positions from both structural optimization and experimental data and we also consider surfaces both with and without adsorbates. We find that the mean inner potential is surface-dependent, with the strongest dependency on surface adsorbates. We discuss the outlook and perspective for future mean inner potential measurements. Copyright © 2015 Elsevier B.V. All rights reserved.

Diagnosing collisions of magnetized, high energy density plasma flows using a combination of collective Thomson scattering, Faraday rotation, and interferometry (invited)

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

Swadling, G. F., E-mail: swadling@imperial.ac.uk; Lebedev, S. V.; Hall, G. N.

2014-11-15

A suite of laser based diagnostics is used to study interactions of magnetised, supersonic, radiatively cooled plasma flows produced using the Magpie pulse power generator (1.4 MA, 240 ns rise time). Collective optical Thomson scattering measures the time-resolved local flow velocity and temperature across 7–14 spatial positions. The scattering spectrum is recorded from multiple directions, allowing more accurate reconstruction of the flow velocity vectors. The areal electron density is measured using 2D interferometry; optimisation and analysis are discussed. The Faraday rotation diagnostic, operating at 1053 nm, measures the magnetic field distribution in the plasma. Measurements obtained simultaneously by these diagnosticsmore » are used to constrain analysis, increasing the accuracy of interpretation.« less

Modeling the Nab Experiment Electronics in SPICE

NASA Astrophysics Data System (ADS)

Blose, Alexander; Crawford, Christopher; Sprow, Aaron; Nab Collaboration

2017-09-01

The goal of the Nab experiment is to measure the neutron decay coefficients a, the electron-neutrino correlation, as well as b, the Fierz interference term to precisely test the Standard Model, as well as probe for Beyond the Standard Model physics. In this experiment, protons from the beta decay of the neutron are guided through a magnetic field into a Silicon detector. Event reconstruction will be achieved via time-of-flight measurement for the proton and direct measurement of the coincident electron energy in highly segmented silicon detectors, so the amplification circuitry needs to preserve fast timing, provide good amplitude resolution, and be packaged in a high-density format. We have designed a SPICE simulation to model the full electronics chain for the Nab experiment in order to understand the contributions of each stage and optimize them for performance. Additionally, analytic solutions to each of the components have been determined where available. We will present a comparison of the output from the SPICE model, analytic solution, and empirically determined data.

Phenomenological view at the two-component physics of cuprates

NASA Astrophysics Data System (ADS)

Teitel'baum, G. B.

2017-08-01

In the search for mechanisms of high- T c superconductivity it is critical to know the electronic spectrum in the pseudogap phase from which superconductivity evolves. The lack of ARPES data for every cuprate family precludes an agreement as to its structure, doping and temperature dependence and the role of charge ordering. No approach has been developed yet to address the issue theoretically, and we limit ourselves by the phenomenological analysis of the experimental data. We argue that, in the Fermi-liquid-like regime ubiquitous in underdoped cuprates, the spectrum consists of holes on the Fermi arcs and an electronic pocket in contrast to the idea of the Fermi surface reconstruction via charge ordering. At high temperatures, the electrons are dragged by holes while at lower temperatures they get decoupled. The longstanding issue of the origin of the negative Hall coefficient in YBCO and Hg1201 at low temperature is resolved: the electronic contribution prevails, as its mobility becomes temperature independent, while the mobility of holes, scattered by the shortwavelength charge density waves, decreases.

Realizing Large-Scale, Electronic-Grade Two-Dimensional Semiconductors.

PubMed

Lin, Yu-Chuan; Jariwala, Bhakti; Bersch, Brian M; Xu, Ke; Nie, Yifan; Wang, Baoming; Eichfeld, Sarah M; Zhang, Xiaotian; Choudhury, Tanushree H; Pan, Yi; Addou, Rafik; Smyth, Christopher M; Li, Jun; Zhang, Kehao; Haque, M Aman; Fölsch, Stefan; Feenstra, Randall M; Wallace, Robert M; Cho, Kyeongjae; Fullerton-Shirey, Susan K; Redwing, Joan M; Robinson, Joshua A

2018-02-27

Atomically thin transition metal dichalcogenides (TMDs) are of interest for next-generation electronics and optoelectronics. Here, we demonstrate device-ready synthetic tungsten diselenide (WSe 2 ) via metal-organic chemical vapor deposition and provide key insights into the phenomena that control the properties of large-area, epitaxial TMDs. When epitaxy is achieved, the sapphire surface reconstructs, leading to strong 2D/3D (i.e., TMD/substrate) interactions that impact carrier transport. Furthermore, we demonstrate that substrate step edges are a major source of carrier doping and scattering. Even with 2D/3D coupling, transistors utilizing transfer-free epitaxial WSe 2 /sapphire exhibit ambipolar behavior with excellent on/off ratios (∼10 7 ), high current density (1-10 μA·μm -1 ), and good field-effect transistor mobility (∼30 cm 2 ·V -1 ·s -1 ) at room temperature. This work establishes that realization of electronic-grade epitaxial TMDs must consider the impact of the TMD precursors, substrate, and the 2D/3D interface as leading factors in electronic performance.

Structural, electronic and magnetic properties of carbon doped boron nitride nanowire: Ab initio study

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

Jalilian, Jaafar, E-mail: JaafarJalilian@gmail.com; Kanjouri, Faramarz, E-mail: kanjouri@khu.ac.ir

2016-11-15

Using spin-polarized density functional theory calculations, we demonstrated that carbon doped boron nitride nanowire (C-doped BNNW) has diverse electronic and magnetic properties depending on position of carbon atoms and their percentages. Our results show that only when one carbon atom is situated on the edge of the nanowire, C-doped BNNW is transformed into half-metal. The calculated electronic structure of the C-doped BNNW suggests that doping carbon can induce localized edge states around the Fermi level, and the interaction among localized edge states leads to semiconductor to half-metal transition. Overall, the bond reconstruction causes of appearance of different electronic behavior suchmore » as semiconducting, half-metallicity, nonmagnetic metallic, and ferromagnetic metallic characters. The formation energy of the system shows that when a C atom is doped on surface boron site, system is more stable than the other positions of carbon impurity. Our calculations show that C-doped BNNW may offer unique opportunities for developing nanoscale spintronic materials.« less

Tomographic capabilities of the new GEM based SXR diagnostic of WEST

NASA Astrophysics Data System (ADS)

Jardin, A.; Mazon, D.; O'Mullane, M.; Mlynar, J.; Loffelmann, V.; Imrisek, M.; Chernyshova, M.; Czarski, T.; Kasprowicz, G.; Wojenski, A.; Bourdelle, C.; Malard, P.

2016-07-01

The tokamak WEST (Tungsten Environment in Steady-State Tokamak) will start operating by the end of 2016 as a test bed for the ITER divertor components in long pulse operation. In this context, radiative cooling of heavy impurities like tungsten (W) in the Soft X-ray (SXR) range [0.1 keV; 20 keV] is a critical issue for the plasma core performances. Thus reliable tools are required to monitor the local impurity density and avoid W accumulation. The WEST SXR diagnostic will be equipped with two new GEM (Gas Electron Multiplier) based poloidal cameras allowing to perform 2D tomographic reconstructions in tunable energy bands. In this paper tomographic capabilities of the Minimum Fisher Information (MFI) algorithm developed for Tore Supra and upgraded for WEST are investigated, in particular through a set of emissivity phantoms and the standard WEST scenario including reconstruction errors, influence of noise as well as computational time.

Interface reconstruction with emerging charge ordering in hexagonal manganite

PubMed Central

Xu, Changsong; Han, Myung-Geun; Bao, Shanyong; Nan, Cewen; Bellaiche, Laurent

2018-01-01

Multiferroic materials, which simultaneously have multiple orderings, hold promise for use in the next generation of memory devices. We report a novel self-assembled MnO double layer forming at the interface between a multiferroic YMnO3 film and a c-Al2O3 substrate. The crystal structures and the valence states of this MnO double layer were studied by atomically resolved scanning transmission electron microscopy and spectroscopy, as well as density functional theory (DFT) calculations. A new type of charge ordering has been identified within this MnO layer, which also contributes to a polarization along the [001] direction. DFT calculations further establish the occurrence of multiple couplings between charge and lattice in this novel double layer, in addition to the polarization in nearby YMnO3 single layer. The interface reconstruction reported here creates a new playground for emergent physics, such as giant ferroelectricity and strong magnetoelectric coupling, in manganite systems. PMID:29795782

Paleoseawater density reconstruction and its implication for cold-water coral carbonate mounds in the northeast Atlantic through time

NASA Astrophysics Data System (ADS)

Rüggeberg, Andres; Flögel, Sascha; Dullo, Wolf-Christian; Raddatz, Jacek; Liebetrau, Volker

2016-03-01

Carbonate buildups and mounds are impressive biogenic structures throughout Earth history. In the recent NE Atlantic, cold-water coral (CWC) reefs form giant carbonate mounds of up to 300 m of elevation. The expansion of these coral carbonate mounds is paced by climatic changes during the past 2.7 Myr. Environmental control on their development is directly linked to controls on its main constructors, the reef-building CWCs. Seawater density has been identified as one of the main controlling parameter of CWC growth in the NE Atlantic. One possibility is the formation of a pycnocline above the carbonate mounds, which is increasing the hydrodynamic regime, supporting elevated food supply, and possibly facilitating the distribution of coral larvae. The potential to reconstruct past seawater densities from stable oxygen isotopes of benthic foraminifera has been further developed: a regional equation gives reliable results for three different settings, peak interglacials (e.g., Holocene), peak glacials (e.g., Last Glacial Maximum), and intermediate setting (between the two extremes). Seawater densities are reconstructed for two different NE Atlantic CWC carbonate mounds in the Porcupine Seabight indicating that the development of carbonate mounds is predominantly found at a seawater density range between 27.3 and 27.7 kg m-3 (σΘ notation). Comparable to recent conditions, we interpret the reconstructed density range as a pycnocline serving as boundary layer, on which currents develop, carrying nutrition and possibly coral larvae. The close correlation of CWC reef growth with reconstructed seawater densities through the Pleistocene highlights the importance of pycnoclines and intermediate water mass dynamics.

DFT+DMFT study of strain and interface effects in d1 and d2 t2 g-perovskites

NASA Astrophysics Data System (ADS)

Sclauzero, Gabriele; Dymkowski, Krzysztof; Ederer, Claude

2015-03-01

Metal-insulator transitions in thin films of early-transition metal correlated oxides are linked to both epitaxial strain and electronic reconstruction at the film/substrate interface. We separately address these two key factors for LaTiO3 and LaVO3 through density functional theory plus dynamical mean-field theory (DFT+DMFT). We find that mere epitaxial strain suffices to induce an insulator-to-metal transition in LaTiO3, but not in LaVO3, in agreement with recent experiments. We show that this difference can be explained by the combined effect of strain-induced changes in the crystal field splitting of t2 g orbitals and different orbital filling in these two materials. The role of the interface is investigated through DFT+DMFT simulations of LaVO3/SrTiO3 heterostructures with varying superlattice periodicities and substrate terminations. Our aim is to assess whether the metallicity observed at the LaVO3/SrTiO3 interface could be driven by pure electronic reconstruction effects, rather than structural or stoichiometric reasons (such as, e.g., O-related defects).

Reconstruction of internal density distributions in porous bodies from laser ultrasonic data

NASA Technical Reports Server (NTRS)

Lu, Yichi; Goldman, Jeffrey A.; Wadley, Haydn N. G.

1992-01-01

It is presently shown that, for density-reconstruction problems in which information about the inhomogeneity is known a priori, the nonlinear least-squares algorithm yields satisfactory results on the basis of limited projection data. The back-projection algorithm, which obviates assumptions about the objective function to be reconstructed, does not recover the boundary of the inhomogeneity when the number of projections is limited and ray-bending is ignored.

Accuracy of lung nodule density on HRCT: analysis by PSF-based image simulation.

PubMed

Ohno, Ken; Ohkubo, Masaki; Marasinghe, Janaka C; Murao, Kohei; Matsumoto, Toru; Wada, Shinichi

2012-11-08

A computed tomography (CT) image simulation technique based on the point spread function (PSF) was applied to analyze the accuracy of CT-based clinical evaluations of lung nodule density. The PSF of the CT system was measured and used to perform the lung nodule image simulation. Then, the simulated image was resampled at intervals equal to the pixel size and the slice interval found in clinical high-resolution CT (HRCT) images. On those images, the nodule density was measured by placing a region of interest (ROI) commonly used for routine clinical practice, and comparing the measured value with the true value (a known density of object function used in the image simulation). It was quantitatively determined that the measured nodule density depended on the nodule diameter and the image reconstruction parameters (kernel and slice thickness). In addition, the measured density fluctuated, depending on the offset between the nodule center and the image voxel center. This fluctuation was reduced by decreasing the slice interval (i.e., with the use of overlapping reconstruction), leading to a stable density evaluation. Our proposed method of PSF-based image simulation accompanied with resampling enables a quantitative analysis of the accuracy of CT-based evaluations of lung nodule density. These results could potentially reveal clinical misreadings in diagnosis, and lead to more accurate and precise density evaluations. They would also be of value for determining the optimum scan and reconstruction parameters, such as image reconstruction kernels and slice thicknesses/intervals.

SSULI/SSUSI UV Tomographic Images of Large-Scale Plasma Structuring

NASA Astrophysics Data System (ADS)

Hei, M. A.; Budzien, S. A.; Dymond, K.; Paxton, L. J.; Schaefer, R. K.; Groves, K. M.

2015-12-01

We present a new technique that creates tomographic reconstructions of atmospheric ultraviolet emission based on data from the Special Sensor Ultraviolet Limb Imager (SSULI) and the Special Sensor Ultraviolet Spectrographic Imager (SSUSI), both flown on the Defense Meteorological Satellite Program (DMSP) Block 5D3 series satellites. Until now, the data from these two instruments have been used independently of each other. The new algorithm combines SSULI/SSUSI measurements of 135.6 nm emission using the tomographic technique; the resultant data product - whole-orbit reconstructions of atmospheric volume emission within the satellite orbital plane - is substantially improved over the original data sets. Tests using simulated atmospheric emission verify that the algorithm performs well in a variety of situations, including daytime, nighttime, and even in the challenging terminator regions. A comparison with ALTAIR radar data validates that the volume emission reconstructions can be inverted to yield maps of electron density. The algorithm incorporates several innovative new features, including the use of both SSULI and SSUSI data to create tomographic reconstructions, the use of an inversion algorithm (Richardson-Lucy; RL) that explicitly accounts for the Poisson statistics inherent in optical measurements, and a pseudo-diffusion based regularization scheme implemented between iterations of the RL code. The algorithm also explicitly accounts for extinction due to absorption by molecular oxygen.

Electronic reconstruction of doped Mott insulator heterojunctions

NASA Astrophysics Data System (ADS)

Charlebois, M.; Hassan, S. R.; Karan, R.; Dion, M.; Senechal, D.; Tremblay, A.-M. S.

2012-02-01

Correlated electron heterostructures became a possible alternative when thin-film deposition techniques achieved structures with a sharp interface transition [1]. Soon thereafter, Okamoto & Millis introduced the concept of ``electronic reconstruction'' [2]. We study here the electronic reconstruction of doped Mott insulator heterostructures based on a Cluster Dynamical Mean Field Theory (CDMFT) calculations of the Hubbard model in the limit where electrostatic energy dominates over the kinetic energy associated with transport across layers. The grand potential of individual layers is first computed within CDMFT and then the electrostatic potential energy is taken into account in the Hartree approximation. The charge reconstruction in an ensemble of stacked planes of different nature can lead to a distribution of electron charge and to transport properties that are unique to doped-Mott insulators.[4pt] [1] J. Mannhart, D. G. Schlom, Science 327, 1607 (2010).[0pt] [2] S. Okamoto and A. J. Millis, Nature 428, 630 (2004).

Effects of Acids, Bases, and Heteroatoms on Proximal Radial Distribution Functions for Proteins

PubMed Central

Nguyen, Bao Linh; Pettitt, B. Montgomery

2015-01-01

The proximal distribution of water around proteins is a convenient method of quantifying solvation. We consider the effect of charged and sulfur-containing amino acid side-chain atoms on the proximal radial distribution function (pRDF) of water molecules around proteins using side-chain analogs. The pRDF represents the relative probability of finding any solvent molecule at a distance from the closest or surface perpendicular protein atom. We consider the near-neighbor distribution. Previously, pRDFs were shown to be universal descriptors of the water molecules around C, N, and O atom types across hundreds of globular proteins. Using averaged pRDFs, a solvent density around any globular protein can be reconstructed with controllable relative error. Solvent reconstruction using the additional information from charged amino acid side-chain atom types from both small models and protein averages reveals the effects of surface charge distribution on solvent density and improves the reconstruction errors relative to simulation. Solvent density reconstructions from the small-molecule models are as effective and less computationally demanding than reconstructions from full macromolecular models in reproducing preferred hydration sites and solvent density fluctuations. PMID:26388706

Electron efficiency measurements with the ATLAS detector using 2012 LHC proton–proton collision data

DOE PAGES

Aaboud, M.; Aad, G.; Abbott, B.; ...

2017-03-27

This paper describes the algorithms for the reconstruction and identification of electrons in the central region of the ATLAS detector at the Large Hadron Collider (LHC). These algorithms were used for all ATLAS results with electrons in the final state that are based on the 2012 pp collision data produced by the LHC at s = 8 TeV. The efficiency of these algorithms, together with the charge misidentification rate, is measured in data and evaluated in simulated samples using electrons from Z→ ee, Z→ eeγ and J/ ψ→ ee decays. For these efficiency measurements, the full recorded data set, corresponding tomore » an integrated luminosity of 20.3 fb - 1 , is used. Based on a new reconstruction algorithm used in 2012, the electron reconstruction efficiency is 97% for electrons with E T = 15 GeV and 99% at E T = 50 GeV. Combining this with the efficiency of additional selection criteria to reject electrons from background processes or misidentified hadrons, the efficiency to reconstruct and identify electrons at the ATLAS experiment varies from 65 to 95%, depending on the transverse momentum of the electron and background rejection.« less

Electron efficiency measurements with the ATLAS detector using 2012 LHC proton-proton collision data.

PubMed

Aaboud, M; Aad, G; Abbott, B; Abdallah, J; Abdinov, O; Abeloos, B; AbouZeid, O S; Abraham, N L; Abramowicz, H; Abreu, H; Abreu, R; Abulaiti, Y; Acharya, B S; Adachi, S; Adamczyk, L; Adams, D L; Adelman, J; Adomeit, S; Adye, T; Affolder, A A; Agatonovic-Jovin, T; Aguilar-Saavedra, J A; Ahlen, S P; Ahmadov, F; Aielli, G; Akerstedt, H; Åkesson, T P A; Akimov, A V; Alberghi, G L; Albert, J; Albrand, S; Alconada Verzini, M J; Aleksa, M; Aleksandrov, I N; Alexa, C; Alexander, G; Alexopoulos, T; Alhroob, M; Ali, B; Aliev, M; Alimonti, G; Alison, J; Alkire, S P; Allbrooke, B M M; Allen, B W; Allport, P P; Aloisio, A; Alonso, A; Alonso, F; Alpigiani, C; Alshehri, A A; Alstaty, M; Alvarez Gonzalez, B; Álvarez Piqueras, D; Alviggi, M G; Amadio, B T; Amaral Coutinho, Y; Amelung, C; Amidei, D; Amor Dos Santos, S P; Amorim, A; Amoroso, S; Amundsen, G; Anastopoulos, C; Ancu, L S; Andari, N; Andeen, T; Anders, C F; Anders, J K; Anderson, K J; Andreazza, A; Andrei, V; Angelidakis, S; Angelozzi, I; Angerami, A; Anghinolfi, F; Anisenkov, A V; Anjos, N; Annovi, A; Antel, C; Antonelli, M; Antonov, A; Antrim, D J; Anulli, F; Aoki, M; Aperio Bella, L; Arabidze, G; Arai, Y; Araque, J P; Arce, A T H; Arduh, F A; Arguin, J-F; Argyropoulos, S; Arik, M; Armbruster, A J; Armitage, L J; Arnaez, O; Arnold, H; Arratia, M; Arslan, O; Artamonov, A; Artoni, G; Artz, S; Asai, S; Asbah, N; Ashkenazi, A; Åsman, B; Asquith, L; Assamagan, K; Astalos, R; Atkinson, M; Atlay, N B; Augsten, K; Avolio, G; Axen, B; Ayoub, M K; Azuelos, G; Baak, M A; Baas, A E; Baca, M J; Bachacou, H; Bachas, K; Backes, M; Backhaus, M; Bagiacchi, P; Bagnaia, P; Bai, Y; Baines, J T; Bajic, M; Baker, O K; Baldin, E M; Balek, P; Balestri, T; Balli, F; Balunas, W K; Banas, E; Banerjee, Sw; Bannoura, A A E; Barak, L; Barberio, E L; Barberis, D; Barbero, M; Barillari, T; Barisits, M-S; Barklow, T; Barlow, N; Barnes, S L; Barnett, B M; Barnett, R M; Barnovska-Blenessy, Z; Baroncelli, A; Barone, G; Barr, A J; Barranco Navarro, L; Barreiro, F; da Costa, J Barreiro Guimarães; Bartoldus, R; Barton, A E; Bartos, P; Basalaev, A; Bassalat, A; Bates, R L; Batista, S J; Batley, J R; Battaglia, M; Bauce, M; Bauer, F; Bawa, H S; Beacham, J B; Beattie, M D; Beau, T; Beauchemin, P H; Bechtle, P; Beck, H P; Becker, K; Becker, M; Beckingham, M; Becot, C; Beddall, A J; Beddall, A; Bednyakov, V A; Bedognetti, M; Bee, C P; Beemster, L J; Beermann, T A; Begel, M; Behr, J K; Bell, A S; Bella, G; Bellagamba, L; Bellerive, A; Bellomo, M; Belotskiy, K; Beltramello, O; Belyaev, N L; Benary, O; Benchekroun, D; Bender, M; Bendtz, K; Benekos, N; Benhammou, Y; Benhar Noccioli, E; Benitez, J; Benjamin, D P; Bensinger, J R; Bentvelsen, S; Beresford, L; Beretta, M; Berge, D; Bergeaas Kuutmann, E; Berger, N; Beringer, J; Berlendis, S; Bernard, N R; Bernius, C; Bernlochner, F U; Berry, T; Berta, P; Bertella, C; Bertoli, G; Bertolucci, F; Bertram, I A; Bertsche, C; Bertsche, D; Besjes, G J; Bessidskaia Bylund, O; Bessner, M; Besson, N; Betancourt, C; Bethani, A; Bethke, S; Bevan, A J; Bianchi, R M; 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Cantero, J; Cao, T; Capeans Garrido, M D M; Caprini, I; Caprini, M; Capua, M; Carbone, R M; Cardarelli, R; Cardillo, F; Carli, I; Carli, T; Carlino, G; Carlson, B T; Carminati, L; Carney, R M D; Caron, S; Carquin, E; Carrillo-Montoya, G D; Carter, J R; Carvalho, J; Casadei, D; Casado, M P; Casolino, M; Casper, D W; Castaneda-Miranda, E; Castelijn, R; Castelli, A; Castillo Gimenez, V; Castro, N F; Catinaccio, A; Catmore, J R; Cattai, A; Caudron, J; Cavaliere, V; Cavallaro, E; Cavalli, D; Cavalli-Sforza, M; Cavasinni, V; Ceradini, F; Cerda Alberich, L; Cerqueira, A S; Cerri, A; Cerrito, L; Cerutti, F; Cervelli, A; Cetin, S A; Chafaq, A; Chakraborty, D; Chan, S K; Chan, Y L; Chang, P; Chapman, J D; Charlton, D G; Chatterjee, A; Chau, C C; Chavez Barajas, C A; Che, S; Cheatham, S; Chegwidden, A; Chekanov, S; Chekulaev, S V; Chelkov, G A; Chelstowska, M A; Chen, C; Chen, H; Chen, S; Chen, S; Chen, X; Chen, Y; Cheng, H C; Cheng, H J; Cheng, Y; Cheplakov, A; Cheremushkina, E; El Moursli, R Cherkaoui; Chernyatin, V; Cheu, E; Chevalier, L; Chiarella, V; Chiarelli, G; Chiodini, G; Chisholm, A S; Chitan, A; Chizhov, M V; Choi, K; Chomont, A R; Chouridou, S; Chow, B K B; Christodoulou, V; Chromek-Burckhart, D; Chudoba, J; Chuinard, A J; Chwastowski, J J; Chytka, L; Ciapetti, G; Ciftci, A K; Cinca, D; Cindro, V; Cioara, I A; Ciocca, C; Ciocio, A; Cirotto, F; Citron, Z H; Citterio, M; Ciubancan, M; Clark, A; Clark, B L; Clark, M R; Clark, P J; Clarke, R N; Clement, C; Coadou, Y; Cobal, M; Coccaro, A; Cochran, J; Colasurdo, L; Cole, B; Colijn, A P; Collot, J; Colombo, T; Conde Muiño, P; Coniavitis, E; Connell, S H; Connelly, I A; Consorti, V; Constantinescu, S; Conti, G; Conventi, F; Cooke, M; Cooper, B D; Cooper-Sarkar, A M; Cormier, F; Cormier, K J R; Cornelissen, T; Corradi, M; Corriveau, F; Cortes-Gonzalez, A; Cortiana, G; Costa, G; Costa, M J; Costanzo, D; Cottin, G; Cowan, G; Cox, B E; Cranmer, K; Crawley, S J; Cree, G; Crépé-Renaudin, S; Crescioli, F; Cribbs, W A; Crispin Ortuzar, M; Cristinziani, M; Croft, V; Crosetti, G; Cueto, A; Cuhadar Donszelmann, T; Cummings, J; Curatolo, M; Cúth, J; Czirr, H; Czodrowski, P; D'amen, G; D'Auria, S; D'Onofrio, M; Da Cunha Sargedas De Sousa, M J; Da Via, C; Dabrowski, W; Dado, T; Dai, T; Dale, O; Dallaire, F; Dallapiccola, C; Dam, M; Dandoy, J R; Dang, N P; Daniells, A C; Dann, N S; Danninger, M; Dano Hoffmann, M; Dao, V; Darbo, G; Darmora, S; Dassoulas, J; Dattagupta, A; Davey, W; David, C; Davidek, T; Davies, M; Davison, P; Dawe, E; Dawson, I; De, K; de Asmundis, R; De Benedetti, A; De Castro, S; De Cecco, S; De Groot, N; de Jong, P; De la Torre, H; De Lorenzi, F; De Maria, A; De Pedis, D; De Salvo, A; De Sanctis, U; De Santo, A; De Vivie De Regie, J B; Dearnaley, W J; Debbe, R; Debenedetti, C; Dedovich, D V; Dehghanian, N; Deigaard, I; Del Gaudio, M; Del Peso, J; Del Prete, T; Delgove, D; Deliot, F; Delitzsch, C M; Dell'Acqua, A; Dell'Asta, L; Dell'Orso, M; Della Pietra, M; Della Volpe, D; Delmastro, M; Delsart, P A; DeMarco, D A; Demers, S; Demichev, M; Demilly, A; Denisov, S P; Denysiuk, D; Derendarz, D; Derkaoui, J E; Derue, F; Dervan, P; Desch, K; Deterre, C; Dette, K; Deviveiros, P O; Dewhurst, A; Dhaliwal, S; Di Ciaccio, A; Di Ciaccio, L; Di Clemente, W K; Di Donato, C; Di Girolamo, A; Di Girolamo, B; Di Micco, B; Di Nardo, R; Di Petrillo, K F; Di Simone, A; Di Sipio, R; Di Valentino, D; Diaconu, C; Diamond, M; Dias, F A; Diaz, M A; Diehl, E B; Dietrich, J; Díez Cornell, S; Dimitrievska, A; Dingfelder, J; Dita, P; Dita, S; Dittus, F; Djama, F; Djobava, T; Djuvsland, J I; do Vale, M A B; Dobos, D; Dobre, M; Doglioni, C; Dolejsi, J; Dolezal, Z; Donadelli, M; Donati, S; Dondero, P; Donini, J; Dopke, J; Doria, A; Dova, M T; Doyle, A T; Drechsler, E; Dris, M; Du, Y; Duarte-Campderros, J; Duchovni, E; Duckeck, G; Ducu, O A; Duda, D; Dudarev, A; Dudder, A Chr; Duffield, E M; Duflot, L; Dührssen, M; Dumancic, M; Duncan, A K; Dunford, M; Duran Yildiz, H; Düren, M; Durglishvili, A; Duschinger, D; Dutta, B; Dyndal, M; Eckardt, C; Ecker, K M; Edgar, R C; Edwards, N C; Eifert, T; Eigen, G; Einsweiler, K; Ekelof, T; Kacimi, M El; Ellajosyula, V; Ellert, M; Elles, S; Ellinghaus, F; Elliot, A A; Ellis, N; Elmsheuser, J; Elsing, M; Emeliyanov, D; Enari, Y; Endner, O C; Ennis, J S; Erdmann, J; Ereditato, A; Ernis, G; Ernst, J; Ernst, M; Errede, S; Ertel, E; Escalier, M; Esch, H; Escobar, C; Esposito, B; Etienvre, A I; Etzion, E; Evans, H; Ezhilov, A; Fabbri, F; Fabbri, L; Facini, G; Fakhrutdinov, R M; Falciano, S; Falla, R J; Faltova, J; Fang, Y; Fanti, M; Farbin, A; Farilla, A; Farina, C; Farina, E M; Farooque, T; Farrell, S; Farrington, S M; Farthouat, P; Fassi, F; Fassnacht, P; Fassouliotis, D; Faucci Giannelli, M; Favareto, A; Fawcett, W J; Fayard, L; Fedin, O L; Fedorko, W; Feigl, S; Feligioni, L; Feng, C; Feng, E J; Feng, H; Fenyuk, A B; Feremenga, L; Fernandez Martinez, P; Fernandez Perez, S; Ferrando, J; Ferrari, A; Ferrari, P; Ferrari, R; de Lima, D E Ferreira; Ferrer, A; Ferrere, D; Ferretti, C; Fiedler, F; Filipčič, A; Filipuzzi, M; Filthaut, F; Fincke-Keeler, M; Finelli, K D; Fiolhais, M C N; Fiorini, L; Fischer, A; Fischer, C; Fischer, J; Fisher, W C; Flaschel, N; Fleck, I; Fleischmann, P; Fletcher, G T; Fletcher, R R M; Flick, T; Flierl, B M; Flores Castillo, L R; Flowerdew, M J; Forcolin, G T; Formica, A; Forti, A; Foster, A G; Fournier, D; Fox, H; Fracchia, S; Francavilla, P; Franchini, M; Francis, D; Franconi, L; Franklin, M; Frate, M; Fraternali, M; Freeborn, D; Fressard-Batraneanu, S M; Friedrich, F; Froidevaux, D; Frost, J A; Fukunaga, C; Fullana Torregrosa, E; Fusayasu, T; Fuster, J; Gabaldon, C; Gabizon, O; Gabrielli, A; Gabrielli, A; Gach, G P; Gadatsch, S; Gagliardi, G; Gagnon, L G; Gagnon, P; Galea, C; Galhardo, B; Gallas, E J; Gallop, B J; Gallus, P; Galster, G; Gan, K K; Ganguly, S; Gao, J; Gao, Y; Gao, Y S; Garay Walls, F M; García, C; García Navarro, J E; Garcia-Sciveres, M; Gardner, R W; Garelli, N; Garonne, V; Gascon Bravo, A; Gasnikova, K; Gatti, C; Gaudiello, A; Gaudio, G; Gauthier, L; Gavrilenko, I L; Gay, C; Gaycken, G; Gazis, E N; Gecse, Z; Gee, C N P; Geich-Gimbel, Ch; Geisen, M; Geisler, M P; Gellerstedt, K; Gemme, C; Genest, M H; Geng, C; Gentile, S; Gentsos, C; George, S; Gerbaudo, D; Gershon, A; Ghasemi, S; Ghneimat, M; Giacobbe, B; Giagu, S; Giannetti, P; Gibson, S M; Gignac, M; Gilchriese, M; Gillam, T P S; Gillberg, D; Gilles, G; Gingrich, D M; Giokaris, N; Giordani, M P; Giorgi, F M; Giraud, P F; Giromini, P; Giugni, D; Giuli, F; Giuliani, C; Giulini, M; Gjelsten, B K; Gkaitatzis, S; Gkialas, I; Gkougkousis, E L; Gladilin, L K; Glasman, C; Glatzer, J; Glaysher, P C F; Glazov, A; Goblirsch-Kolb, M; Godlewski, J; Goldfarb, S; Golling, T; Golubkov, D; Gomes, A; Gonçalo, R; Da Costa, J Goncalves Pinto Firmino; Gonella, G; Gonella, L; Gongadze, A; de la Hoz, S González; Gonzalez-Sevilla, S; Goossens, L; Gorbounov, P A; Gordon, H A; Gorelov, I; Gorini, B; Gorini, E; Gorišek, A; Goshaw, A T; Gössling, C; Gostkin, M I; Goudet, C R; Goujdami, D; Goussiou, A G; Govender, N; Gozani, E; Graber, L; Grabowska-Bold, I; Gradin, P O J; Grafström, P; Gramling, J; Gramstad, E; Grancagnolo, S; Gratchev, V; Gravila, P M; Gray, H M; Graziani, E; Greenwood, Z D; Grefe, C; Gregersen, K; Gregor, I M; Grenier, P; Grevtsov, K; Griffiths, J; Grillo, A A; Grimm, K; Grinstein, S; Gris, Ph; Grivaz, J-F; Groh, S; Gross, E; Grosse-Knetter, J; Grossi, G C; Grout, Z J; Guan, L; Guan, W; Guenther, J; Guescini, F; Guest, D; Gueta, O; Gui, B; Guido, E; Guillemin, T; Guindon, S; Gul, U; Gumpert, C; Guo, J; Guo, W; Guo, Y; Gupta, R; Gupta, S; Gustavino, G; Gutierrez, P; Gutierrez Ortiz, N G; Gutschow, C; Guyot, C; Gwenlan, C; Gwilliam, C B; Haas, A; Haber, C; Hadavand, H K; Hadef, A; Hageböck, S; Hagihara, M; Hakobyan, H; Haleem, M; Haley, J; Halladjian, G; Hallewell, G D; Hamacher, K; Hamal, P; Hamano, K; Hamilton, A; Hamity, G N; Hamnett, P G; Han, L; Han, S; Hanagaki, K; Hanawa, K; Hance, M; Haney, B; Hanke, P; Hanna, R; Hansen, J B; Hansen, J D; Hansen, M C; Hansen, P H; Hara, K; Hard, A S; Harenberg, T; Hariri, F; Harkusha, S; Harrington, R D; Harrison, P F; Hartjes, F; Hartmann, N M; Hasegawa, M; Hasegawa, Y; Hasib, A; Hassani, S; Haug, S; Hauser, R; Hauswald, L; Havranek, M; Hawkes, C M; Hawkings, R J; Hayakawa, D; Hayden, D; Hays, C P; Hays, J M; Hayward, H S; Haywood, S J; Head, S J; Heck, T; Hedberg, V; Heelan, L; Heim, S; Heim, T; Heinemann, B; Heinrich, J J; Heinrich, L; Heinz, C; Hejbal, J; Helary, L; Hellman, S; Helsens, C; Henderson, J; Henderson, R C W; Heng, Y; Henkelmann, S; Henriques Correia, A M; Henrot-Versille, S; Herbert, G H; Herde, H; Herget, V; Hernández Jiménez, Y; Herten, G; Hertenberger, R; Hervas, L; Hesketh, G G; Hessey, N P; Hetherly, J W; Higón-Rodriguez, E; Hill, E; Hill, J C; Hiller, K H; Hillier, S J; Hinchliffe, I; Hines, E; Hirose, M; Hirschbuehl, D; Hladik, O; Hoad, X; Hobbs, J; Hod, N; Hodgkinson, M C; Hodgson, P; Hoecker, A; Hoeferkamp, M R; Hoenig, F; Hohn, D; Holmes, T R; Homann, M; Honda, S; Honda, T; Hong, T M; Hooberman, B H; Hopkins, W H; Horii, Y; Horton, A J; Hostachy, J-Y; Hou, S; Hoummada, A; Howarth, J; Hoya, J; Hrabovsky, M; Hristova, I; Hrivnac, J; Hryn'ova, T; Hrynevich, A; Hsu, P J; Hsu, S-C; Hu, Q; Hu, S; Huang, Y; Hubacek, Z; Hubaut, F; Huegging, F; Huffman, T B; Hughes, E W; Hughes, G; Huhtinen, M; Huo, P; Huseynov, N; Huston, J; Huth, J; Iacobucci, G; Iakovidis, G; Ibragimov, I; Iconomidou-Fayard, L; Ideal, E; Iengo, P; Igonkina, O; Iizawa, T; Ikegami, Y; Ikeno, M; Ilchenko, Y; Iliadis, D; Ilic, N; Introzzi, G; Ioannou, P; Iodice, M; Iordanidou, K; Ippolito, V; Ishijima, N; Ishino, M; Ishitsuka, M; Issever, C; Istin, S; Ito, F; Iturbe Ponce, J M; Iuppa, R; Iwasaki, H; Izen, J M; Izzo, V; Jabbar, S; Jackson, B; Jackson, P; Jain, V; Jakobi, K B; Jakobs, K; Jakobsen, S; Jakoubek, T; Jamin, D O; Jana, D K; Jansky, R; Janssen, J; Janus, M; Janus, P A; Jarlskog, G; Javadov, N; Javůrek, T; Javurkova, M; Jeanneau, F; Jeanty, L; Jejelava, J; Jeng, G-Y; Jenni, P; Jeske, C; Jézéquel, S; 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Zimmermann, S; Zinonos, Z; Zinser, M; Ziolkowski, M; Živković, L; Zobernig, G; Zoccoli, A; Zur Nedden, M; Zwalinski, L

2017-01-01

This paper describes the algorithms for the reconstruction and identification of electrons in the central region of the ATLAS detector at the Large Hadron Collider (LHC). These algorithms were used for all ATLAS results with electrons in the final state that are based on the 2012 pp collision data produced by the LHC at [Formula: see text] = 8 [Formula: see text]. The efficiency of these algorithms, together with the charge misidentification rate, is measured in data and evaluated in simulated samples using electrons from [Formula: see text], [Formula: see text] and [Formula: see text] decays. For these efficiency measurements, the full recorded data set, corresponding to an integrated luminosity of 20.3 fb[Formula: see text], is used. Based on a new reconstruction algorithm used in 2012, the electron reconstruction efficiency is 97% for electrons with [Formula: see text] [Formula: see text] and 99% at [Formula: see text] [Formula: see text]. Combining this with the efficiency of additional selection criteria to reject electrons from background processes or misidentified hadrons, the efficiency to reconstruct and identify electrons at the ATLAS experiment varies from 65 to 95%, depending on the transverse momentum of the electron and background rejection.

Reconstructing the Initial Density Field of the Local Universe: Methods and Tests with Mock Catalogs

NASA Astrophysics Data System (ADS)

Wang, Huiyuan; Mo, H. J.; Yang, Xiaohu; van den Bosch, Frank C.

2013-07-01

Our research objective in this paper is to reconstruct an initial linear density field, which follows the multivariate Gaussian distribution with variances given by the linear power spectrum of the current cold dark matter model and evolves through gravitational instabilities to the present-day density field in the local universe. For this purpose, we develop a Hamiltonian Markov Chain Monte Carlo method to obtain the linear density field from a posterior probability function that consists of two components: a prior of a Gaussian density field with a given linear spectrum and a likelihood term that is given by the current density field. The present-day density field can be reconstructed from galaxy groups using the method developed in Wang et al. Using a realistic mock Sloan Digital Sky Survey DR7, obtained by populating dark matter halos in the Millennium simulation (MS) with galaxies, we show that our method can effectively and accurately recover both the amplitudes and phases of the initial, linear density field. To examine the accuracy of our method, we use N-body simulations to evolve these reconstructed initial conditions to the present day. The resimulated density field thus obtained accurately matches the original density field of the MS in the density range 0.3 \\lesssim \\rho /\\bar{\\rho } \\lesssim 20 without any significant bias. In particular, the Fourier phases of the resimulated density fields are tightly correlated with those of the original simulation down to a scale corresponding to a wavenumber of ~1 h Mpc-1, much smaller than the translinear scale, which corresponds to a wavenumber of ~0.15 h Mpc-1.

Beyond CMB cosmic variance limits on reionization with the polarized Sunyaev-Zel'dovich effect

NASA Astrophysics Data System (ADS)

Meyers, Joel; Meerburg, P. Daniel; van Engelen, Alexander; Battaglia, Nicholas

2018-05-01

Upcoming cosmic microwave background (CMB) surveys will soon make the first detection of the polarized Sunyaev-Zel'dovich effect, the linear polarization generated by the scattering of CMB photons on the free electrons present in collapsed objects. Measurement of this polarization along with knowledge of the electron density of the objects allows a determination of the quadrupolar temperature anisotropy of the CMB as viewed from the space-time location of the objects. Maps of these remote temperature quadrupoles have several cosmological applications. Here we propose a new application: the reconstruction of the cosmological reionization history. We show that with quadrupole measurements out to redshift 3, constraints on the mean optical depth can be improved by an order of magnitude beyond the CMB cosmic variance limit.

Anomaly detection in reconstructed quantum states using a machine-learning technique

NASA Astrophysics Data System (ADS)

Hara, Satoshi; Ono, Takafumi; Okamoto, Ryo; Washio, Takashi; Takeuchi, Shigeki

2014-02-01

The accurate detection of small deviations in given density matrices is important for quantum information processing. Here we propose a method based on the concept of data mining. We demonstrate that the proposed method can more accurately detect small erroneous deviations in reconstructed density matrices, which contain intrinsic fluctuations due to the limited number of samples, than a naive method of checking the trace distance from the average of the given density matrices. This method has the potential to be a key tool in broad areas of physics where the detection of small deviations of quantum states reconstructed using a limited number of samples is essential.

Remote Sensing of Ionosphere by IONOLAB Group

NASA Astrophysics Data System (ADS)

Arikan, Feza

2016-07-01

Ionosphere is a temporally and spatially varying, dispersive, anisotropic and inhomogeneous medium that is characterized primarily by its electron density distribution. Electron density is a complex function of spatial and temporal variations of solar, geomagnetic, and seismic activities. Ionosphere is the main source of error for navigation and positioning systems and satellite communication. Therefore, characterization and constant monitoring of variability of the ionosphere is of utmost importance for the performance improvement of these systems. Since ionospheric electron density is not a directly measurable quantity, an important derivable parameter is the Total Electron Content (TEC), which is used widely to characterize the ionosphere. TEC is proportional to the total number of electrons on a line crossing the atmosphere. IONOLAB is a research group is formed by Hacettepe University, Bilkent University and Kastamonu University, Turkey gathered to handle the challenges of the ionosphere using state-of-the-art remote sensing and signal processing techniques. IONOLAB group provides unique space weather services of IONOLAB-TEC, International Reference Ionosphere extended to Plasmasphere (IRI-Plas) model based IRI-Plas-MAP, IRI-Plas-STEC and Online IRI-Plas-2015 model at www.ionolab.org. IONOLAB group has been working for imaging and monitoring of ionospheric structure for the last 15 years. TEC is estimated from dual frequency GPS receivers as IONOLAB-TEC using IONOLAB-BIAS. For high spatio-temporal resolution 2-D imaging or mapping, IONOLAB-MAP algorithm is developed that uses automated Universal Kriging or Ordinary Kriging in which the experimental semivariogram is fitted to Matern Function with Particle Swarm Optimization (PSO). For 3-D imaging of ionosphere and 1-D vertical profiles of electron density, state-of-the-art IRI-Plas model based IONOLAB-CIT algorithm is developed for regional reconstruction that employs Kalman Filters for state/temporal transition. IONOLAB group contributes to remote sensing of upper atmosphere, ionosphere and plasmasphere with continuing TUBITAK projects. IONOLAB group is open to joint research and collaboration with researchers from all disciplines that investigate the challenges of ionosphere and space weather. This study is supported by TUBITAK 114E541, 115E915 and Joint TUBITAK 114E092 and AS CR 14/001 projects.

Densely packed beta-structure at the protein-lipid interface of porin is revealed by high-resolution cryo-electron microscopy.

PubMed

Sass, H J; Büldt, G; Beckmann, E; Zemlin, F; van Heel, M; Zeitler, E; Rosenbusch, J P; Dorset, D L; Massalski, A

1989-09-05

Porin is an integral membrane protein that forms channels across the outer membrane of Escherichia coli. Electron microscopic studies of negatively stained two-dimensional porin crystals have shown three stain accumulations per porin trimer, revealing the locations of pores spanning the membrane. In this study, reconstituted porin lattices embedded in glucose were investigated using the low-dose technique on a cryo-electron microscope equipped with a helium-cooled superconducting objective lens. The specimen temperature was maintained at 5 K to yield an improved microscopic and specimen stability. Under these conditions, we obtained for the first time electron diffraction patterns from porin lattices to a resolution of 3.2 A and images showing optical diffraction up to a resolution of 4.9 A. Applying correlation averaging techniques to the digitized micrographs, we were able to reconstruct projected images of the porin trimer to a resolution of up to 3.5 A. In the final projection maps, amplitudes from electron diffraction and phases from these images were combined. The predominant feature is a high-density narrow band (about 6 A in thickness) that delineates the outer perimeter of the trimer. Since the molecule consists of almost exclusively beta-sheet structure, as revealed by spectroscopic data, we conclude that this band is a cylindrical beta-pleated sheet crossing the membrane nearly perpendicularly to its plane. Another intriguing finding is a low-density area (about 70 A2) situated in the centre of the trimer.

StructMap: Elastic Distance Analysis of Electron Microscopy Maps for Studying Conformational Changes.

PubMed

Sanchez Sorzano, Carlos Oscar; Alvarez-Cabrera, Ana Lucia; Kazemi, Mohsen; Carazo, Jose María; Jonić, Slavica

2016-04-26

Single-particle electron microscopy (EM) has been shown to be very powerful for studying structures and associated conformational changes of macromolecular complexes. In the context of analyzing conformational changes of complexes, distinct EM density maps obtained by image analysis and three-dimensional (3D) reconstruction are usually analyzed in 3D for interpretation of structural differences. However, graphic visualization of these differences based on a quantitative analysis of elastic transformations (deformations) among density maps has not been done yet due to a lack of appropriate methods. Here, we present an approach that allows such visualization. This approach is based on statistical analysis of distances among elastically aligned pairs of EM maps (one map is deformed to fit the other map), and results in visualizing EM maps as points in a lower-dimensional distance space. The distances among points in the new space can be analyzed in terms of clusters or trajectories of points related to potential conformational changes. The results of the method are shown with synthetic and experimental EM maps at different resolutions. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Magnetospheric Radio Tomography: Observables, Algorithms, and Experimental Analysis

NASA Technical Reports Server (NTRS)

Cummer, Steven

2005-01-01

This grant supported research towards developing magnetospheric electron density and magnetic field remote sensing techniques via multistatic radio propagation and tomographic image reconstruction. This work was motivated by the need to better develop the basic technique of magnetospheric radio tomography, which holds substantial promise as a technology uniquely capable of imaging magnetic field and electron density in the magnetosphere on large scales with rapid cadence. Such images would provide an unprecedented and needed view into magnetospheric processes. By highlighting the systems-level interconnectedness of different regions, our understanding of space weather processes and ability to predict them would be dramatically enhanced. Three peer-reviewed publications and 5 conference presentations have resulted from this work, which supported 1 PhD student and 1 postdoctoral researcher. One more paper is in progress and will be submitted shortly. Because the main results of this research have been published or are soon to be published in refereed journal articles listed in the reference section of this document, we provide here an overview of the research and accomplishments without describing all of the details that are contained in the articles.

X-ray Reflectivity Study of Ionic Liquids at Electrified Surfaces

NASA Astrophysics Data System (ADS)

Chu, Miaoqi

X-ray reflectivity (XRR) versatile technique that characterize the surface structures. However, due to the lack of phase information of X-ray data, the reconstruction of electron density profile (EDP) from XRR data is an ill-posed inverse problem that requires extra attention. In Chapter 1, several key concepts in XRR data analysis are reviewed. The typical XRR data acquisition procedure and methods of modeling electron density are introduced. The widely used logarithm form of merit function is justified with mathematical deduction and numerical experiment. A scheme that generates artificial reflectivity data with theoretical statistical error but not systematical error is proposed. With the methods and schemes described in Chapter 1, simulated reflectivity data of a simple one-slab model is generated and fitted to test the efficient of EDP reconstruction. By isolating the parameters, the effects of slab width, electron density contrast and maximal wave transfer are studied individually. It?s demonstrated that best-fit/global minima, result reported by most XRR studies, don?t necessary reflect the real EDP. By contrast, mapping the merit function in the parametric space can capture much more details. Additionally, the widely accepted concept about the XRR theoretical spatial resolution (pi/q_{max}) as well the using Patterson function are brought to test. In the perspective of XRR data analysis, this chapter puts forward general rules to design and optimize XRR experiments. It also demonstrates how susceptible the fitting result will be if it?s not done carefully. In Chapter 3, the interface between hydrophobic OTS film and several solvents is studied with XRR in a transmission-cell setup. The solvents, from water, acetone, to alcohol (methanol, ethanol, 1-propanol), to alkane (pentane, hexane and heptane), vary significantly in terms of polarity and hydrogen bonding. However, the XRR data from different solvents are subtle. The methods and principles elicited in previous chapters are employed to extract information about the solid-liquid interface. Electron density depletion due to methyl terminal of solvent molecules (methyl gap) and due to the reduced surface density compared to the bulk density (density gap) are analyzed. In the next Chapter, XRR technique is employed to study the structures and dynamics of room temperature ionic liquids (RTILs) at an electrified surface. RTILs are molten salts at room temperature, consisted purely by anions and cations, with potential applications in energy storage, electro-synthesis, electrodeposition etc. The solvent-free and high charge concentrated novel liquids process many unique properties that not seen in normal dilute salt solution. It is predicted that when a surface isn't highly charged, RTILs form alternating layers of anion/cation to screen the surface charge; when it's highly charged, a crowding layer with ions with like charge forms. The alternating structure has been observed experimentally but not the crowding layer. Following the rules of optimization XRR experiment in Chapter 2, conductive silicon which has small electron density is used which maximize the EDP contrast. This makes it possible to directly observe the formation of crowding layer. The thickness of this crowding layer, charge distributions and compositions as a function of applied voltage. The dynamics of anion/cation reorganization in RTILs determine the power density for RTILs? energy application. In Chapter 5, the time-dependence of the formation and dissipation of the crowding layer is studied with XRR. An ultra-slow dynamic, much longer than the typical RC time constant, is revealed. Comparisons with theoretical predications and experiments studies are made in order to understand the origin of this process. The thesis is summarized in Chapter 6, along with several proposals for future work.

The clustering of galaxies in the SDSS-III Baryon Oscillation Spectroscopic Survey: effect of smoothing of density field on reconstruction and anisotropic BAO analysis

NASA Astrophysics Data System (ADS)

Vargas-Magaña, Mariana; Ho, Shirley; Fromenteau, Sebastien.; Cuesta, Antonio. J.

2017-05-01

The reconstruction algorithm introduced by Eisenstein et al., which is widely used in clustering analysis, is based on the inference of the first-order Lagrangian displacement field from the Gaussian smoothed galaxy density field in redshift space. The smoothing scale applied to the density field affects the inferred displacement field that is used to move the galaxies, and partially erases the non-linear evolution of the density field. In this article, we explore this crucial step in the reconstruction algorithm. We study the performance of the reconstruction technique using two metrics: first, we study the performance using the anisotropic clustering, extending previous studies focused on isotropic clustering; secondly, we study its effect on the displacement field. We find that smoothing has a strong effect in the quadrupole of the correlation function and affects the accuracy and precision with which we can measure DA(z) and H(z). We find that the optimal smoothing scale to use in the reconstruction algorithm applied to Baryonic Oscillations Spectroscopic Survey-Constant (stellar) MASS (CMASS) is between 5 and 10 h-1 Mpc. Varying from the `usual' 15-5 h-1 Mpc shows ˜0.3 per cent variations in DA(z) and ˜0.4 per cent H(z) and uncertainties are also reduced by 40 per cent and 30 per cent, respectively. We also find that the accuracy of velocity field reconstruction depends strongly on the smoothing scale used for the density field. We measure the bias and uncertainties associated with different choices of smoothing length.

Extreme ultraviolet and Soft X-ray diagnostic upgrade on the HBT-EP tokamak: Progress and Results

NASA Astrophysics Data System (ADS)

Desanto, S.; Levesque, J. P.; Battey, A.; Brooks, J. W.; Mauel, M. E.; Navratil, G. A.; Hansen, C. J.

2017-10-01

In order to understand internal MHD mode structure in a tokamak plasma, it is helpful to understand temperature and density fluctuations within that plasma. In the HBT-EP tokamak, the plasma emits bremsstrahlung radiation in the extreme ultraviolet (EUV) and soft x-ray (SXR) regimes, and the emitted power is primarily related to electron density and temperature. This radiation is detected by photodiode arrays located at several different angular positions near the plasma's edge, each array making several views through a poloidal slice of plasma. From these measurements a 2-d emissivity profile of that slice can be reconstructed with tomographic algorithms. This profile cannot directly tell us whether the emissivity is due to electron density, temperature, line emission, or charge recombination; however, when combined with information from other diagnostics, it can provide strong evidence of the type of internal mode or modes depending on the temporal-spatial context. We present ongoing progress and results on the installation of a new system that will eventually consist of four arrays of 16 views each and a separate two-color, 16-chord tangential system, which will provide an improved understanding of the internal structure of HBT-EP plasmas. Supported by U.S. DOE Grant DE-FG02-86ER5322.

The influence of synaptic size on AMPA receptor activation: a Monte Carlo model.

PubMed

Montes, Jesus; Peña, Jose M; DeFelipe, Javier; Herreras, Oscar; Merchan-Perez, Angel

2015-01-01

Physiological and electron microscope studies have shown that synapses are functionally and morphologically heterogeneous and that variations in size of synaptic junctions are related to characteristics such as release probability and density of postsynaptic AMPA receptors. The present article focuses on how these morphological variations impact synaptic transmission. We based our study on Monte Carlo computational simulations of simplified model synapses whose morphological features have been extracted from hundreds of actual synaptic junctions reconstructed by three-dimensional electron microscopy. We have examined the effects that parameters such as synaptic size or density of AMPA receptors have on the number of receptors that open after release of a single synaptic vesicle. Our results indicate that the maximum number of receptors that will open after the release of a single synaptic vesicle may show a ten-fold variation in the whole population of synapses. When individual synapses are considered, there is also a stochastical variability that is maximal in small synapses with low numbers of receptors. The number of postsynaptic receptors and the size of the synaptic junction are the most influential parameters, while the packing density of receptors or the concentration of extrasynaptic transporters have little or no influence on the opening of AMPA receptors.

The Influence of Synaptic Size on AMPA Receptor Activation: A Monte Carlo Model

PubMed Central

Montes, Jesus; Peña, Jose M.; DeFelipe, Javier; Herreras, Oscar; Merchan-Perez, Angel

2015-01-01

Physiological and electron microscope studies have shown that synapses are functionally and morphologically heterogeneous and that variations in size of synaptic junctions are related to characteristics such as release probability and density of postsynaptic AMPA receptors. The present article focuses on how these morphological variations impact synaptic transmission. We based our study on Monte Carlo computational simulations of simplified model synapses whose morphological features have been extracted from hundreds of actual synaptic junctions reconstructed by three-dimensional electron microscopy. We have examined the effects that parameters such as synaptic size or density of AMPA receptors have on the number of receptors that open after release of a single synaptic vesicle. Our results indicate that the maximum number of receptors that will open after the release of a single synaptic vesicle may show a ten-fold variation in the whole population of synapses. When individual synapses are considered, there is also a stochastical variability that is maximal in small synapses with low numbers of receptors. The number of postsynaptic receptors and the size of the synaptic junction are the most influential parameters, while the packing density of receptors or the concentration of extrasynaptic transporters have little or no influence on the opening of AMPA receptors. PMID:26107874

Short-term reproducibility of computed tomography-based lung density measurements in alpha-1 antitrypsin deficiency and smokers with emphysema.

PubMed

Shaker, S B; Dirksen, A; Laursen, L C; Maltbaek, N; Christensen, L; Sander, U; Seersholm, N; Skovgaard, L T; Nielsen, L; Kok-Jensen, A

2004-07-01

To study the short-term reproducibility of lung density measurements by multi-slice computed tomography (CT) using three different radiation doses and three reconstruction algorithms. Twenty-five patients with smoker's emphysema and 25 patients with alpha1-antitrypsin deficiency underwent 3 scans at 2-week intervals. Low-dose protocol was applied, and images were reconstructed with bone, detail, and soft algorithms. Total lung volume (TLV), 15th percentile density (PD-15), and relative area at -910 Hounsfield units (RA-910) were obtained from the images using Pulmo-CMS software. Reproducibility of PD-15 and RA-910 and the influence of radiation dose, reconstruction algorithm, and type of emphysema were then analysed. The overall coefficient of variation of volume adjusted PD-15 for all combinations of radiation dose and reconstruction algorithm was 3.7%. The overall standard deviation of volume-adjusted RA-910 was 1.7% (corresponding to a coefficient of variation of 6.8%). Radiation dose, reconstruction algorithm, and type of emphysema had no significant influence on the reproducibility of PD-15 and RA-910. However, bone algorithm and very low radiation dose result in overestimation of the extent of emphysema. Lung density measurement by CT is a sensitive marker for quantitating both subtypes of emphysema. A CT-protocol with radiation dose down to 16 mAs and soft or detail reconstruction algorithm is recommended.

The properties of SIRT, TVM, and DART for 3D imaging of tubular domains in nanocomposite thin-films and sections.

PubMed

Chen, Delei; Goris, Bart; Bleichrodt, Folkert; Mezerji, Hamed Heidari; Bals, Sara; Batenburg, Kees Joost; de With, Gijsbertus; Friedrich, Heiner

2014-12-01

In electron tomography, the fidelity of the 3D reconstruction strongly depends on the employed reconstruction algorithm. In this paper, the properties of SIRT, TVM and DART reconstructions are studied with respect to having only a limited number of electrons available for imaging and applying different angular sampling schemes. A well-defined realistic model is generated, which consists of tubular domains within a matrix having slab-geometry. Subsequently, the electron tomography workflow is simulated from calculated tilt-series over experimental effects to reconstruction. In comparison with the model, the fidelity of each reconstruction method is evaluated qualitatively and quantitatively based on global and local edge profiles and resolvable distance between particles. Results show that the performance of all reconstruction methods declines with the total electron dose. Overall, SIRT algorithm is the most stable method and insensitive to changes in angular sampling. TVM algorithm yields significantly sharper edges in the reconstruction, but the edge positions are strongly influenced by the tilt scheme and the tubular objects become thinned. The DART algorithm markedly suppresses the elongation artifacts along the beam direction and moreover segments the reconstruction which can be considered a significant advantage for quantification. Finally, no advantage of TVM and DART to deal better with fewer projections was observed. Copyright © 2014 Elsevier B.V. All rights reserved.

Density perturbation in the models reconstructed from jerk parameter

NASA Astrophysics Data System (ADS)

Sinha, Srijita; Banerjee, Narayan

2018-06-01

The present work deals with the late time evolution of the linear density contrast in the dark energy models reconstructed from the jerk parameter. It is found that the non-interacting models are favoured compared to the models where an interaction is allowed in the dark sector.

Extending unbiased stereology of brain ultrastructure to three-dimensional volumes

NASA Technical Reports Server (NTRS)

Fiala, J. C.; Harris, K. M.; Koslow, S. H. (Principal Investigator)

2001-01-01

OBJECTIVE: Analysis of brain ultrastructure is needed to reveal how neurons communicate with one another via synapses and how disease processes alter this communication. In the past, such analyses have usually been based on single or paired sections obtained by electron microscopy. Reconstruction from multiple serial sections provides a much needed, richer representation of the three-dimensional organization of the brain. This paper introduces a new reconstruction system and new methods for analyzing in three dimensions the location and ultrastructure of neuronal components, such as synapses, which are distributed non-randomly throughout the brain. DESIGN AND MEASUREMENTS: Volumes are reconstructed by defining transformations that align the entire area of adjacent sections. Whole-field alignment requires rotation, translation, skew, scaling, and second-order nonlinear deformations. Such transformations are implemented by a linear combination of bivariate polynomials. Computer software for generating transformations based on user input is described. Stereological techniques for assessing structural distributions in reconstructed volumes are the unbiased bricking, disector, unbiased ratio, and per-length counting techniques. A new general method, the fractional counter, is also described. This unbiased technique relies on the counting of fractions of objects contained in a test volume. A volume of brain tissue from stratum radiatum of hippocampal area CA1 is reconstructed and analyzed for synaptic density to demonstrate and compare the techniques. RESULTS AND CONCLUSIONS: Reconstruction makes practicable volume-oriented analysis of ultrastructure using such techniques as the unbiased bricking and fractional counter methods. These analysis methods are less sensitive to the section-to-section variations in counts and section thickness, factors that contribute to the inaccuracy of other stereological methods. In addition, volume reconstruction facilitates visualization and modeling of structures and analysis of three-dimensional relationships such as synaptic connectivity.

Complexity in congestive heart failure: A time-frequency approach

NASA Astrophysics Data System (ADS)

Banerjee, Santo; Palit, Sanjay K.; Mukherjee, Sayan; Ariffin, MRK; Rondoni, Lamberto

2016-03-01

Reconstruction of phase space is an effective method to quantify the dynamics of a signal or a time series. Various phase space reconstruction techniques have been investigated. However, there are some issues on the optimal reconstructions and the best possible choice of the reconstruction parameters. This research introduces the idea of gradient cross recurrence (GCR) and mean gradient cross recurrence density which shows that reconstructions in time frequency domain preserve more information about the dynamics than the optimal reconstructions in time domain. This analysis is further extended to ECG signals of normal and congestive heart failure patients. By using another newly introduced measure—gradient cross recurrence period density entropy, two classes of aforesaid ECG signals can be classified with a proper threshold. This analysis can be applied to quantifying and distinguishing biomedical and other nonlinear signals.

Optimal noise reduction in 3D reconstructions of single particles using a volume-normalized filter

PubMed Central

Sindelar, Charles V.; Grigorieff, Nikolaus

2012-01-01

The high noise level found in single-particle electron cryo-microscopy (cryo-EM) image data presents a special challenge for three-dimensional (3D) reconstruction of the imaged molecules. The spectral signal-to-noise ratio (SSNR) and related Fourier shell correlation (FSC) functions are commonly used to assess and mitigate the noise-generated error in the reconstruction. Calculation of the SSNR and FSC usually includes the noise in the solvent region surrounding the particle and therefore does not accurately reflect the signal in the particle density itself. Here we show that the SSNR in a reconstructed 3D particle map is linearly proportional to the fractional volume occupied by the particle. Using this relationship, we devise a novel filter (the “single-particle Wiener filter”) to minimize the error in a reconstructed particle map, if the particle volume is known. Moreover, we show how to approximate this filter even when the volume of the particle is not known, by optimizing the signal within a representative interior region of the particle. We show that the new filter improves on previously proposed error-reduction schemes, including the conventional Wiener filter as well as figure-of-merit weighting, and quantify the relationship between all of these methods by theoretical analysis as well as numeric evaluation of both simulated and experimentally collected data. The single-particle Wiener filter is applicable across a broad range of existing 3D reconstruction techniques, but is particularly well suited to the Fourier inversion method, leading to an efficient and accurate implementation. PMID:22613568

Recombinant Production, Reconstruction in Lipid-Protein Nanodiscs, and Electron Microscopy of Full-Length α-Subunit of Human Potassium Channel Kv7.1.

PubMed

Shenkarev, Z O; Karlova, M G; Kulbatskii, D S; Kirpichnikov, M P; Lyukmanova, E N; Sokolova, O S

2018-05-01

Voltage-gated potassium channel Kv7.1 plays an important role in the excitability of cardiac muscle. The α-subunit of Kv7.1 (KCNQ1) is the main structural element of this channel. Tetramerization of KCNQ1 in the membrane results in formation of an ion channel, which comprises a pore and four voltage-sensing domains. Mutations in the human KCNQ1 gene are one of the major causes of inherited arrhythmias, long QT syndrome in particular. The construct encoding full-length human KCNQ1 protein was synthesized in this work, and an expression system in the Pichia pastoris yeast cells was developed. The membrane fraction of the yeast cells containing the recombinant protein (rKCNQ1) was solubilized with CHAPS detergent. To better mimic the lipid environment of the channel, lipid-protein nanodiscs were formed using solubilized membrane fraction and MSP2N2 protein. The rKCNQ1/nanodisc and rKCNQ1/CHAPS samples were purified using the Rho1D4 tag introduced at the C-terminus of the protein. Protein samples were examined using transmission electron microscopy with negative staining. In both cases, homogeneous rKCNQ1 samples were observed based on image analysis. Statistical analysis of the images of individual protein particles solubilized in the detergent revealed the presence of a tetrameric structure confirming intact subunit assembly. A three-dimensional channel structure reconstructed at 2.5-nm resolution represents a compact density with diameter of the membrane part of ~9 nm and height ~11 nm. Analysis of the images of rKCNQ1 in nanodiscs revealed additional electron density corresponding to the lipid bilayer fragment and the MSP2N2 protein. These results indicate that the nanodiscs facilitate protein isolation, purification, and stabilization in solution and can be used for further structural studies of human Kv7.1.

ATOMIC RESOLUTION CRYO ELECTRON MICROSCOPY OF MACROMOLECULAR COMPLEXES

PubMed Central

ZHOU, Z. HONG

2013-01-01

Single-particle cryo electron microscopy (cryoEM) is a technique for determining three-dimensional (3D) structures from projection images of molecular complexes preserved in their “native,” noncrystalline state. Recently, atomic or near-atomic resolution structures of several viruses and protein assemblies have been determined by single-particle cryoEM, allowing ab initio atomic model building by following the amino acid side chains or nucleic acid bases identifiable in their cryoEM density maps. In particular, these cryoEM structures have revealed extended arms contributing to molecular interactions that are otherwise not resolved by the conventional structural method of X-ray crystallography at similar resolutions. High-resolution cryoEM requires careful consideration of a number of factors, including proper sample preparation to ensure structural homogeneity, optimal configuration of electron imaging conditions to record high-resolution cryoEM images, accurate determination of image parameters to correct image distortions, efficient refinement and computation to reconstruct a 3D density map, and finally appropriate choice of modeling tools to construct atomic models for functional interpretation. This progress illustrates the power of cryoEM and ushers it into the arsenal of structural biology, alongside conventional techniques of X-ray crystallography and NMR, as a major tool (and sometimes the preferred one) for the studies of molecular interactions in supramolecular assemblies or machines. PMID:21501817

Probing the Properties of the Molecular Adlayers on Metal Substrates: Scanning Tunneling Microscopy Study of Amine Adsorption on Gold(111) and Graphene Nanoislands on Cobalt(0001)

NASA Astrophysics Data System (ADS)

Zhou, Hui

In this thesis, we present our findings on two major topics, both of which are studies of molecules on metal surfaces by scanning tunneling microscopy (STM). The first topic is on adsorption of a model amine compound, 1,4-benzenediamine (BDA), on the reconstructed Au(111) surface, chosen for its potential application as a molecular electronic device. The molecules were deposited in the gas phase onto the substrate in the vacuum chamber. Five different patterns of BDA molecules on the surface at different coverages, and the preferred adsorption sites of BDA molecules on reconstructed Au(111) surface, were observed. In addition, BDA molecules were susceptible to tip-induced movement, suggesting that BDA molecules on metal surfaces can be a potential candidate in STM molecular manipulations. We also studied graphene nanoislands on Co(0001) in the hope of understanding interaction of expitaxially grown graphene and metal substrates. This topic can shed a light on the potential application of graphene as an electronic device, especially in spintronics. The graphene nanoislands were formed by annealing contorted hexabenzocoronene (HBC) on the Co(0001) surface. In our experiments, we have determined atop registry of graphene atoms with respect to the underlying Co surface. We also investigated the low-energy electronic structures of graphene nanoislands by scanning tunneling spectroscopy. The result was compared with a first-principle calculation using density functional theory (DFT) which suggested strong coupling between graphene pi-bands and cobalt d-electrons. We also observed that the islands exhibit zigzag edges, which exhibits unique electronic structures compared with the center areas of the islands.

Quantitative computed tomography and cranial burr holes: a model to evaluate the quality of cranial reconstruction in humans.

PubMed

Worm, Paulo Valdeci; Ferreira, Nelson Pires; Ferreira, Marcelo Paglioli; Kraemer, Jorge Luiz; Lenhardt, Rene; Alves, Ronnie Peterson Marcondes; Wunderlich, Ricardo Castilho; Collares, Marcus Vinicius Martins

2012-05-01

Current methods to evaluate the biologic development of bone grafts in human beings do not quantify results accurately. Cranial burr holes are standardized critical bone defects, and the differences between bone powder and bone grafts have been determined in numerous experimental studies. This study evaluated quantitative computed tomography (QCT) as a method to objectively measure cranial bone density after cranial reconstruction with autografts. In each of 8 patients, 2 of 4 surgical burr holes were reconstructed with autogenous wet bone powder collected during skull trephination, and the other 2 holes, with a circular cortical bone fragment removed from the inner table of the cranial bone flap. After 12 months, the reconstructed areas and a sample of normal bone were studied using three-dimensional QCT; bone density was measured in Hounsfield units (HU). Mean (SD) bone density was 1535.89 (141) HU for normal bone (P < 0.0001), 964 (176) HU for bone fragments, and 453 (241) HU for bone powder (P < 0.001). As expected, the density of the bone fragment graft was consistently greater than that of bone powder. Results confirm the accuracy and reproducibility of QCT, already demonstrated for bone in other locations, and suggest that it is an adequate tool to evaluate cranial reconstructions. The combination of QCT and cranial burr holes is an excellent model to accurately measure the quality of new bone in cranial reconstructions and also seems to be an appropriate choice of experimental model to clinically test any cranial bone or bone substitute reconstruction.

Real-time reconstruction of topside ionosphere scale height from coordinated GPS-TEC and ionosonde observations

NASA Astrophysics Data System (ADS)

Gulyaeva, Tamara; Poustovalova, Ljubov

The International Reference Ionosphere model extended to the plasmasphere, IRI-Plas, has been recently updated for assimilation of total electron content, TEC, derived from observations with Global Navigation Satellite System, GNSS. The ionosonde products of the F2 layer peak density (NmF2) and height (hmF2) ensure true electron density maximum at the F2 peak. The daily solar and magnetic indices used by IRI-Plas code are compiled in data files including the 3-hour ap and kp magnetic index from 1958 onward, 12-monthly smoothed sunspot number R12 and Global Electron Content GEC12, daily solar radio flux F10.7 and daily sunspot number Ri. The 3-h ap-index is available in Real Time, RT, mode from GFZ, Potsdam, Germany, daily update of F10.7 is provided by Space Weather Canada service, and daily estimated international sunspot number Ri is provided by Solar Influences Data Analysis Center, SIDC, Belgium. For IRI-Plas-RT operation in regime of the daily update and prediction of the F2 layer peak parameters, the proxy kp and ap forecast for 3 to 24 hours ahead based on data for preceding 12 hours is applied online at http://www.izmiran.ru/services/iweather/. The topside electron density profile of IRI-Plas code is expressed with complementary half-peak density anchor height above hmF2 which corresponds to transition O+/H+ height. The present investigation is focused on reconstruction of topside ionosphere scale height using vertical total electron content (TEC) data derived from the Global Positioning System GPS observations and the ionosonde derived F2 layer peak parameters from 25 observatories ingested into IRI-Plas model. GPS-TEC and ionosonde measurements at solar maximum (September, 2002, and October, 2003) for quiet, positively disturbed, and negatively disturbed days of the month are used to obtain the topside scale height, Htop, representing the range of altitudes from hmF2 to the height where NmF2 decay by e times occurs. Mapping of the F2 layer peak parameters and TEC allows interpolate these parameters at coordinated grid sites from independent GPS receivers and ionosondes data. Exponential scale height Htop exceeds scale height HT of the α-Chapman layer by 3 times - the latter refers to a narrow altitude range from hmF2 to the height of 1.2 times decay of NmF2. While typical quiet daytime value of the topside scale height is around 200 km, it can be enhanced by 2-3 times during the negative phase of the ionospheric storm as it is captured by IRI-Plas-RT model ingesting the F2 peak and TEC data. This study is supported by the joint grant of RFBR 13-02-91370-CT_a and TUBITAK 112E568.

Ultrasonic model and system for measurement of corneal biomechanical properties and validation on phantoms.

PubMed

Liu, Jun; He, Xiaoyin; Pan, Xueliang; Roberts, Cynthia J

2007-01-01

Non-invasive measurement of biomechanical properties of corneas may provide important information for ocular disease management and therapeutic procedures. An ultrasonic non-destructive evaluation method with a wave propagation model was developed to determine corneal biomechanical properties in vivo. In this study, we tested the feasibility of the approach in differentiating the mechanical properties of soft contact lenses as corneal phantoms. Three material types of soft contact lenses (six samples in each group) were measured using a broadband ultrasound transducer. The ultrasonic reflections from the contact lenses were recorded by a 500MHz/8-bit digitizer, and displayed and processed by a PC. A reference signal was recorded to compute the normalized power spectra using Fast Fourier Transformation. An inverse algorithm based on least-squares minimization was used to reconstruct three parameters of the contact lenses: density, thickness, and elastic constants lambda+2micro. The thickness of each sample was verified using an electronic thickness gauge, and the averaged density for each type of lenses was verified using Archimedes' principle and manufacturer's report. Our results demonstrated that the ultrasonic system was able to differentiate the elastic properties of the three types of the soft contact lenses with statistical significance (P-value<0.001). The reconstructed thicknesses and densities agreed well with the independent measurements. Our studies on corneal phantoms indicated that the ultrasonic system was sensitive and accurate in measuring the material properties of cornea-like structures. It is important to optimize the system for in vivo measurements.

3D tomographic reconstruction of the terrestrial exosphere and its time-dependent coupling to the magnetospheric ring current

NASA Astrophysics Data System (ADS)

Waldrop, L.; Cucho-Padin, G.; Ilie, R.

2017-12-01

Charge exchange collisions between ring current ions and hydrogen (H) atoms in the outer exosphere serve to dissipate magnetospheric energy, particularly during the slow recovery phase of geomagnetic storms, through the generation of energetic neutral atoms (ENAs) which escape the system. As a result, knowledge of the spatial distribution and temporal variability of exospheric H density is critical for reliable interpretation of ENA flux measurements as well as for accurate modeling of the ring current. Although numerous theoretical, numerical, and empirical H distributions have been used for such analyses, their reliance on ad hoc or unphysical assumptions, together with their inherently static formulations, is a source of significant uncertainty. Our recent development of a robust tomographic technique for the model-independent estimation of global exospheric H density from optical remote sensing data overcomes the limitations of past analysis and enables an unprecedented investigation of global exospheric and ring current dynamics. Here, we present sample results of our 3D, time-dependent reconstructions of exospheric structure, derived from measurements of resonantly scattered solar Lyman-alpha (121.6 nm) photons acquired by the Lyman-alpha detectors (LADs) onboard NASA's Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) mission. We use the Hot Electron and Ion Drift Integrator (HEIDI) kinetic model of the ring current to investigate the charge exchange interactions between the resulting H density distribution and ring current ions and generate synthetic images of ENA flux for comparison with those measured by TWINS.

Reconstructing cortical current density by exploring sparseness in the transform domain

NASA Astrophysics Data System (ADS)

Ding, Lei

2009-05-01

In the present study, we have developed a novel electromagnetic source imaging approach to reconstruct extended cortical sources by means of cortical current density (CCD) modeling and a novel EEG imaging algorithm which explores sparseness in cortical source representations through the use of L1-norm in objective functions. The new sparse cortical current density (SCCD) imaging algorithm is unique since it reconstructs cortical sources by attaining sparseness in a transform domain (the variation map of cortical source distributions). While large variations are expected to occur along boundaries (sparseness) between active and inactive cortical regions, cortical sources can be reconstructed and their spatial extents can be estimated by locating these boundaries. We studied the SCCD algorithm using numerous simulations to investigate its capability in reconstructing cortical sources with different extents and in reconstructing multiple cortical sources with different extent contrasts. The SCCD algorithm was compared with two L2-norm solutions, i.e. weighted minimum norm estimate (wMNE) and cortical LORETA. Our simulation data from the comparison study show that the proposed sparse source imaging algorithm is able to accurately and efficiently recover extended cortical sources and is promising to provide high-accuracy estimation of cortical source extents.

Polyethylene Ear Reconstruction: A State-of-the-Art Surgical Journey.

PubMed

Reinisch, John; Tahiri, Youssef

2018-02-01

The use of a porous high-density polyethylene implant for ear reconstruction is gradually gaining acceptance because it allows for a pleasing ear reconstruction in young children before they enter school. In response to this growing interest, the authors decided to write an article clarifying in detail all the steps of this challenging procedure. In this article, the authors also answer all the common questions that surgeons have when they come to observe the operation, or when they go back to their respective practices and start performing this procedure. The authors describe in detail the operative steps that allow for a successful ear reconstruction using porous high-density polyethylene. The key parts of this operation are to meticulously harvest a well-vascularized superficial temporoparietal fascia flap and to use appropriate color-matched skin grafts. This method allows for a pleasing ear reconstruction with excellent definition, projection, symmetry, and long-term viability. The use of porous high-density polyethylene with a thin superficial temporoparietal fascia flap coverage is the authors' preferred method of ear reconstruction because it can be performed at an earlier age, in a single stage, as an outpatient procedure, and with minimal discomfort and psychological trauma for the patients and parents.

An iterative three-dimensional electron density imaging algorithm using uncollimated compton scattered x rays from a polyenergetic primary pencil beam.

PubMed

Van Uytven, Eric; Pistorius, Stephen; Gordon, Richard

2007-01-01

X-ray film-screen mammography is currently the gold standard for detecting breast cancer. However, one disadvantage is that it projects a three-dimensional (3D) object onto a two-dimensional (2D) image, reducing contrast between small lesions and layers of normal tissue. Another limitation is its reduced sensitivity in women with mammographically dense breasts. Computed tomography (CT) produces a 3D image yet has had a limited role in mammography due to its relatively high dose, low resolution, and low contrast. As a first step towards implementing quantitative 3D mammography, which may improve the ability to detect and specify breast tumors, we have developed an analytical technique that can use Compton scatter to obtain 3D information of an object from a single projection. Imaging material with a pencil beam of polychromatic x rays produces a characteristic scattered photon spectrum at each point on the detector plane. A comparable distribution may be calculated using a known incident x-ray energy spectrum, beam shape, and an initial estimate of the object's 3D mass attenuation and electron density. Our iterative minimization algorithm changes the initially arbitrary electron density voxel matrix to reduce regular differences between the analytically predicted and experimentally measured spectra at each point on the detector plane. The simulated electron density converges to that of the object as the differences are minimized. The reconstruction algorithm has been validated using simulated data produced by the EGSnrc Monte Carlo code system. We applied the imaging algorithm to a cylindrically symmetric breast tissue phantom containing multiple inhomogeneities. A preliminary ROC analysis scores greater than 0.96, which indicate that under the described simplifying conditions, this approach shows promise in identifying and localizing inhomogeneities which simulate 0.5 mm calcifications with an image voxel resolution of 0.25 cm and at a dose comparable to mammography.

Entwicklungsarbeit am Spurendetektor fur das CDF Experiment am Tevatron (in German/English)

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

Hartmann, Frank

2000-02-01

Silicon, the element, which revolutionized the development of electronics, is known as an important and multiusable material, dominating todays electronic technology. It's properties are well investigated and today well known. Silicon is used in solar cells, computers and telecommunications. Since the Sixties semiconductors have been used as particle detectors. Initially they were operated in fixed- target experiments as calorimeters and as detectors with a high precision track reconstruction. Since the Eighties they are widely used in collider experiments as silicon microstrip or silicon pixel detectors near the primary vertex. Silicon sensors have a very good intrinsic energy resolution: for everymore » 3.6 eV released by a particle crossing the medium, one electron-hole pair is produced. Compared to 30 eV required to ionize a gas molecule in a gaseous detector, one gets 10 times the number of particles. The average energy loss and high ionized particle number with 390 e V / μm ~ 108 (electron - hole pairs)/ μm is effectively high due to the high density of silicon. These detectors allow a high precision reconstruction of tracks, primary and secondary vertices, which are especially important for b flavour tagging. The Tevatron and its detectors are being upgraded for the next data taking run starting in 2001 (RUN II). The Collider Detector at Fermilab (CDF) [2] for the upcoming Run II and its upgraded components are described in chapter 2. The main upgrade project is the design and construction of a completely new inner tracking system.« less

Dictionary Learning on the Manifold of Square Root Densities and Application to Reconstruction of Diffusion Propagator Fields*

PubMed Central

Sun, Jiaqi; Xie, Yuchen; Ye, Wenxing; Ho, Jeffrey; Entezari, Alireza; Blackband, Stephen J.

2013-01-01

In this paper, we present a novel dictionary learning framework for data lying on the manifold of square root densities and apply it to the reconstruction of diffusion propagator (DP) fields given a multi-shell diffusion MRI data set. Unlike most of the existing dictionary learning algorithms which rely on the assumption that the data points are vectors in some Euclidean space, our dictionary learning algorithm is designed to incorporate the intrinsic geometric structure of manifolds and performs better than traditional dictionary learning approaches when applied to data lying on the manifold of square root densities. Non-negativity as well as smoothness across the whole field of the reconstructed DPs is guaranteed in our approach. We demonstrate the advantage of our approach by comparing it with an existing dictionary based reconstruction method on synthetic and real multi-shell MRI data. PMID:24684004

Self-assembled virus-membrane complexes

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

Yang, Lihua; Liang, Hongjun; Angelini, Thomas

Anionic polyelectrolytes and cationic lipid membranes can self-assemble into lamellar structures ranging from alternating layers of membranes and polyelectrolytes to 'missing layer' superlattice structures. We show that these structural differences can be understood in terms of the surface-charge-density mismatch between the polyelectrolyte and membrane components by examining complexes between cationic membranes and highly charged M13 viruses, a system that allowed us to vary the polyelectrolyte diameter independently of the charge density. Such virus-membrane complexes have pore sizes that are about ten times larger in area than DNA-membrane complexes, and can be used to package and organize large functional molecules; correlatedmore » arrays of Ru(bpy){sub 3}{sup 2+} macroionic dyes have been directly observed within the virus-membrane complexes using an electron-density reconstruction. These observations elucidate fundamental design rules for rational control of self-assembled polyelectrolyte-membrane structures, which have applications ranging from non-viral gene therapy to biomolecular templates for nanofabrication.« less

Background oriented schlieren in a density stratified fluid.

PubMed

Verso, Lilly; Liberzon, Alex

2015-10-01

Non-intrusive quantitative fluid density measurement methods are essential in the stratified flow experiments. Digital imaging leads to synthetic schlieren methods in which the variations of the index of refraction are reconstructed computationally. In this study, an extension to one of these methods, called background oriented schlieren, is proposed. The extension enables an accurate reconstruction of the density field in stratified liquid experiments. Typically, the experiments are performed by the light source, background pattern, and the camera positioned on the opposite sides of a transparent vessel. The multimedia imaging through air-glass-water-glass-air leads to an additional aberration that destroys the reconstruction. A two-step calibration and image remapping transform are the key components that correct the images through the stratified media and provide a non-intrusive full-field density measurements of transparent liquids.

Fourier transform magnetic resonance current density imaging (FT-MRCDI) from one component of magnetic flux density.

PubMed

Ider, Yusuf Ziya; Birgul, Ozlem; Oran, Omer Faruk; Arikan, Orhan; Hamamura, Mark J; Muftuler, L Tugan

2010-06-07

Fourier transform (FT)-based algorithms for magnetic resonance current density imaging (MRCDI) from one component of magnetic flux density have been developed for 2D and 3D problems. For 2D problems, where current is confined to the xy-plane and z-component of the magnetic flux density is measured also on the xy-plane inside the object, an iterative FT-MRCDI algorithm is developed by which both the current distribution inside the object and the z-component of the magnetic flux density on the xy-plane outside the object are reconstructed. The method is applied to simulated as well as actual data from phantoms. The effect of measurement error on the spatial resolution of the current density reconstruction is also investigated. For 3D objects an iterative FT-based algorithm is developed whereby the projected current is reconstructed on any slice using as data the Laplacian of the z-component of magnetic flux density measured for that slice. In an injected current MRCDI scenario, the current is not divergence free on the boundary of the object. The method developed in this study also handles this situation.

The Effects of Surface Reconstruction and Electron-Positron Correlation on the Annihilation Characteristics of Positrons Trapped at Semiconductor Surfaces

NASA Astrophysics Data System (ADS)

Fazleev, N. G.; Jung, E.; Weiss, A. H.

2009-03-01

Experimental positron annihilation induced Auger electron spectroscopy (PAES) data from Ge(100) and Ge(111) surfaces display several strong Auger peaks corresponding to M4,5N1N2,3, M2,3M4,5M4,5, M2,3M4,5V, and M1M4,5M4,5 Auger transitions. The integrated peak intensities of Auger transitions have been used to obtain experimental annihilation probabilities for the Ge 3d and 3p core electrons. The experimental data were analyzed by performing theoretical studies of the effects of surface reconstructions and electron-positron correlations on image potential induced surface states and annihilation characteristics of positrons trapped at the reconstructed Ge(100) and Ge(111) surfaces. Calculations of positron surface states and annihilation characteristics have been performed for Ge(100) surface with (2×1), (2×2), and (4×2) reconstructions, and for Ge(111) surface with c(2×8) reconstruction. Estimates of the positron binding energy and annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of the semiconductor and to the approximations used to describe electron-positron correlations. The results of these theoretical studies are compared with the ones obtained for the reconstructed Si(100)-(2×1) and Si(111)-(7×7) surfaces.

Anisotropic conductivity imaging with MREIT using equipotential projection algorithm.

PubMed

Değirmenci, Evren; Eyüboğlu, B Murat

2007-12-21

Magnetic resonance electrical impedance tomography (MREIT) combines magnetic flux or current density measurements obtained by magnetic resonance imaging (MRI) and surface potential measurements to reconstruct images of true conductivity with high spatial resolution. Most of the biological tissues have anisotropic conductivity; therefore, anisotropy should be taken into account in conductivity image reconstruction. Almost all of the MREIT reconstruction algorithms proposed to date assume isotropic conductivity distribution. In this study, a novel MREIT image reconstruction algorithm is proposed to image anisotropic conductivity. Relative anisotropic conductivity values are reconstructed iteratively, using only current density measurements without any potential measurement. In order to obtain true conductivity values, only either one potential or conductivity measurement is sufficient to determine a scaling factor. The proposed technique is evaluated on simulated data for isotropic and anisotropic conductivity distributions, with and without measurement noise. Simulation results show that the images of both anisotropic and isotropic conductivity distributions can be reconstructed successfully.

Real-time feedback control of the plasma density profile on ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Mlynek, A.; Reich, M.; Giannone, L.; Treutterer, W.; Behler, K.; Blank, H.; Buhler, A.; Cole, R.; Eixenberger, H.; Fischer, R.; Lohs, A.; Lüddecke, K.; Merkel, R.; Neu, G.; Ryter, F.; Zasche, D.; ASDEX Upgrade Team

2011-04-01

The spatial distribution of density in a fusion experiment is of significant importance as it enters in numerous analyses and contributes to the fusion performance. The reconstruction of the density profile is therefore commonly done in offline data analysis. In this paper, we present an algorithm which allows for density profile reconstruction from the data of the submillimetre interferometer and the magnetic equilibrium in real-time. We compare the obtained results to the profiles yielded by a numerically more complex offline algorithm. Furthermore, we present recent ASDEX Upgrade experiments in which we used the real-time density profile for active feedback control of the shape of the density profile.

Evolution of electronic states in n-type copper oxide superconductor via electric double layer gating

NASA Astrophysics Data System (ADS)

Jin, Kui; Hu, Wei; Zhu, Beiyi; Kim, Dohun; Yuan, Jie; Sun, Yujie; Xiang, Tao; Fuhrer, Michael S.; Takeuchi, Ichiro; Greene, Richard. L.

2016-05-01

The occurrence of electrons and holes in n-type copper oxides has been achieved by chemical doping, pressure, and/or deoxygenation. However, the observed electronic properties are blurred by the concomitant effects such as change of lattice structure, disorder, etc. Here, we report on successful tuning the electronic band structure of n-type Pr2-xCexCuO4 (x = 0.15) ultrathin films, via the electric double layer transistor technique. Abnormal transport properties, such as multiple sign reversals of Hall resistivity in normal and mixed states, have been revealed within an electrostatic field in range of -2 V to + 2 V, as well as varying the temperature and magnetic field. In the mixed state, the intrinsic anomalous Hall conductivity invokes the contribution of both electron and hole-bands as well as the energy dependent density of states near the Fermi level. The two-band model can also describe the normal state transport properties well, whereas the carrier concentrations of electrons and holes are always enhanced or depressed simultaneously in electric fields. This is in contrast to the scenario of Fermi surface reconstruction by antiferromagnetism, where an anti-correlation is commonly expected.

Iterative Reconstruction of Volumetric Particle Distribution for 3D Velocimetry

NASA Astrophysics Data System (ADS)

Wieneke, Bernhard; Neal, Douglas

2011-11-01

A number of different volumetric flow measurement techniques exist for following the motion of illuminated particles. For experiments that have lower seeding densities, 3D-PTV uses recorded images from typically 3-4 cameras and then tracks the individual particles in space and time. This technique is effective in flows that have lower seeding densities. For flows that have a higher seeding density, tomographic PIV uses a tomographic reconstruction algorithm (e.g. MART) to reconstruct voxel intensities of the recorded volume followed by the cross-correlation of subvolumes to provide the instantaneous 3D vector fields on a regular grid. A new hybrid algorithm is presented which iteratively reconstructs the 3D-particle distribution directly using particles with certain imaging properties instead of voxels as base functions. It is shown with synthetic data that this method is capable of reconstructing densely seeded flows up to 0.05 particles per pixel (ppp) with the same or higher accuracy than 3D-PTV and tomographic PIV. Finally, this new method is validated using experimental data on a turbulent jet.

Preserving half-metallic surface states in Cr O2 : Insights into surface reconstruction rules

NASA Astrophysics Data System (ADS)

Deng, Bei; Shi, X. Q.; Chen, L.; Tong, S. Y.

2018-04-01

The issue of whether the half-metallic (HM) nature of Cr O2 could be retained at its surface has been a standing problem under debate for a few decades, but until now is still controversial. Here, based on the density functional theory calculations we show, in startling contrast to the previous theoretical understandings, that the surfaces of Cr O2 favorably exhibit a half-metallic-semiconducting (SmC) transition driven by means of a surface electronic reconstruction largely attributed to the participation of the unexpected local charge carriers (LCCs), which convert the HM double exchange surface state into a SmC superexchange state and in turn, stabilize the surface as well. On the basis of the LCCs model, a new insight into the surface reconstruction rules is attained. Our novel finding not only provided an evident interpretation for the widely observed SmC character of Cr O2 surface, but also offered a novel means to improve the HM surface states for a variety of applications in spintronics and superconductors, and promote the experimental realization of the quantum anomalous Hall effect in half-metal based systems.

Low-latitude Ionospheric Research using the CIRCE Mission

NASA Astrophysics Data System (ADS)

Dymond, K.; Nicholas, A. C.; Budzien, S. A.; Stephan, A. W.

2016-12-01

The Coordinated Ionospheric Reconstruction Cubesat Experiment (CIRCE) is a dual-satellite mission consisting of two 6U CubeSats actively maintaining a lead-follow configuration in the same orbit with a launch planned for the 2018-2019 time frame. These nano-satellites will each feature two 1U ultraviolet photometers, observing the 135.6 nm emission of atomic oxygen at nighttime. The primary objective is to characterize the two-dimensional distribution of electrons in the Equatorial Ionization Anomaly (EIA). The methodology used to reconstruct the nighttime ionosphere employs continuous UV photometry from four distinct viewing angles in combination with an additional data source, such as in situ plasma density measurements or a wide-band beacon data, with advanced image space reconstruction algorithm tomography techniques. The COSMIC/FORMOSAT-3 (CF3) constellation featured six Tiny Ionospheric Photometers, a compact UV sensor design which served as the pathfinder for the CIRCE instruments. The TIP instruments on the CF3 satellites demonstrated detection of ionospheric bubbles before they had penetrated the peak of the F-region ionosphere. We present our mission concept, simulations illustrating the imaging capability of the sensor suite, and a range of science questions addressable using such a system.

Electronic structure studies of a clock-reconstructed Al/Pd(1 0 0) surface alloy

NASA Astrophysics Data System (ADS)

Kirsch, Janet E.; Tainter, Craig J.

We have employed solid-state Fenske-Hall band structure calculations to examine the electronic structure of Al/Pd(1 0 0), a surface alloy that undergoes a reconstruction, or rearrangement, of the atoms in the top few surface layers. Surface alloys are materials that consist primarily of a single elemental metal, but which have a bimetallic surface composition that is only a few atomic layers in thickness. The results of this study indicate that reconstruction into a clock configuration simultaneously optimizes the intralayer bonding within the surface plane and the bonding between the first and second atomic layers. These results also allow us to examine the fundamental relationship between the electronic and physical structures of this reconstructed surface alloy.

Electrons for Neutrinos: Using Electron Scattering to Develop New Energy Reconstruction for Future Deuterium-Based Neutrino Detectors

NASA Astrophysics Data System (ADS)

Silva, Adrian; Schmookler, Barak; Papadopoulou, Afroditi; Schmidt, Axel; Hen, Or; Khachatryan, Mariana; Weinstein, Lawrence

2017-09-01

Using wide phase-space electron scattering data, we study a novel technique for neutrino energy reconstruction for future neutrino oscillation experiments. Accelerator-based neutrino oscillation experiments require detailed understanding of neutrino-nucleus interactions, which are complicated by the underlying nuclear physics that governs the process. One area of concern is that neutrino energy must be reconstructed event-by-event from the final-state kinematics. In charged-current quasielastic scattering, Fermi motion of nucleons prevents exact energy reconstruction. However, in scattering from deuterium, the momentum of the electron and proton constrain the neutrino energy exactly, offering a new avenue for reducing systematic uncertainties. To test this approach, we analyzed d (e ,e' p) data taken with the CLAS detector at Jefferson Lab Hall B and made kinematic selection cuts to obtain quasielastic events. We estimated the remaining inelastic background by using d (e ,e' pπ-) events to produce a simulated dataset of events with an undetected π-. These results demonstrate the feasibility of energy reconstruction in a hypothetical future deuterium-based neutrino detector. Supported by the Paul E. Gray UROP Fund, MIT.

Performance of electron reconstruction and selection with the CMS detector in proton-proton collisions at √s = 8  TeV

DOE PAGES

Khachatryan, V.

2015-06-10

The performance and strategies used in electron reconstruction and selection at CMS are presented based on data corresponding to an integrated luminosity of 19.7 fb -1, collected in proton-proton collisions at √s = 8 TeV at the CERN LHC. The paper focuses on prompt isolated electrons with transverse momenta ranging from about 5 to a few 100 GeV. A detailed description is given of the algorithms used to cluster energy in the electromagnetic calorimeter and to reconstruct electron trajectories in the tracker. The electron momentum is estimated by combining the energy measurement in the calorimeter with the momentum measurement inmore » the tracker. Benchmark selection criteria are presented, and their performances assessed using Z, Υ, and J/ψ decays into e ++ e - pairs. The spectra of the observables relevant to electron reconstruction and selection as well as their global efficiencies are well reproduced by Monte Carlo simulations. The momentum scale is calibrated with an uncertainty smaller than 0.3%. The momentum resolution for electrons produced in Z boson decays ranges from 1.7 to 4.5%, depending on electron pseudorapidity and energy loss through bremsstrahlung in the detector material.« less

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.

Effects of refractive index mismatch in optical CT imaging of polymer gel dosimeters.

PubMed

Manjappa, Rakesh; Makki S, Sharath; Kumar, Rajesh; Kanhirodan, Rajan

2015-02-01

Proposing an image reconstruction technique, algebraic reconstruction technique-refraction correction (ART-rc). The proposed method takes care of refractive index mismatches present in gel dosimeter scanner at the boundary, and also corrects for the interior ray refraction. Polymer gel dosimeters with high dose regions have higher refractive index and optical density compared to the background medium, these changes in refractive index at high dose results in interior ray bending. The inclusion of the effects of refraction is an important step in reconstruction of optical density in gel dosimeters. The proposed ray tracing algorithm models the interior multiple refraction at the inhomogeneities. Jacob's ray tracing algorithm has been modified to calculate the pathlengths of the ray that traverses through the higher dose regions. The algorithm computes the length of the ray in each pixel along its path and is used as the weight matrix. Algebraic reconstruction technique and pixel based reconstruction algorithms are used for solving the reconstruction problem. The proposed method is tested with numerical phantoms for various noise levels. The experimental dosimetric results are also presented. The results show that the proposed scheme ART-rc is able to reconstruct optical density inside the dosimeter better than the results obtained using filtered backprojection and conventional algebraic reconstruction approaches. The quantitative improvement using ART-rc is evaluated using gamma-index. The refraction errors due to regions of different refractive indices are discussed. The effects of modeling of interior refraction in the dose region are presented. The errors propagated due to multiple refraction effects have been modeled and the improvements in reconstruction using proposed model is presented. The refractive index of the dosimeter has a mismatch with the surrounding medium (for dry air or water scanning). The algorithm reconstructs the dose profiles by estimating refractive indices of multiple inhomogeneities having different refractive indices and optical densities embedded in the dosimeter. This is achieved by tracking the path of the ray that traverses through the dosimeter. Extensive simulation studies have been carried out and results are found to be matching that of experimental results.

Effects of refractive index mismatch in optical CT imaging of polymer gel dosimeters

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

Manjappa, Rakesh; Makki S, Sharath; Kanhirodan, Rajan, E-mail: rajan@physics.iisc.ernet.in

2015-02-15

Purpose: Proposing an image reconstruction technique, algebraic reconstruction technique-refraction correction (ART-rc). The proposed method takes care of refractive index mismatches present in gel dosimeter scanner at the boundary, and also corrects for the interior ray refraction. Polymer gel dosimeters with high dose regions have higher refractive index and optical density compared to the background medium, these changes in refractive index at high dose results in interior ray bending. Methods: The inclusion of the effects of refraction is an important step in reconstruction of optical density in gel dosimeters. The proposed ray tracing algorithm models the interior multiple refraction at themore » inhomogeneities. Jacob’s ray tracing algorithm has been modified to calculate the pathlengths of the ray that traverses through the higher dose regions. The algorithm computes the length of the ray in each pixel along its path and is used as the weight matrix. Algebraic reconstruction technique and pixel based reconstruction algorithms are used for solving the reconstruction problem. The proposed method is tested with numerical phantoms for various noise levels. The experimental dosimetric results are also presented. Results: The results show that the proposed scheme ART-rc is able to reconstruct optical density inside the dosimeter better than the results obtained using filtered backprojection and conventional algebraic reconstruction approaches. The quantitative improvement using ART-rc is evaluated using gamma-index. The refraction errors due to regions of different refractive indices are discussed. The effects of modeling of interior refraction in the dose region are presented. Conclusions: The errors propagated due to multiple refraction effects have been modeled and the improvements in reconstruction using proposed model is presented. The refractive index of the dosimeter has a mismatch with the surrounding medium (for dry air or water scanning). The algorithm reconstructs the dose profiles by estimating refractive indices of multiple inhomogeneities having different refractive indices and optical densities embedded in the dosimeter. This is achieved by tracking the path of the ray that traverses through the dosimeter. Extensive simulation studies have been carried out and results are found to be matching that of experimental results.« less

TU-FG-BRB-03: Basis Vector Model Based Method for Proton Stopping Power Estimation From Experimental Dual Energy CT Data

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

Zhang, S; Politte, D; O’Sullivan, J

2016-06-15

Purpose: This work aims at reducing the uncertainty in proton stopping power (SP) estimation by a novel combination of a linear, separable basis vector model (BVM) for stopping power calculation (Med Phys 43:600) and a statistical, model-based dual-energy CT (DECT) image reconstruction algorithm (TMI 35:685). The method was applied to experimental data. Methods: BVM assumes the photon attenuation coefficients, electron densities, and mean excitation energies (I-values) of unknown materials can be approximated by a combination of the corresponding quantities of two reference materials. The DECT projection data for a phantom with 5 different known materials was collected on a Philipsmore » Brilliance scanner using two scans at 90 kVp and 140 kVp. The line integral alternating minimization (LIAM) algorithm was used to recover the two BVM coefficient images using the measured source spectra. The proton stopping powers are then estimated from the Bethe-Bloch equation using electron densities and I-values derived from the BVM coefficients. The proton stopping powers and proton ranges for the phantom materials estimated via our BVM based DECT method are compared to ICRU reference values and a post-processing DECT analysis (Yang PMB 55:1343) applied to vendorreconstructed images using the Torikoshi parametric fit model (tPFM). Results: For the phantom materials, the average stopping power estimations for 175 MeV protons derived from our method are within 1% of the ICRU reference values (except for Teflon with a 1.48% error), with an average standard deviation of 0.46% over pixels. The resultant proton ranges agree with the reference values within 2 mm. Conclusion: Our principled DECT iterative reconstruction algorithm, incorporating optimal beam hardening and scatter corrections, in conjunction with a simple linear BVM model, achieves more accurate and robust proton stopping power maps than the post-processing, nonlinear tPFM based DECT analysis applied to conventional reconstructions of low and high energy scans. Funding Support: NIH R01CA 75371; NCI grant R01 CA 149305.« less

Fullerene/layered antiferromagnetic reconstructed spinterface: Subsurface layer dominates molecular orbitals' spin-split and large induced magnetic moment

NASA Astrophysics Data System (ADS)

Shao, Yangfan; Pang, Rui; Pan, Hui; Shi, Xingqiang

2018-03-01

The interfaces between organic molecules and magnetic metals have gained increasing interest for both fundamental reasons and applications. Among them, the C60/layered antiferromagnetic (AFM) interfaces have been studied only for C60 bonded to the outermost ferromagnetic layer [S. L. Kawahara et al., Nano Lett. 12, 4558 (2012) and D. Li et al., Phys. Rev. B 93, 085425 (2016)]. Here, via density functional theory calculations combined with evidence from the literature, we demonstrate that C60 adsorption can reconstruct the layered-AFM Cr(001) surface at elevated annealing temperatures so that C60 bonds to both the outermost and the subsurface Cr layers in opposite spin directions. Surface reconstruction drastically changes the adsorbed molecule spintronic properties: (1) the spin-split p-d hybridization involves multi-orbitals of C60 and top two layers of Cr with opposite spin-polarization, (2) the subsurface Cr atom dominates the C60 electronic properties, and (3) the reconstruction induces a large magnetic moment of 0.58 μB in C60 as a synergistic effect of the top two Cr layers. The induced magnetic moment in C60 can be explained by the magnetic direct-exchange mechanism, which can be generalized to other C60/magnetic metal systems. Understanding these complex hybridization behaviors is a crucial step for molecular spintronic applications.

Atomic Mechanism of Hybridization-Dependent Surface Reconstruction with Tailored Functionality in Hexagonal Multiferroics.

PubMed

Deng, Shiqing; Cheng, Shaobo; Xu, Changsong; Ge, Binghui; Sun, Xuefeng; Yu, Rong; Duan, Wenhui; Zhu, Jing

2017-08-16

The broken symmetry along with anomalous defect structures and charging conditions at multiferroics surface can alter both crystal structures and electronic configurations, bringing in emergent physical properties. Extraordinary surface states are induced into original mutually coupled order parameters in such strongly correlated oxides, which flourish in diverse properties but remain less explored. Here, we report the peculiar surface ferroelectric states and reconfigurable functionalities driven by the relaxation of surface and consequent changes in O 2p and Y 4d orbital (p-d) hybridization within a representative hexagonal multiferroics, YMnO 3 . An unprecedented surface reconstruction is achieved by tailored p-d hybridization coupling with in-plane oxygen vacancies, which is atomically revealed on the basis of the advantages of state-of-the-art aberration-corrected (scanning) transmission electron microscopy. Further ab initio density functional theory calculations verify the key roles of in-plane oxygen vacancies in modulating polarization properties and electronic structure, which should be regarded as the atomic multiferroic element. This surface configuration is found to induce tunable functionalities, such as surface ferromagnetism and conductivity. Meanwhile, the controversial origin of improper ferroelectricity that is unexpectedly free from critical size has also been atomically unraveled. Our findings provide new insights into the design and implementation of surface chemistry devices by simply controlling the oxygen stoichiometry, greatly advance our understandings of surface science in strongly correlated oxides, and enable exciting innovations and new technological functionality paradigms.

High-resolution coherent x-ray diffraction imaging of metal-coated polymer microspheres.

PubMed

Skjønsfjell, Eirik T B; Kleiven, David; Patil, Nilesh; Chushkin, Yuriy; Zontone, Federico; Gibaud, Alain; Breiby, Dag W

2018-01-01

Coherent x-ray diffraction imaging (CXDI) is becoming an important 3D quantitative microscopy technique, allowing structural investigation of a wide range of delicate mesoscale samples that cannot be imaged by other techniques like electron microscopy. Here we report high-resolution 3D CXDI performed on spherical microcomposites consisting of a polymer core coated with a triple layer of nickel-gold-silica. These composites are of high interest to the microelectronics industry, where they are applied in conducting adhesives as fine-pitch electrical contacts-which requires an exceptional degree of uniformity and reproducibility. Experimental techniques that can assess the state of the composites non-destructively, preferably also while embedded in electronic chips, are thus in high demand. We demonstrate that using CXDI, all four different material components of the composite could be identified, with radii matching well to the nominal specifications of the manufacturer. Moreover, CXDI provided detailed maps of layer thicknesses, roughnesses, and defects such as holes, thus also facilitating cross-layer correlations. The side length of the voxels in the reconstruction, given by the experimental geometry, was 16 nm. The effective resolution enabled resolving even the thinnest coating layer of ∼20  nm nominal width. We discuss critically the influence of the weak phase approximation and the projection approximation on the reconstructed electron density estimates, demonstrating that the latter has to be employed. We conclude that CXDI has excellent potential as a metrology tool for microscale composites.

Optical tomography for flow visualization of the density field around a revolving helicopter rotor blade

NASA Technical Reports Server (NTRS)

Snyder, R.; Hesselink, L.

1984-01-01

In this paper, a tomographic procedure for reconstructing the density field around a helicopter rotor blade tip from remote optical line-of-sight measurements is discussed. Numerical model studies have been carried out to investigate the influence of the number of available views, limited width viewing, and ray bending on the reconstruction. Performance is measured in terms of the mean-square error. It is found that very good reconstructions can be obtained using only a small number of views even when the width of view is smaller than the spatial extent of the object. An iterative procedure is used to correct for ray bending due to refraction associated with the sharp density gradients (shocks).

Image reconstruction of muon tomographic data using a density-based clustering method

NASA Astrophysics Data System (ADS)

Perry, Kimberly B.

Muons are subatomic particles capable of reaching the Earth's surface before decaying. When these particles collide with an object that has a high atomic number (Z), their path of travel changes substantially. Tracking muon movement through shielded containers can indicate what types of materials lie inside. This thesis proposes using a density-based clustering algorithm called OPTICS to perform image reconstructions using muon tomographic data. The results show that this method is capable of detecting high-Z materials quickly, and can also produce detailed reconstructions with large amounts of data.

Quantitative Imaging of Single Unstained Magnetotactic Bacteria by Coherent X-ray Diffraction Microscopy.

PubMed

Fan, Jiadong; Sun, Zhibin; Zhang, Jian; Huang, Qingjie; Yao, Shengkun; Zong, Yunbing; Kohmura, Yoshiki; Ishikawa, Tetsuya; Liu, Hong; Jiang, Huaidong

2015-06-16

Novel coherent diffraction microscopy provides a powerful lensless imaging method to obtain a better understanding of the microorganism at the nanoscale. Here we demonstrated quantitative imaging of intact unstained magnetotactic bacteria using coherent X-ray diffraction microscopy combined with an iterative phase retrieval algorithm. Although the signal-to-noise ratio of the X-ray diffraction pattern from single magnetotactic bacterium is weak due to low-scattering ability of biomaterials, an 18.6 nm half-period resolution of reconstructed image was achieved by using a hybrid input-output phase retrieval algorithm. On the basis of the quantitative reconstructed images, the morphology and some intracellular structures, such as nucleoid, polyβ-hydroxybutyrate granules, and magnetosomes, were identified, which were also confirmed by scanning electron microscopy and energy dispersive spectroscopy. With the benefit from the quantifiability of coherent diffraction imaging, for the first time to our knowledge, an average density of magnetotactic bacteria was calculated to be ∼1.19 g/cm(3). This technique has a wide range of applications, especially in quantitative imaging of low-scattering biomaterials and multicomponent materials at nanoscale resolution. Combined with the cryogenic technique or X-ray free electron lasers, the method could image cells in a hydrated condition, which helps to maintain their natural structure.

Modeling the Quiet Time Outflow Solution in the Polar Cap

NASA Technical Reports Server (NTRS)

Glocer, Alex

2011-01-01

We use the Polar Wind Outflow Model (PWOM) to study the geomagnetically quiet conditions in the polar cap during solar maximum, The PWOM solves the gyrotropic transport equations for O(+), H(+), and He(+) along several magnetic field lines in the polar region in order to reconstruct the full 3D solution. We directly compare our simulation results to the data based empirical model of Kitamura et al. [2011] of electron density, which is based on 63 months of Akebono satellite observations. The modeled ion and electron temperatures are also compared with a statistical compilation of quiet time data obtained by the EISCAT Svalbard Radar (ESR) and Intercosmos Satellites (Kitamura et al. [2011]). The data and model agree reasonably well. This study shows that photoelectrons play an important role in explaining the differences between sunlit and dark results, ion composition, as well as ion and electron temperatures of the quiet time polar wind solution. Moreover, these results provide validation of the PWOM's ability to model the quiet time ((background" solution.

Cryo-transmission electron tomography of native casein micelles from bovine milk

PubMed Central

Trejo, R.; Dokland, T.; Jurat-Fuentes, J.; Harte, F.

2013-01-01

Caseins are the principal protein components in milk and an important ingredient in the food industry. In liquid milk, caseins are found as micelles of casein proteins and colloidal calcium nanoclusters. Casein micelles were isolated from raw skim milk by size exclusion chromatography and suspended in milk protein-free serum produced by ultrafiltration (molecular weight cut-off of 3 kDa) of raw skim milk. The micelles were imaged by cryo-electron microscopy and subjected to tomographic reconstruction methods to visualize the 3-dimensional and internal organization of native casein micelles. This provided new insights into the internal architecture of the casein micelle that had not been apparent from prior cryo-transmission electron microscopy studies. This analysis demonstrated the presence of water-filled cavities (~20 to 30 nm in diameter), channels (diameter greater than ~5 nm), and several hundred high-density nanoclusters (6 to 12 nm in diameter) within the interior of the micelles. No spherical protein submicellar structures were observed. PMID:22118067

Three-dimensional structural dynamics of DNA origami Bennett linkages using individual-particle electron tomography

DOE PAGES

Lei, Dongsheng; Marras, Alexander E.; Liu, Jianfang; ...

2018-02-09

Scaffolded DNA origami has proven to be a powerful and efficient technique to fabricate functional nanomachines by programming the folding of a single-stranded DNA template strand into three-dimensional (3D) nanostructures, designed to be precisely motion-controlled. Although two-dimensional (2D) imaging of DNA nanomachines using transmission electron microscopy and atomic force microscopy suggested these nanomachines are dynamic in 3D, geometric analysis based on 2D imaging was insufficient to uncover the exact motion in 3D. In this paper, we use the individual-particle electron tomography method and reconstruct 129 density maps from 129 individual DNA origami Bennett linkage mechanisms at ~6-14 nm resolution. The statisticalmore » analyses of these conformations lead to understanding the 3D structural dynamics of Bennett linkage mechanisms. Moreover, our effort provides experimental verification of a theoretical kinematics model of DNA origami, which can be used as feedback to improve the design and control of motion via optimized DNA sequences and routing.« less

Three-dimensional structural dynamics of DNA origami Bennett linkages using individual-particle electron tomography

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

Lei, Dongsheng; Marras, Alexander E.; Liu, Jianfang

Scaffolded DNA origami has proven to be a powerful and efficient technique to fabricate functional nanomachines by programming the folding of a single-stranded DNA template strand into three-dimensional (3D) nanostructures, designed to be precisely motion-controlled. Although two-dimensional (2D) imaging of DNA nanomachines using transmission electron microscopy and atomic force microscopy suggested these nanomachines are dynamic in 3D, geometric analysis based on 2D imaging was insufficient to uncover the exact motion in 3D. In this paper, we use the individual-particle electron tomography method and reconstruct 129 density maps from 129 individual DNA origami Bennett linkage mechanisms at ~6-14 nm resolution. The statisticalmore » analyses of these conformations lead to understanding the 3D structural dynamics of Bennett linkage mechanisms. Moreover, our effort provides experimental verification of a theoretical kinematics model of DNA origami, which can be used as feedback to improve the design and control of motion via optimized DNA sequences and routing.« less

Electronic, structural and chemical properties of GaAs/ZnSe heterovalent interfaces as dependent on MBE growth conditions and ex situ annealing

NASA Astrophysics Data System (ADS)

Komissarova, T. A.; Lebedev, M. V.; Sorokin, S. V.; Klimko, G. V.; Sedova, I. V.; Gronin, S. V.; Komissarov, K. A.; Calvet, W.; Drozdov, M. N.; Ivanov, S. V.

2017-04-01

A study of electronic, structural and chemical properties of GaAs/ZnSe heterovalent interfaces (HI) in dependence on molecular beam epitaxy (MBE) growth conditions and post-growth annealing was performed. Initial GaAs surface reconstructions ((2 × 4)As or c(4 × 4)As) and ZnSe growth mode (MBE or migration-enhanced epitaxy (MEE)) were varied for different undoped and n-doped heterovalent structures. Although all the structures have low extended defect density (less than 106 cm-2) and rather small (less than 5 nm) atomic interdiffusion at the HI, the structural, chemical and electronic properties of the near-interface area (short-distance interdiffusion effects, dominant chemical bonds, and valence band offset values) as well as electrical properties of the n-GaAs/n-ZnSe heterovalent structures were found to be influenced strongly by the MBE growth conditions and post-growth annealing.

Features of the electronic structure of FeTe compounds

NASA Astrophysics Data System (ADS)

Grechnev, G. E.; Lyogenkaya, A. A.; Panfilov, A. S.; Logosha, A. V.; Kotlyar, O. V.; Gnezdilov, V. P.; Makarova, I. P.; Chareev, D. A.; Mitrofanova, E. S.

2015-12-01

A theoretical and experimental study of the electronic structure and nature of the chemical bonds in FeTe compounds in antiferromagnetic (AFM) and paramagnetic phases was carried out. It is established that the nature of the chemical bonds is mainly metallic, and the presence of covalent bonds Fe-Te and Te-Te helps to stabilize the structural distortions of the tetragonal phase of FeTe in the low-temperature region. It is found that the bicollinear AFM structure corresponds to the ground state of the FeTe compound and the calculated value of the magnetic moment MFe = -2.4μB is in good agreement with the data from neutron diffraction measurements. At the same time, the Fermi surface (FS) of the low-temperature AFM phase is radically different from the FS of the paramagnetic FeTe. Reconstructing the FS can lead to a sign change of the Hall coefficient observed in FeTe. The calculation results serve as evidence of the fact that the electronic structures and magnetic properties of FeTe are well-described by the model of itinerant d-electrons and the density functional theory (DFT-GGA).

Three-dimensional cryoEM reconstruction of native LDL particles to 16Å resolution at physiological body temperature.

PubMed

Kumar, Vibhor; Butcher, Sarah J; Öörni, Katariina; Engelhardt, Peter; Heikkonen, Jukka; Kaski, Kimmo; Ala-Korpela, Mika; Kovanen, Petri T

2011-05-09

Low-density lipoprotein (LDL) particles, the major carriers of cholesterol in the human circulation, have a key role in cholesterol physiology and in the development of atherosclerosis. The most prominent structural components in LDL are the core-forming cholesteryl esters (CE) and the particle-encircling single copy of a huge, non-exchangeable protein, the apolipoprotein B-100 (apoB-100). The shape of native LDL particles and the conformation of native apoB-100 on the particles remain incompletely characterized at the physiological human body temperature (37 °C). To study native LDL particles, we applied cryo-electron microscopy to calculate 3D reconstructions of LDL particles in their hydrated state. Images of the particles vitrified at 6 °C and 37 °C resulted in reconstructions at ~16 Å resolution at both temperatures. 3D variance map analysis revealed rigid and flexible domains of lipids and apoB-100 at both temperatures. The reconstructions showed less variability at 6 °C than at 37 °C, which reflected increased order of the core CE molecules, rather than decreased mobility of the apoB-100. Compact molecular packing of the core and order in a lipid-binding domain of apoB-100 were observed at 6 °C, but not at 37 °C. At 37 °C we were able to highlight features in the LDL particles that are not clearly separable in 3D maps at 6 °C. Segmentation of apoB-100 density, fitting of lipovitellin X-ray structure, and antibody mapping, jointly revealed the approximate locations of the individual domains of apoB-100 on the surface of native LDL particles. Our study provides molecular background for further understanding of the link between structure and function of native LDL particles at physiological body temperature.

3D reconstruction of the magnetic vector potential using model based iterative reconstruction

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

Prabhat, K. C.; Aditya Mohan, K.; Phatak, Charudatta

Lorentz transmission electron microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector field electron tomography (VFET) can be used to reconstruct electromagnetic potentials of the nanoparticles from their corresponding LTEM images. The VFET approach is based on the conventional filtered back projection approach to tomographic reconstructions and the availability of an incomplete set of measurements due to experimental limitations means that the reconstructed vector fields exhibit significant artifacts. In this paper, we outline a model-based iterative reconstruction (MBIR) algorithm to reconstruct the magnetic vector potential of magnetic nanoparticles. We combine a forward model formore » image formation in TEM experiments with a prior model to formulate the tomographic problem as a maximum a-posteriori probability estimation problem (MAP). The MAP cost function is minimized iteratively to determine the vector potential. Here, a comparative reconstruction study of simulated as well as experimental data sets show that the MBIR approach yields quantifiably better reconstructions than the VFET approach.« less

3D reconstruction of the magnetic vector potential using model based iterative reconstruction.

PubMed

Prabhat, K C; Aditya Mohan, K; Phatak, Charudatta; Bouman, Charles; De Graef, Marc

2017-11-01

Lorentz transmission electron microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector field electron tomography (VFET) can be used to reconstruct electromagnetic potentials of the nanoparticles from their corresponding LTEM images. The VFET approach is based on the conventional filtered back projection approach to tomographic reconstructions and the availability of an incomplete set of measurements due to experimental limitations means that the reconstructed vector fields exhibit significant artifacts. In this paper, we outline a model-based iterative reconstruction (MBIR) algorithm to reconstruct the magnetic vector potential of magnetic nanoparticles. We combine a forward model for image formation in TEM experiments with a prior model to formulate the tomographic problem as a maximum a-posteriori probability estimation problem (MAP). The MAP cost function is minimized iteratively to determine the vector potential. A comparative reconstruction study of simulated as well as experimental data sets show that the MBIR approach yields quantifiably better reconstructions than the VFET approach. Copyright © 2017 Elsevier B.V. All rights reserved.

3D reconstruction of the magnetic vector potential using model based iterative reconstruction

DOE PAGES

Prabhat, K. C.; Aditya Mohan, K.; Phatak, Charudatta; ...

2017-07-03

Lorentz transmission electron microscopy (TEM) observations of magnetic nanoparticles contain information on the magnetic and electrostatic potentials. Vector field electron tomography (VFET) can be used to reconstruct electromagnetic potentials of the nanoparticles from their corresponding LTEM images. The VFET approach is based on the conventional filtered back projection approach to tomographic reconstructions and the availability of an incomplete set of measurements due to experimental limitations means that the reconstructed vector fields exhibit significant artifacts. In this paper, we outline a model-based iterative reconstruction (MBIR) algorithm to reconstruct the magnetic vector potential of magnetic nanoparticles. We combine a forward model formore » image formation in TEM experiments with a prior model to formulate the tomographic problem as a maximum a-posteriori probability estimation problem (MAP). The MAP cost function is minimized iteratively to determine the vector potential. Here, a comparative reconstruction study of simulated as well as experimental data sets show that the MBIR approach yields quantifiably better reconstructions than the VFET approach.« less

SU-F-J-74: High Z Geometric Integrity and Beam Hardening Artifact Assessment Using a Retrospective Metal Artifact Reduction (MAR) Reconstruction Algorithm

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

Woods, K; DiCostanzo, D; Gupta, N

Purpose: To test the efficacy of a retrospective metal artifact reduction (MAR) reconstruction algorithm for a commercial computed tomography (CT) scanner for radiation therapy purposes. Methods: High Z geometric integrity and artifact reduction analysis was performed with three phantoms using General Electric’s (GE) Discovery CT. The three phantoms included: a Computerized Imaging Reference Systems (CIRS) electron density phantom (Model 062) with a 6.5 mm diameter titanium rod insert, a custom spine phantom using Synthes Spine hardware submerged in water, and a dental phantom with various high Z fillings submerged in water. Each phantom was reconstructed using MAR and compared againstmore » the original scan. Furthermore, each scenario was tested using standard and extended Hounsfield Unit (HU) ranges. High Z geometric integrity was performed using the CIRS phantom, while the artifact reduction was performed using all three phantoms. Results: Geometric integrity of the 6.5 mm diameter rod was slightly overestimated for non-MAR scans for both standard and extended HU. With MAR reconstruction, the rod was underestimated for both standard and extended HU. For artifact reduction, the mean and standard deviation was compared in a volume of interest (VOI) in the surrounding material (water and water equivalent material, ∼0HU). Overall, the mean value of the VOI was closer to 0 HU for the MAR reconstruction compared to the non-MAR scan for most phantoms. Additionally, the standard deviations for all phantoms were greatly reduced using MAR reconstruction. Conclusion: GE’s MAR reconstruction algorithm improves image quality with the presence of high Z material with minimal degradation of its geometric integrity. High Z delineation can be carried out with proper contouring techniques. The effects of beam hardening artifacts are greatly reduced with MAR reconstruction. Tissue corrections due to these artifacts can be eliminated for simple high Z geometries and greatly reduced for more complex geometries.« less

High Resolution Electron Microbeam Examination and 3D Reconstruction of Alligator Gar Scale

DTIC Science & Technology

2016-06-27

Distribution Unlimited UU UU UU UU 27-06-2016 15-Nov-2012 14-Nov-2015 Final Report: High Resolution Electron Microbeam Examination and 3D ...ADDRESS (ES) U.S. Army Research Office P.O. Box 12211 Research Triangle Park, NC 27709-2211 Alligator Gar Fish, 3D characterization, Electron...Resolution Electron Microbeam Examination and 3D reconstruction of Alligator Gar Scale Report Title Engineered laminate composites have been widely used

The Effects of Surface Reconstruction and Electron-Positron Correlation on the Annihilation Characteristics of Positrons Trapped at Semiconductor Surfaces

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

Fazleev, N. G.; Department of Physics, Kazan State University, Kazan 420008; Jung, E.

2009-03-10

Experimental positron annihilation induced Auger electron spectroscopy (PAES) data from Ge(100) and Ge(111) surfaces display several strong Auger peaks corresponding to M{sub 4,5}N{sub 1}N{sub 2,3}, M{sub 2,3}M{sub 4,5}M{sub 4,5}, M{sub 2,3}M{sub 4,5}V, and M{sub 1}M{sub 4,5}M{sub 4,5} Auger transitions. The integrated peak intensities of Auger transitions have been used to obtain experimental annihilation probabilities for the Ge 3d and 3p core electrons. The experimental data were analyzed by performing theoretical studies of the effects of surface reconstructions and electron-positron correlations on image potential induced surface states and annihilation characteristics of positrons trapped at the reconstructed Ge(100) and Ge(111) surfaces. Calculationsmore » of positron surface states and annihilation characteristics have been performed for Ge(100) surface with (2x1), (2x2), and (4x2) reconstructions, and for Ge(111) surface with c(2x8) reconstruction. Estimates of the positron binding energy and annihilation characteristics reveal their sensitivity to the specific atomic structure of the topmost layers of the semiconductor and to the approximations used to describe electron-positron correlations. The results of these theoretical studies are compared with the ones obtained for the reconstructed Si(100)-(2x1) and Si(111)-(7x7) surfaces.« less

Prediction of a mobile two-dimensional electron gas at the LaSc O3 /BaSn O3 (001) interface

NASA Astrophysics Data System (ADS)

Paudel, Tula R.; Tsymbal, Evgeny Y.

2017-12-01

Two-dimensional electron gases (2DEG) at oxide interfaces, such as LaAl O3 /SrTi O3 (001), have aroused significant interest due to their high carrier density (˜1014c m-2 ) and strong lateral confinement (˜1 nm). However, these 2DEGs are normally hosted by the weakly dispersive and degenerate d bands (e.g., Ti -3 d bands), which are strongly coupled to the lattice, causing mobility of such 2DEGs to be relatively low at room temperature (˜1 c m2/Vs ). Here, we propose using oxide host materials with the conduction bands formed from s electrons to increase carrier mobility and soften its temperature dependence. Using first-principles density functional theory calculations, we investigate LaSc O3 /BaSn O3 (001) heterostructure and as a model system, where the conduction band hosts the s -like carriers. We find that the polar discontinuity at this interface leads to electronic reconstruction resulting in the formation of the 2DEG at this interface. The conduction electrons reside in the highly dispersive Sn -5 s bands, which have a large band width and a low effective mass. The predicted 2DEG is expected to be highly mobile even at room temperature due to the reduced electron-phonon scattering via the inter-band scattering channel. A qualitatively similar behavior is predicted for a doped BaSn O3 , where a monolayer of BaO is replaced with LaO. We anticipate that the quantum phenomena associated with these 2DEGs to be more pronounced owing to the high mobility of the carriers.

Testing the gravitational instability hypothesis?

NASA Technical Reports Server (NTRS)

Babul, Arif; Weinberg, David H.; Dekel, Avishai; Ostriker, Jeremiah P.

1994-01-01

We challenge a widely accepted assumption of observational cosmology: that successful reconstruction of observed galaxy density fields from measured galaxy velocity fields (or vice versa), using the methods of gravitational instability theory, implies that the observed large-scale structures and large-scale flows were produced by the action of gravity. This assumption is false, in that there exist nongravitational theories that pass the reconstruction tests and gravitational theories with certain forms of biased galaxy formation that fail them. Gravitational instability theory predicts specific correlations between large-scale velocity and mass density fields, but the same correlations arise in any model where (a) structures in the galaxy distribution grow from homogeneous initial conditions in a way that satisfies the continuity equation, and (b) the present-day velocity field is irrotational and proportional to the time-averaged velocity field. We demonstrate these assertions using analytical arguments and N-body simulations. If large-scale structure is formed by gravitational instability, then the ratio of the galaxy density contrast to the divergence of the velocity field yields an estimate of the density parameter Omega (or, more generally, an estimate of beta identically equal to Omega(exp 0.6)/b, where b is an assumed constant of proportionality between galaxy and mass density fluctuations. In nongravitational scenarios, the values of Omega or beta estimated in this way may fail to represent the true cosmological values. However, even if nongravitational forces initiate and shape the growth of structure, gravitationally induced accelerations can dominate the velocity field at late times, long after the action of any nongravitational impulses. The estimated beta approaches the true value in such cases, and in our numerical simulations the estimated beta values are reasonably accurate for both gravitational and nongravitational models. Reconstruction tests that show correlations between galaxy density and velocity fields can rule out some physically interesting models of large-scale structure. In particular, successful reconstructions constrain the nature of any bias between the galaxy and mass distributions, since processes that modulate the efficiency of galaxy formation on large scales in a way that violates the continuity equation also produce a mismatch between the observed galaxy density and the density inferred from the peculiar velocity field. We obtain successful reconstructions for a gravitational model with peaks biasing, but we also show examples of gravitational and nongravitational models that fail reconstruction tests because of more complicated modulations of galaxy formation.

Crystallographic perturbations to valence charge density and hydrogen-surface interactions

NASA Astrophysics Data System (ADS)

Ciston, James W.

The subject of surfaces has been the epicenter of numerous studies in recent years, particularly with respect to applications in catalysis, thin films, and self-assembly of nanostructures where the surface-to-volume ratio is large. Understanding how the atomic structure of materials differs at surfaces where the atoms are far less constrained can yield fundamental insight into these interesting nanoscale phenomena. Quantum surface crystallography takes this one step further in an attempt to experimentally measure the structure of the electrons themselves, which is of greater importance than atomic positions in determining material properties. We report a procedure for obtaining a much better initial parameterization of the charge density than what is possible from a neutral atom model. This procedure involves the parameterization of a bulk charge density model in terms of simple variables such as bond lengths, which can then be transferred to the problem of interest, for instance a surface. Parameterization is accomplished through the fitting of Density Functional Theory calculations of a variety of crystal distortions to a bond-centered pseudoatom (BCPA) model. This parameterized model can then be applied to surfaces or for other problems where an initial higher-order model is needed without the addition of any extra fitted parameters. Through the use of the BCPA model, we report a three-dimensional charge density refinement from x-ray diffraction intensities of the Si (001) 2x1H surface. By properly accounting for the covalent bonding effects in the silicon structure, we were able to stably refine the positions of hydrogen atoms at this surface in three dimensions, which had never before been accomplished for any surface. In addition, we found experimentally an increased, slightly localized bond density of approximately 0.31 electrons between each Si atom pair at the surface. Both the atomic positions and the charge density were found to be in remarkably good agreement with density functional theory (DFT) calculations. The BCPA model was also applied to an experimental refinement of the local charge density at the Si (111) 7x7 surface utilizing a combination of x-ray and high energy electron diffraction. By perturbing about the bond-centered pseudoatom model, we found experimentally that the adatoms were in an anti-bonding state with the atoms directly below. We were also able to experimentally refine a charge transfer of 0.26+/-0.04 e- from each adatom site to the underlying layers. This was the first statistically significant refinement of site-specific bonding information at any surface utilizing x-ray diffraction data. Precession electron diffraction (PED) is a technique which is gaining increasing interest due to its ease of use and reduction of the dynamical scattering problem in electron diffraction. To further investigate the usefulness of this technique, we performed a systematic study of the effect of precession angle on the mineral andalusite where the semiangle was varied from 6.5 to 32 mrad in five discrete steps. We have shown that the intensities of kinematically forbidden reflections decayed exponentially as the precession semiangle (ϕ) was increased. Additionally, we have determined that charge density effects were best observed at moderately low angles (6.5-13 mrad) even though PED patterns became more kinematical in nature as the precession angle was increased further. We have also shown that the amount of interpretable information provided by direct methods phase inversion of the diffraction data increases monotonically but non-systematically as ϕ increases. We report an experimental and theoretical analysis of the ✓3x✓3-R30° and 2x2 reconstructions on the MgO (111) surface combining transmission electron microscopy, x-ray photoelectron spectroscopy, and reasonably accurate density functional calculations using the meta-GGA functional TPSS. We have not only conclusively solved the atomic structures of these reconstructions, but have developed a kinetic model for an evolutionary pathway between structures driven entirely by exchange of water molecules between the surface and the environment that does not require the cations to move when the structure transforms. This is the first time an experimentally and theoretically supported kinetic model has described not only all of the structures in a series on a single oxide surface, but also describes why none of the structures pass through the thermodynamically most stable configuration. Lastly, we have investigated the observability of valence bonding effects in aberration-corrected high resolution electron microscopy (HREM) images along the [010] projection of the mineral Forsterite (Mg2SiO 4). Direct observability of bonding effects would be both faster and less ambiguous than the refinement of similar features against diffraction data. Through analysis of simulated high resolution electron microscopy images, we have determined that bonding effects should be observable at levels approaching 20% of the total contrast. Initial experimental results for this material system have also been presented.

SU-F-J-175: Evaluation of Metal Artifact Reduction Algorithms in Computed Tomography and Their Application to Radiation Therapy Treatment Planning

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

Norris, H; Rangaraj, D; Kim, S

Purpose: High-Z (metal) implants in CT scans cause significant streak-like artifacts in the reconstructed dataset. This results in both inaccurate CT Hounsfield units for the tissue as well as obscuration of the target and organs at risk (OARs) for radiation therapy planning. Herein we analyze two metal artifact reduction algorithms: GE’s Smart MAR and a Metal Deletion Technique (MDT) for geometric and Hounsfield Unit (HU) accuracy. Methods: A CT-to-electron density phantom, with multiple inserts of various densities and a custom Cerrobend insert (Zeff=76.8), is utilized in this continuing study. The phantom is scanned without metal (baseline) and again with themore » metal insert. Using one set of projection data, reconstructed CT volumes are created with filtered-back-projection (FBP) and the MAR and the MDT algorithms. Regions-of-Interest (ROIs) are evaluated for each insert for HU accuracy; the metal insert’s Full-Width-Half-Maximum (FWHM) is used to evaluate the geometric accuracy. Streak severity is quantified with an HU error metric over the phantom volume. Results: The original FBP reconstruction has a Root-Mean-Square-Error (RMSE) of 57.55 HU (STD=29.19, range=−145.8 to +79.2) compared to baseline. The MAR reconstruction has a RMSE of 20.98 HU (STD=13.92, range=−18.3 to +61.7). The MDT reconstruction has a RMSE of 10.05 HU (STD=10.5, range=−14.8 to +18.6). FWHM for baseline=162.05; FBP=161.84 (−0.13%); MAR=162.36 (+0.19%); MDT=162.99 (+0.58%). Streak severity metric for FBP=19.73 (22.659% bad pixels); MAR=8.743 (9.538% bad); MDT=4.899 (5.303% bad). Conclusion: Image quality, in terms of HU accuracy, in the presence of high-Z metal objects in CT scans is improved by metal artifact reduction reconstruction algorithms. The MDT algorithm had the highest HU value accuracy (RMSE=10.05 HU) and best streak severity metric, but scored the worst in terms of geometric accuracy. Qualitatively, the MAR and MDT algorithms increased detectability of inserts, although there is a loss of in-plane resolution near the metallic insert.« less

Limitation of Liquid Crystal on Silicon Spatial Light Modular for Holographic Three-dimensional Displays

NASA Technical Reports Server (NTRS)

Wang, Xinghua; Wang, Bin; Bos, Philip J.; Anderson, James E.; Kujawinska, Malgorzata; Pouch, John; Miranda, Feliz

2004-01-01

In a 3-D display system based on an opto-electronic reconstruction of a digitally recorded hologram, the field of view of such a system is limited by the spatial resolution of the liquid crystal on silicon (LCOS) spatial light modular (SLM) used to perform the opto-electronic reconstruction. In this article, the special resolution limitation of LCOS SLM associated with the fringe field effect and interpixel coupling is determined by the liquid crystal detector simulation and the Finite Difference Time Domain (FDTD) simulation. The diffraction efficiency loss associated with the imperfection in the phase profile is studied with an example of opto-electronic reconstruction of an amplitude object. A high spatial resolution LCOS SLM with a wide reconstruction angle is proposed.

Static resistivity image of a cubic saline phantom in magnetic resonance electrical impedance tomography (MREIT).

PubMed

Lee, Byung Il; Oh, Suk Hoon; Woo, Eung Je; Lee, Soo Yeol; Cho, Min Hyeong; Kwon, Ohin; Seo, Jin Keun; Baek, Woon Sik

2003-05-01

In magnetic resonance electrical impedance tomography (MREIT) we inject currents through electrodes placed on the surface of a subject and try to reconstruct cross-sectional resistivity (or conductivity) images using internal magnetic flux density as well as boundary voltage measurements. In this paper we present a static resistivity image of a cubic saline phantom (50 x 50 x 50 mm3) containing a cylindrical sausage object with an average resistivity value of 123.7 ohms cm. Our current MREIT system is based on an experimental 0.3 T MRI scanner and a current injection apparatus. We captured MR phase images of the phantom while injecting currents of 28 mA through two pairs of surface electrodes. We computed current density images from magnetic flux density images that are proportional to the MR phase images. From the current density images and boundary voltage data we reconstructed a cross-sectional resistivity image within a central region of 38.5 x 38.5 mm2 at the middle of the phantom using the J-substitution algorithm. The spatial resolution of the reconstructed image was 64 x 64 and the reconstructed average resistivity of the sausage was 117.7 ohms cm. Even though the error in the reconstructed average resistivity value was small, the relative L2-error of the reconstructed image was 25.5% due to the noise in measured MR phase images. We expect improvements in the accuracy by utilizing an MRI scanner with higher SNR and increasing the size of voxels scarifying the spatial resolution.

High-speed digital holography for neutral gas and electron density imaging

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

Granstedt, E. M., E-mail: egranstedt@gmail.com; Thomas, C. E.; Kaita, R.

2016-05-15

An instrument was developed using digital holographic reconstruction of the wavefront from a CO{sub 2} laser imaged on a high-speed commercial IR camera. An acousto-optic modulator is used to generate 1–25 μs pulses from a continuous-wave CO{sub 2} laser, both to limit the average power at the detector and also to freeze motion from sub-interframe time scales. Extensive effort was made to characterize and eliminate noise from vibrations and second-surface reflections. Mismatch of the reference and object beam curvature initially contributed substantially to vibrational noise, but was mitigated through careful positioning of identical imaging lenses. Vibrational mode amplitudes were successfullymore » reduced to ≲1 nm for frequencies ≳50 Hz, and the inter-frame noise across the 128 × 128 pixel window which is typically used is ≲2.5 nm. To demonstrate the capabilities of the system, a piezo-electric valve and a reducing-expanding nozzle were used to generate a super-sonic gas jet which was imaged with high spatial resolution (better than 0.8 lp/mm) at high speed. Abel inversions were performed on the phase images to produce 2-D images of localized gas density. This system could also be used for high spatial and temporal resolution measurements of plasma electron density or surface deformations.« less

Modelling coronal electron density and temperature profiles of the Active Region NOAA 11855

NASA Astrophysics Data System (ADS)

Rodríguez Gómez, J. M.; Antunes Vieira, L. E.; Dal Lago, A.; Palacios, J.; Balmaceda, L. A.; Stekel, T.

2017-10-01

The magnetic flux emergence can help understand the physical mechanism responsible for solar atmospheric phenomena. Emerging magnetic flux is frequently related to eruptive events, because when emerging they can reconnected with the ambient field and release magnetic energy. We will use a physic-based model to reconstruct the evolution of the solar emission based on the configuration of the photospheric magnetic field. The structure of the coronal magnetic field is estimated by employing force-free extrapolation NLFFF based on vector magnetic field products (SHARPS) observed by HMI instrument aboard SDO spacecraft from Sept. 29 (2013) to Oct. 07 (2013). The coronal plasma temperature and density are described and the emission is estimated using the CHIANTI atomic database 8.0. The performance of the our model is compared to the integrated emission from the AIA instrument aboard SDO spacecraft in the specific wavelengths 171Å and 304Å.

High-harmonic generation in amorphous solids

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

You, Yong Sing; Yin, Yanchun; Wu, Yi

High-harmonic generation in isolated atoms and molecules has been widely utilized in extreme ultraviolet photonics and attosecond pulse metrology. Recently, high-harmonic generation has been observed in solids, which could lead to important applications such as all-optical methods to image valance charge density and reconstruct electronic band structures, as well as compact extreme ultraviolet light sources. So far these studies are confined to crystalline solids; therefore, decoupling the respective roles of long-range periodicity and high density has been challenging. Here we report the observation of high-harmonic generation from amorphous fused silica. We also decouple the role of long-range periodicity by comparingmore » harmonics generated from fused silica and crystalline quartz, which contain the same atomic constituents but differ in long-range periodicity. These results advance current understanding of the strong-field processes leading to high-harmonic generation in solids with implications for the development of robust and compact extreme ultraviolet light sources.« less

High-harmonic generation in amorphous solids

DOE PAGES

You, Yong Sing; Yin, Yanchun; Wu, Yi; ...

2017-09-28

High-harmonic generation in isolated atoms and molecules has been widely utilized in extreme ultraviolet photonics and attosecond pulse metrology. Recently, high-harmonic generation has been observed in solids, which could lead to important applications such as all-optical methods to image valance charge density and reconstruct electronic band structures, as well as compact extreme ultraviolet light sources. So far these studies are confined to crystalline solids; therefore, decoupling the respective roles of long-range periodicity and high density has been challenging. Here we report the observation of high-harmonic generation from amorphous fused silica. We also decouple the role of long-range periodicity by comparingmore » harmonics generated from fused silica and crystalline quartz, which contain the same atomic constituents but differ in long-range periodicity. These results advance current understanding of the strong-field processes leading to high-harmonic generation in solids with implications for the development of robust and compact extreme ultraviolet light sources.« less

(LaTiO3)n/(LaVO3)n as a model system for unconventional charge transfer and polar metallicity

NASA Astrophysics Data System (ADS)

Weng, Yakui; Zhang, Jun-Jie; Gao, Bin; Dong, Shuai

At interfaces between oxide materials, lattice and electronic reconstructions always play important roles in exotic phenomena. In this study, the density-functional theory and maximally localized Wannier functions are employed to investigate the (LaTiO3)n/(LaVO3)n magnetic superlattices. By considering lattice distortion and dimensional effect, many interesting interfacial physics have been found in the n = 1 superlattice, e.g. magnetic phase transition, unconventional charge transfer, and metal-insulator transition. In addition, the compatibility among the polar structure, ferrimagnetism, and metallicity is predicted in the n = 2 superlattice.

Miniature modified Faraday cup for micro electron beams

DOEpatents

Teruya, Alan T.; Elmer, John W.; Palmer, Todd A.; Walton, Chris C.

2008-05-27

A micro beam Faraday cup assembly includes a refractory metal layer with an odd number of thin, radially positioned traces in this refractory metal layer. Some of the radially positioned traces are located at the edge of the micro modified Faraday cup body and some of the radially positioned traces are located in the central portion of the micro modified Faraday cup body. Each set of traces is connected to a separate data acquisition channel to form multiple independent diagnostic networks. The data obtained from the two diagnostic networks are combined and inputted into a computed tomography algorithm to reconstruct the beam shape, size, and power density distribution.

Late summer temperature reconstruction based on tree-ring density for Sygera Mountain, southeastern Tibetan Plateau

NASA Astrophysics Data System (ADS)

Li, Mingyong; Duan, Jianping; Wang, Lily; Zhu, Haifeng

2018-04-01

Although several tree-ring density-based summer/late summer temperature reconstructions have been developed on the Tibetan Plateau (TP), the understanding of the local/regional characteristics of summer temperature fluctuations on a long-term scale in some regions is still limited. To improve our understanding in these aspects, more local or regional summer temperature reconstructions extending back over several centuries are required. In this study, a new mean latewood density (LWD) chronology from Abies georgei var. smithii from the upper tree line of Sygera Mountain on the southeastern TP was developed to reconstruct the late summer temperature variability since 1820 CE. The bootstrapped correlation analysis showed that the LWD chronology index was significantly and positively correlated with the late summer (August-September) mean temperatures (r1950-2008 = 0.63, p < 0.001) recorded at the nearest meteorological station and that this reconstruction has considerable potential to represent the late summer temperature variability at the regional scale. Our late summer temperature reconstruction revealed three obvious cold periods (i.e., 1872-1908, 1913-1937 and 1941-1966) and two relatively warm phases (i.e., 1821-1871 and 1970-2008) over the past two centuries. Comparisons of our reconstruction with other independent tree-ring-based temperature reconstructions, glacier fluctuations and historical documental records from neighboring regions showed good agreement in these relatively cold and warm intervals. Our reconstruction exhibits an overall increasing temperature trend since the 1960s, providing new evidence supporting the recent warming of the TP. Moreover, our results also indicate that the late summer temperature variability of Sygera Mountain on the southeastern TP has potential links with the Pacific Decadal Oscillation (PDO).

Empirical Modeling of the Plasmasphere Dynamics Using Neural Networks

NASA Astrophysics Data System (ADS)

Zhelavskaya, I. S.; Shprits, Y.; Spasojevic, M.

2017-12-01

We present a new empirical model for reconstructing the global dynamics of the cold plasma density distribution based only on solar wind data and geomagnetic indices. Utilizing the density database obtained using the NURD (Neural-network-based Upper hybrid Resonance Determination) algorithm for the period of October 1, 2012 - July 1, 2016, in conjunction with solar wind data and geomagnetic indices, we develop a neural network model that is capable of globally reconstructing the dynamics of the cold plasma density distribution for 2 ≤ L ≤ 6 and all local times. We validate and test the model by measuring its performance on independent datasets withheld from the training set and by comparing the model predicted global evolution with global images of He+ distribution in the Earth's plasmasphere from the IMAGE Extreme UltraViolet (EUV) instrument. We identify the parameters that best quantify the plasmasphere dynamics by training and comparing multiple neural networks with different combinations of input parameters (geomagnetic indices, solar wind data, and different durations of their time history). We demonstrate results of both local and global plasma density reconstruction. This study illustrates how global dynamics can be reconstructed from local in-situ observations by using machine learning techniques.

Phase-space foundations of electron holography

NASA Astrophysics Data System (ADS)

Lubk, A.; Röder, F.

2015-09-01

We present a unified formalism for describing various forms of electron holography in quantum mechanical phase space including their extensions to quantum-state reconstructions. The phase-space perspective allows for taking into account partial coherence as well as the quantum mechanical detection process typically hampering the unique reconstruction of a wave function. We elaborate on the limitations imposed by the electron optical elements of the transmission electron microscope as well as the scattering at the target. The results provide the basis for vastly extending the scope of electron holographic techniques towards analyzing partially coherent signals such as inelastically scattered electrons or electron pulses used in ultrafast transmission electron microscopy.

Validated near-atomic resolution structure of bacteriophage epsilon15 derived from cryo-EM and modeling

PubMed Central

Baker, Matthew L.; Hryc, Corey F.; Zhang, Qinfen; Wu, Weimin; Jakana, Joanita; Haase-Pettingell, Cameron; Afonine, Pavel V.; Adams, Paul D.; King, Jonathan A.; Jiang, Wen; Chiu, Wah

2013-01-01

High-resolution structures of viruses have made important contributions to modern structural biology. Bacteriophages, the most diverse and abundant organisms on earth, replicate and infect all bacteria and archaea, making them excellent potential alternatives to antibiotics and therapies for multidrug-resistant bacteria. Here, we improved upon our previous electron cryomicroscopy structure of Salmonella bacteriophage epsilon15, achieving a resolution sufficient to determine the tertiary structures of both gp7 and gp10 protein subunits that form the T = 7 icosahedral lattice. This study utilizes recently established best practice for near-atomic to high-resolution (3–5 Å) electron cryomicroscopy data evaluation. The resolution and reliability of the density map were cross-validated by multiple reconstructions from truly independent data sets, whereas the models of the individual protein subunits were validated adopting the best practices from X-ray crystallography. Some sidechain densities are clearly resolved and show the subunit–subunit interactions within and across the capsomeres that are required to stabilize the virus. The presence of the canonical phage and jellyroll viral protein folds, gp7 and gp10, respectively, in the same virus suggests that epsilon15 may have emerged more recently relative to other bacteriophages. PMID:23840063

Protein structure determination by electron diffraction using a single three-dimensional nanocrystal.

PubMed

Clabbers, M T B; van Genderen, E; Wan, W; Wiegers, E L; Gruene, T; Abrahams, J P

2017-09-01

Three-dimensional nanometre-sized crystals of macromolecules currently resist structure elucidation by single-crystal X-ray crystallography. Here, a single nanocrystal with a diffracting volume of only 0.14 µm 3 , i.e. no more than 6 × 10 5 unit cells, provided sufficient information to determine the structure of a rare dimeric polymorph of hen egg-white lysozyme by electron crystallography. This is at least an order of magnitude smaller than was previously possible. The molecular-replacement solution, based on a monomeric polyalanine model, provided sufficient phasing power to show side-chain density, and automated model building was used to reconstruct the side chains. Diffraction data were acquired using the rotation method with parallel beam diffraction on a Titan Krios transmission electron microscope equipped with a novel in-house-designed 1024 × 1024 pixel Timepix hybrid pixel detector for low-dose diffraction data collection. Favourable detector characteristics include the ability to accurately discriminate single high-energy electrons from X-rays and count them, fast readout to finely sample reciprocal space and a high dynamic range. This work, together with other recent milestones, suggests that electron crystallography can provide an attractive alternative in determining biological structures.

Protein structure determination by electron diffraction using a single three-dimensional nanocrystal

PubMed Central

Clabbers, M. T. B.; van Genderen, E.; Wiegers, E. L.; Gruene, T.; Abrahams, J. P.

2017-01-01

Three-dimensional nanometre-sized crystals of macromolecules currently resist structure elucidation by single-crystal X-ray crystallography. Here, a single nanocrystal with a diffracting volume of only 0.14 µm3, i.e. no more than 6 × 105 unit cells, provided sufficient information to determine the structure of a rare dimeric polymorph of hen egg-white lysozyme by electron crystallography. This is at least an order of magnitude smaller than was previously possible. The molecular-replacement solution, based on a monomeric polyalanine model, provided sufficient phasing power to show side-chain density, and automated model building was used to reconstruct the side chains. Diffraction data were acquired using the rotation method with parallel beam diffraction on a Titan Krios transmission electron microscope equipped with a novel in-house-designed 1024 × 1024 pixel Timepix hybrid pixel detector for low-dose diffraction data collection. Favourable detector characteristics include the ability to accurately discriminate single high-energy electrons from X-rays and count them, fast readout to finely sample reciprocal space and a high dynamic range. This work, together with other recent milestones, suggests that electron crystallography can provide an attractive alternative in determining biological structures. PMID:28876237

SPIDER image processing for single-particle reconstruction of biological macromolecules from electron micrographs

PubMed Central

Shaikh, Tanvir R; Gao, Haixiao; Baxter, William T; Asturias, Francisco J; Boisset, Nicolas; Leith, Ardean; Frank, Joachim

2009-01-01

This protocol describes the reconstruction of biological molecules from the electron micrographs of single particles. Computation here is performed using the image-processing software SPIDER and can be managed using a graphical user interface, termed the SPIDER Reconstruction Engine. Two approaches are described to obtain an initial reconstruction: random-conical tilt and common lines. Once an existing model is available, reference-based alignment can be used, a procedure that can be iterated. Also described is supervised classification, a method to look for homogeneous subsets when multiple known conformations of the molecule may coexist. PMID:19180078

Third-dimension information retrieval from a single convergent-beam transmission electron diffraction pattern using an artificial neural network

NASA Astrophysics Data System (ADS)

Pennington, Robert S.; Van den Broek, Wouter; Koch, Christoph T.

2014-05-01

We have reconstructed third-dimension specimen information from convergent-beam electron diffraction (CBED) patterns simulated using the stacked-Bloch-wave method. By reformulating the stacked-Bloch-wave formalism as an artificial neural network and optimizing with resilient back propagation, we demonstrate specimen orientation reconstructions with depth resolutions down to 5 nm. To show our algorithm's ability to analyze realistic data, we also discuss and demonstrate our algorithm reconstructing from noisy data and using a limited number of CBED disks. Applicability of this reconstruction algorithm to other specimen parameters is discussed.

Liquid Argon TPC Signal Formation, Signal Processing and Hit Reconstruction

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

Baller, Bruce

2017-03-11

This document describes the early stage of the reconstruction chain that was developed for the ArgoNeuT and MicroBooNE experiments at Fermilab. These experiments study accelerator neutrino interactions that occur in a Liquid Argon Time Projection Chamber. Reconstructing the properties of particles produced in these interactions requires knowledge of the micro-physics processes that affect the creation and transport of ionization electrons to the readout system. A wire signal deconvolution technique was developed to convert wire signals to a standard form for hit reconstruction, to remove artifacts in the electronics chain and to remove coherent noise.

Simultaneous determination of sample thickness, tilt, and electron mean free path using tomographic tilt images based on Beer-Lambert law

PubMed Central

Yan, Rui; Edwards, Thomas J.; Pankratz, Logan M.; Kuhn, Richard J.; Lanman, Jason K.; Liu, Jun; Jiang, Wen

2015-01-01

Cryo-electron tomography (cryo-ET) is an emerging technique that can elucidate the architecture of macromolecular complexes and cellular ultrastructure in a near-native state. Some important sample parameters, such as thickness and tilt, are needed for 3-D reconstruction. However, these parameters can currently only be determined using trial 3-D reconstructions. Accurate electron mean free path plays a significant role in modeling image formation process essential for simulation of electron microscopy images and model-based iterative 3-D reconstruction methods; however, their values are voltage and sample dependent and have only been experimentally measured for a limited number of sample conditions. Here, we report a computational method, tomoThickness, based on the Beer-Lambert law, to simultaneously determine the sample thickness, tilt and electron inelastic mean free path by solving an overdetermined nonlinear least square optimization problem utilizing the strong constraints of tilt relationships. The method has been extensively tested with both stained and cryo datasets. The fitted electron mean free paths are consistent with reported experimental measurements. The accurate thickness estimation eliminates the need for a generous assignment of Z-dimension size of the tomogram. Interestingly, we have also found that nearly all samples are a few degrees tilted relative to the electron beam. Compensation of the intrinsic sample tilt can result in horizontal structure and reduced Z-dimension of tomograms. Our fast, pre-reconstruction method can thus provide important sample parameters that can help improve performance of tomographic reconstruction of a wide range of samples. PMID:26433027

Simultaneous determination of sample thickness, tilt, and electron mean free path using tomographic tilt images based on Beer-Lambert law.

PubMed

Yan, Rui; Edwards, Thomas J; Pankratz, Logan M; Kuhn, Richard J; Lanman, Jason K; Liu, Jun; Jiang, Wen

2015-11-01

Cryo-electron tomography (cryo-ET) is an emerging technique that can elucidate the architecture of macromolecular complexes and cellular ultrastructure in a near-native state. Some important sample parameters, such as thickness and tilt, are needed for 3-D reconstruction. However, these parameters can currently only be determined using trial 3-D reconstructions. Accurate electron mean free path plays a significant role in modeling image formation process essential for simulation of electron microscopy images and model-based iterative 3-D reconstruction methods; however, their values are voltage and sample dependent and have only been experimentally measured for a limited number of sample conditions. Here, we report a computational method, tomoThickness, based on the Beer-Lambert law, to simultaneously determine the sample thickness, tilt and electron inelastic mean free path by solving an overdetermined nonlinear least square optimization problem utilizing the strong constraints of tilt relationships. The method has been extensively tested with both stained and cryo datasets. The fitted electron mean free paths are consistent with reported experimental measurements. The accurate thickness estimation eliminates the need for a generous assignment of Z-dimension size of the tomogram. Interestingly, we have also found that nearly all samples are a few degrees tilted relative to the electron beam. Compensation of the intrinsic sample tilt can result in horizontal structure and reduced Z-dimension of tomograms. Our fast, pre-reconstruction method can thus provide important sample parameters that can help improve performance of tomographic reconstruction of a wide range of samples. Copyright © 2015 Elsevier Inc. All rights reserved.

Analysis of an Optimized MLOS Tomographic Reconstruction Algorithm and Comparison to the MART Reconstruction Algorithm

NASA Astrophysics Data System (ADS)

La Foy, Roderick; Vlachos, Pavlos

2011-11-01

An optimally designed MLOS tomographic reconstruction algorithm for use in 3D PIV and PTV applications is analyzed. Using a set of optimized reconstruction parameters, the reconstructions produced by the MLOS algorithm are shown to be comparable to reconstructions produced by the MART algorithm for a range of camera geometries, camera numbers, and particle seeding densities. The resultant velocity field error calculated using PIV and PTV algorithms is further minimized by applying both pre and post processing to the reconstructed data sets.

Surface reconstruction of InAs (001) depending on the pressure and temperature examined by density functional thermodynamics.

PubMed

Yeu, In Won; Park, Jaehong; Han, Gyuseung; Hwang, Cheol Seong; Choi, Jung-Hae

2017-09-06

A detailed understanding of the atomic configuration of the compound semiconductor surface, especially after reconstruction, is very important for the device fabrication and performance. While there have been numerous experimental studies using the scanning probe techniques, further theoretical studies on surface reconstruction are necessary to promote the clear understanding of the origins and development of such subtle surface structures. In this work, therefore, a pressure-temperature surface reconstruction diagram was constructed for the model case of the InAs (001) surface considering both the vibrational entropy and configurational entropy based on the density functional theory. Notably, the equilibrium fraction of various reconstructions was determined as a function of the pressure and temperature, not as a function of the chemical potential, which largely facilitated the direct comparison with the experiments. By taking into account the entropy effects, the coexistence of the multiple reconstructions and the fractional change of each reconstruction by the thermodynamic condition were predicted and were in agreement with the previous experimental observations. This work provides the community with a useful framework for such type of theoretical studies.

Poster — Thur Eve — 14: Improving Tissue Segmentation for Monte Carlo Dose Calculation using DECT

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

Di Salvio, A.; Bedwani, S.; Carrier, J-F.

2014-08-15

Purpose: To improve Monte Carlo dose calculation accuracy through a new tissue segmentation technique with dual energy CT (DECT). Methods: Electron density (ED) and effective atomic number (EAN) can be extracted directly from DECT data with a stoichiometric calibration method. Images are acquired with Monte Carlo CT projections using the user code egs-cbct and reconstructed using an FDK backprojection algorithm. Calibration is performed using projections of a numerical RMI phantom. A weighted parameter algorithm then uses both EAN and ED to assign materials to voxels from DECT simulated images. This new method is compared to a standard tissue characterization frommore » single energy CT (SECT) data using a segmented calibrated Hounsfield unit (HU) to ED curve. Both methods are compared to the reference numerical head phantom. Monte Carlo simulations on uniform phantoms of different tissues using dosxyz-nrc show discrepancies in depth-dose distributions. Results: Both SECT and DECT segmentation methods show similar performance assigning soft tissues. Performance is however improved with DECT in regions with higher density, such as bones, where it assigns materials correctly 8% more often than segmentation with SECT, considering the same set of tissues and simulated clinical CT images, i.e. including noise and reconstruction artifacts. Furthermore, Monte Carlo results indicate that kV photon beam depth-dose distributions can double between two tissues of density higher than muscle. Conclusions: A direct acquisition of ED and the added information of EAN with DECT data improves tissue segmentation and increases the accuracy of Monte Carlo dose calculation in kV photon beams.« less

An iterative reduced field-of-view reconstruction for periodically rotated overlapping parallel lines with enhanced reconstruction (PROPELLER) MRI.

PubMed

Lin, Jyh-Miin; Patterson, Andrew J; Chang, Hing-Chiu; Gillard, Jonathan H; Graves, Martin J

2015-10-01

To propose a new reduced field-of-view (rFOV) strategy for iterative reconstructions in a clinical environment. Iterative reconstructions can incorporate regularization terms to improve the image quality of periodically rotated overlapping parallel lines with enhanced reconstruction (PROPELLER) MRI. However, the large amount of calculations required for full FOV iterative reconstructions has posed a huge computational challenge for clinical usage. By subdividing the entire problem into smaller rFOVs, the iterative reconstruction can be accelerated on a desktop with a single graphic processing unit (GPU). This rFOV strategy divides the iterative reconstruction into blocks, based on the block-diagonal dominant structure. A near real-time reconstruction system was developed for the clinical MR unit, and parallel computing was implemented using the object-oriented model. In addition, the Toeplitz method was implemented on the GPU to reduce the time required for full interpolation. Using the data acquired from the PROPELLER MRI, the reconstructed images were then saved in the digital imaging and communications in medicine format. The proposed rFOV reconstruction reduced the gridding time by 97%, as the total iteration time was 3 s even with multiple processes running. A phantom study showed that the structure similarity index for rFOV reconstruction was statistically superior to conventional density compensation (p < 0.001). In vivo study validated the increased signal-to-noise ratio, which is over four times higher than with density compensation. Image sharpness index was improved using the regularized reconstruction implemented. The rFOV strategy permits near real-time iterative reconstruction to improve the image quality of PROPELLER images. Substantial improvements in image quality metrics were validated in the experiments. The concept of rFOV reconstruction may potentially be applied to other kinds of iterative reconstructions for shortened reconstruction duration.

Hybrid reconstruction of quantum density matrix: when low-rank meets sparsity

NASA Astrophysics Data System (ADS)

Li, Kezhi; Zheng, Kai; Yang, Jingbei; Cong, Shuang; Liu, Xiaomei; Li, Zhaokai

2017-12-01

Both the mathematical theory and experiments have verified that the quantum state tomography based on compressive sensing is an efficient framework for the reconstruction of quantum density states. In recent physical experiments, we found that many unknown density matrices in which people are interested in are low-rank as well as sparse. Bearing this information in mind, in this paper we propose a reconstruction algorithm that combines the low-rank and the sparsity property of density matrices and further theoretically prove that the solution of the optimization function can be, and only be, the true density matrix satisfying the model with overwhelming probability, as long as a necessary number of measurements are allowed. The solver leverages the fixed-point equation technique in which a step-by-step strategy is developed by utilizing an extended soft threshold operator that copes with complex values. Numerical experiments of the density matrix estimation for real nuclear magnetic resonance devices reveal that the proposed method achieves a better accuracy compared to some existing methods. We believe that the proposed method could be leveraged as a generalized approach and widely implemented in the quantum state estimation.

ELUCID - Exploring the Local Universe with ReConstructed Initial Density Field III: Constrained Simulation in the SDSS Volume

NASA Astrophysics Data System (ADS)

Wang, Huiyuan; Mo, H. J.; Yang, Xiaohu; Zhang, Youcai; Shi, JingJing; Jing, Y. P.; Liu, Chengze; Li, Shijie; Kang, Xi; Gao, Yang

2016-11-01

A method we developed recently for the reconstruction of the initial density field in the nearby universe is applied to the Sloan Digital Sky Survey Data Release 7. A high-resolution N-body constrained simulation (CS) of the reconstructed initial conditions, with 30723 particles evolved in a 500 {h}-1 {Mpc} box, is carried out and analyzed in terms of the statistical properties of the final density field and its relation with the distribution of Sloan Digital Sky Survey galaxies. We find that the statistical properties of the cosmic web and the halo populations are accurately reproduced in the CS. The galaxy density field is strongly correlated with the CS density field, with a bias that depends on both galaxy luminosity and color. Our further investigations show that the CS provides robust quantities describing the environments within which the observed galaxies and galaxy systems reside. Cosmic variance is greatly reduced in the CS so that the statistical uncertainties can be controlled effectively, even for samples of small volumes.

Searching for a dark photon with DarkLight

NASA Astrophysics Data System (ADS)

Corliss, R.; DarkLight Collaboration

2017-09-01

Despite compelling astrophysical evidence for the existence of dark matter in the universe, we have yet to positively identify it in any terrestrial experiment. If such matter is indeed particle in nature, it may have a new interaction as well, carried by a dark counterpart to the photon. The DarkLight experiment proposes to search for such a beyond-the-standard-model dark photon through complete reconstruction of the final states of electron-proton collisions. In order to accomplish this, the experiment requires a moderate-density target and a very high intensity, low energy electron beam. I describe DarkLight's approach and focus on the implications this has for the design of the experiment, which centers on the use of an internal gas target in Jefferson Lab's Low Energy Recirculating Facility. I also discuss upcoming beam tests, where we will place our target and solenoidal magnet in the beam for the first time.

Evaluation of the Faraday angle by numerical methods and comparison with the Tore Supra and JET polarimeter electronics.

PubMed

Brault, C; Gil, C; Boboc, A; Spuig, P

2011-04-01

On the Tore Supra tokamak, a far infrared polarimeter diagnostic has been routinely used for diagnosing the current density by measuring the Faraday rotation angle. A high precision of measurement is needed to correctly reconstruct the current profile. To reach this precision, electronics used to compute the phase and the amplitude of the detected signals must have a good resilience to the noise in the measurement. In this article, the analogue card's response to the noise coming from the detectors and their impact on the Faraday angle measurements are analyzed, and we present numerical methods to calculate the phase and the amplitude. These validations have been done using real signals acquired by Tore Supra and JET experiments. These methods have been developed to be used in real-time in the future numerical cards that will replace the Tore Supra present analogue ones. © 2011 American Institute of Physics

Density reconstruction in multiparameter elastic full-waveform inversion

NASA Astrophysics Data System (ADS)

Sun, Min'ao; Yang, Jizhong; Dong, Liangguo; Liu, Yuzhu; Huang, Chao

2017-12-01

Elastic full-waveform inversion (EFWI) is a quantitative data fitting procedure that recovers multiple subsurface parameters from multicomponent seismic data. As density is involved in addition to P- and S-wave velocities, the multiparameter EFWI suffers from more serious tradeoffs. In addition, compared with P- and S-wave velocities, the misfit function is less sensitive to density perturbation. Thus, a robust density reconstruction remains a difficult problem in multiparameter EFWI. In this paper, we develop an improved scattering-integral-based truncated Gauss-Newton method to simultaneously recover P- and S-wave velocities and density in EFWI. In this method, the inverse Gauss-Newton Hessian has been estimated by iteratively solving the Gauss-Newton equation with a matrix-free conjugate gradient algorithm. Therefore, it is able to properly handle the parameter tradeoffs. To give a detailed illustration of the tradeoffs between P- and S-wave velocities and density in EFWI, wavefield-separated sensitivity kernels and the Gauss-Newton Hessian are numerically computed, and their distribution characteristics are analyzed. Numerical experiments on a canonical inclusion model and a modified SEG/EAGE Overthrust model have demonstrated that the proposed method can effectively mitigate the tradeoff effects, and improve multiparameter gradients. Thus, a high convergence rate and an accurate density reconstruction can be achieved.

Statistical density modification using local pattern matching

DOEpatents

Terwilliger, Thomas C.

2007-01-23

A computer implemented method modifies an experimental electron density map. A set of selected known experimental and model electron density maps is provided and standard templates of electron density are created from the selected experimental and model electron density maps by clustering and averaging values of electron density in a spherical region about each point in a grid that defines each selected known experimental and model electron density maps. Histograms are also created from the selected experimental and model electron density maps that relate the value of electron density at the center of each of the spherical regions to a correlation coefficient of a density surrounding each corresponding grid point in each one of the standard templates. The standard templates and the histograms are applied to grid points on the experimental electron density map to form new estimates of electron density at each grid point in the experimental electron density map.

Undergraduates improve upon published crystal structure in class assignment.

PubMed

Horowitz, Scott; Koldewey, Philipp; Bardwell, James C

2014-01-01

Recently, 57 undergraduate students at the University of Michigan were assigned the task of solving a crystal structure, given only the electron density map of a 1.3 Å crystal structure from the electron density server, and the position of the N-terminal amino acid. To test their knowledge of amino acid chemistry, the students were not given the protein sequence. With minimal direction from the instructor on how the students should complete the assignment, the students fared remarkably well in this task, with over half the class able to reconstruct the original sequence with over 77% sequence identity, and with structures whose median ranked in the 91(st) percentile of all structures of comparable resolution in terms of structure quality. Fourteen percent of the students' structures produced Molprobity steric clash validation scores even better than that of the original structure, suggesting that multiple students achieved an improvement in the overall structure quality compared to the published structure. Students were able to delineate limiting case chemical environments, such as charged interactions or complete solvent exposure, but were less able to distinguish finer details of hydrogen bonding or hydrophobicity. Our results prompt several questions: why were students able to perform so well in their structural validation scores? How were some students able to outperform the 88% sequence identity mark that would constitute a perfect score, given the level of degenerate density or surface residues with poor density? And how can the methodology used by the best students inform the practices of professional X-ray crystallographers? Copyright © 2014 Wiley Periodicals, Inc.

A Detailed History of Intron-rich Eukaryotic Ancestors Inferred from a Global Survey of 100 Complete Genomes

PubMed Central

Csuros, Miklos; Rogozin, Igor B.; Koonin, Eugene V.

2011-01-01

Protein-coding genes in eukaryotes are interrupted by introns, but intron densities widely differ between eukaryotic lineages. Vertebrates, some invertebrates and green plants have intron-rich genes, with 6–7 introns per kilobase of coding sequence, whereas most of the other eukaryotes have intron-poor genes. We reconstructed the history of intron gain and loss using a probabilistic Markov model (Markov Chain Monte Carlo, MCMC) on 245 orthologous genes from 99 genomes representing the three of the five supergroups of eukaryotes for which multiple genome sequences are available. Intron-rich ancestors are confidently reconstructed for each major group, with 53 to 74% of the human intron density inferred with 95% confidence for the Last Eukaryotic Common Ancestor (LECA). The results of the MCMC reconstruction are compared with the reconstructions obtained using Maximum Likelihood (ML) and Dollo parsimony methods. An excellent agreement between the MCMC and ML inferences is demonstrated whereas Dollo parsimony introduces a noticeable bias in the estimations, typically yielding lower ancestral intron densities than MCMC and ML. Evolution of eukaryotic genes was dominated by intron loss, with substantial gain only at the bases of several major branches including plants and animals. The highest intron density, 120 to 130% of the human value, is inferred for the last common ancestor of animals. The reconstruction shows that the entire line of descent from LECA to mammals was intron-rich, a state conducive to the evolution of alternative splicing. PMID:21935348

Imaging Global Electron Content backwards in time more than 160 years ago

NASA Astrophysics Data System (ADS)

Gulyaeva, T. L.; Veselovsky, I. S.

2014-02-01

The Global Electron Content, GEC, represents the total number of electrons in the spherical layer over the Earth restricted by orbit of Global Positioning Satellite system (20,200 km). GEC is produced from Global Ionospheric Map of Total Electron Content, GIM-TEC, transformed to the electron density varying with height using the International Reference Ionosphere and Plasmasphere model, IRI-Plas. The climatologic GEC model is developed from GIM-TEC maps for a period 1999-2012 including the solar activity, annual and semiannual cycles as the most important factors affecting daily GEC variation. The proxy Rzp of the international sunspot numbers, Ri, is used as a measure of solar activity composed of 3 day smoothed Ri, 7 day and 81 day backwards mean of Ri scaled to the range of 1-40 proxy units, p.u. The root mean square error of the GEC climatologic model is found to vary from 8% to 13% of GEC. Taking advantage of a long history of sunspot numbers, the climatologic GEC model is applied for GEC reconstruction backwards in time for more than 160 years ago since 1850. The extended set of GEC values provides the numerical representation of the ionosphere and plasmasphere electron content coherent with variations of solar activity as a potential proxy index driving the ionosphere models.

Retrospective Reconstruction of Radiation Doses of Chernobyl Liquidators by Electron Paramagnetic Resonance

DTIC Science & Technology

1997-12-01

Armed Forces Rad I Research Institute Retrospective Reconstruction of Radiation Doses of Chernobyl Liquidators by Electron Paramagnetic Resonance A...of Radiation Doses of Chernobyl Liquidators by Electron Paramagnetic Resonance Authored by Scientific Center of Radiation Medicine Academy of Medical...libraries associated with the U.S. Government’s Depository Library System. Preface On April 26, 1986, Reactor #4 at the Chernobyl Nuclear Power Plant near

3D-measurement using a scanning electron microscope with four Everhart-Thornley detectors

NASA Astrophysics Data System (ADS)

Vynnyk, Taras; Scheuer, Renke; Reithmeier, Eduard

2011-06-01

Due to the emerging degree of miniaturization in microstructures, Scanning-Electron-Microscopes (SEM) have become important instruments in the quality assurance of chip manufacturing. With a two- or multiple detector system for secondary electrons, a SEM can be used for the reconstruction of three dimensional surface profiles. Although there are several projects dealing with the reconstruction of three dimensional surfaces using electron microscopes with multiple Everhart-Thornley detectors (ETD), there is no profound knowledge of the behaviour of emitted electrons. Hence, several values, which are used for reconstruction algorithms, such as the photometric method, are only estimates; for instance, the exact collection efficiency of the ETD, which is still unknown. This paper deals with the simulation of electron trajectories in a one-, two- and four-detector system with varying working distances and varying grid currents. For each detector, the collection efficiency is determined by taking the working distance and grid current into account. Based on the gathered information, a new collection grid, which provides a homogenous emission signal for each detector of a multiple detector system, is developed. Finally, the results of the preceding tests are utilized for a reconstruction of a three dimensional surface using the photometric method with a non-lambert intensity distribution.

Automated discrete electron tomography - Towards routine high-fidelity reconstruction of nanomaterials.

PubMed

Zhuge, Xiaodong; Jinnai, Hiroshi; Dunin-Borkowski, Rafal E; Migunov, Vadim; Bals, Sara; Cool, Pegie; Bons, Anton-Jan; Batenburg, Kees Joost

2017-04-01

Electron tomography is an essential imaging technique for the investigation of morphology and 3D structure of nanomaterials. This method, however, suffers from well-known missing wedge artifacts due to a restricted tilt range, which limits the objectiveness, repeatability and efficiency of quantitative structural analysis. Discrete tomography represents one of the promising reconstruction techniques for materials science, potentially capable of delivering higher fidelity reconstructions by exploiting the prior knowledge of the limited number of material compositions in a specimen. However, the application of discrete tomography to practical datasets remains a difficult task due to the underlying challenging mathematical problem. In practice, it is often hard to obtain consistent reconstructions from experimental datasets. In addition, numerous parameters need to be tuned manually, which can lead to bias and non-repeatability. In this paper, we present the application of a new iterative reconstruction technique, named TVR-DART, for discrete electron tomography. The technique is capable of consistently delivering reconstructions with significantly reduced missing wedge artifacts for a variety of challenging data and imaging conditions, and can automatically estimate its key parameters. We describe the principles of the technique and apply it to datasets from three different types of samples acquired under diverse imaging modes. By further reducing the available tilt range and number of projections, we show that the proposed technique can still produce consistent reconstructions with minimized missing wedge artifacts. This new development promises to provide the electron microscopy community with an easy-to-use and robust tool for high-fidelity 3D characterization of nanomaterials. Copyright © 2017 Elsevier B.V. All rights reserved.

Reconstructing the metric of the local Universe from number counts observations

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

Vallejo, Sergio Andres; Romano, Antonio Enea, E-mail: antonio.enea.romano@cern.ch

Number counts observations available with new surveys such as the Euclid mission will be an important source of information about the metric of the Universe. We compute the low red-shift expansion for the energy density and the density contrast using an exact spherically symmetric solution in presence of a cosmological constant. At low red-shift the expansion is more precise than linear perturbation theory prediction. We then use the local expansion to reconstruct the metric from the monopole of the density contrast. We test the inversion method using numerical calculations and find a good agreement within the regime of validity ofmore » the red-shift expansion. The method could be applied to observational data to reconstruct the metric of the local Universe with a level of precision higher than the one achievable using perturbation theory.« less

Restoration of singularities in reconstructed phase of crystal image in electron holography.

PubMed

Li, Wei; Tanji, Takayoshi

2014-12-01

Off-axis electron holography can be used to measure the inner potential of a specimen from its reconstructed phase image and is thus a powerful technique for materials scientists. However, abrupt reversals of contrast from white to black may sometimes occur in a digitally reconstructed phase image, which results in inaccurate information. Such phase distortion is mainly due to the digital reconstruction process and weak electron wave amplitude in some areas of the specimen. Therefore, digital image processing can be applied to the reconstruction and restoration of phase images. In this paper, fringe reconnection processing is applied to phase image restoration of a crystal structure image. The disconnection and wrong connection of interference fringes in the hologram that directly cause a 2π phase jump imperfection are correctly reconnected. Experimental results show that the phase distortion is significantly reduced after the processing. The quality of the reconstructed phase image was improved by the removal of imperfections in the final phase. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Reconstruction of high temporal resolution Thomson scattering data during a modulated electron cyclotron resonance heating using conditional averaging

NASA Astrophysics Data System (ADS)

Kobayashi, T.; Ida, K.; Itoh, K.; Yoshinuma, M.; Moon, C.; Inagaki, S.; Yamada, I.; Funaba, H.; Yasuhara, R.; Tsuchiya, H.; Ohdachi, S.; Yoshimura, Y.; Igami, H.; Shimozuma, T.; Kubo, S.; Tsujimura, T. I.

2016-04-01

This paper provides a software application of the sampling scope concept for fusion research. The time evolution of Thomson scattering data is reconstructed with a high temporal resolution during a modulated electron cyclotron resonance heating (MECH) phase. The amplitude profile and the delay time profile of the heat pulse propagation are obtained from the reconstructed signal for discharges having on-axis and off-axis MECH depositions. The results are found to be consistent with the MECH deposition.

Reconstruction of high temporal resolution Thomson scattering data during a modulated electron cyclotron resonance heating using conditional averaging

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

Kobayashi, T., E-mail: kobayashi.tatsuya@LHD.nifs.ac.jp; Yoshinuma, M.; Ohdachi, S.

2016-04-15

This paper provides a software application of the sampling scope concept for fusion research. The time evolution of Thomson scattering data is reconstructed with a high temporal resolution during a modulated electron cyclotron resonance heating (MECH) phase. The amplitude profile and the delay time profile of the heat pulse propagation are obtained from the reconstructed signal for discharges having on-axis and off-axis MECH depositions. The results are found to be consistent with the MECH deposition.

Reconstruction of high temporal resolution Thomson scattering data during a modulated electron cyclotron resonance heating using conditional averaging.

PubMed

Kobayashi, T; Ida, K; Itoh, K; Yoshinuma, M; Moon, C; Inagaki, S; Yamada, I; Funaba, H; Yasuhara, R; Tsuchiya, H; Ohdachi, S; Yoshimura, Y; Igami, H; Shimozuma, T; Kubo, S; Tsujimura, T I

2016-04-01

This paper provides a software application of the sampling scope concept for fusion research. The time evolution of Thomson scattering data is reconstructed with a high temporal resolution during a modulated electron cyclotron resonance heating (MECH) phase. The amplitude profile and the delay time profile of the heat pulse propagation are obtained from the reconstructed signal for discharges having on-axis and off-axis MECH depositions. The results are found to be consistent with the MECH deposition.

A neural network approach for image reconstruction in electron magnetic resonance tomography.

PubMed

Durairaj, D Christopher; Krishna, Murali C; Murugesan, Ramachandran

2007-10-01

An object-oriented, artificial neural network (ANN) based, application system for reconstruction of two-dimensional spatial images in electron magnetic resonance (EMR) tomography is presented. The standard back propagation algorithm is utilized to train a three-layer sigmoidal feed-forward, supervised, ANN to perform the image reconstruction. The network learns the relationship between the 'ideal' images that are reconstructed using filtered back projection (FBP) technique and the corresponding projection data (sinograms). The input layer of the network is provided with a training set that contains projection data from various phantoms as well as in vivo objects, acquired from an EMR imager. Twenty five different network configurations are investigated to test the ability of the generalization of the network. The trained ANN then reconstructs two-dimensional temporal spatial images that present the distribution of free radicals in biological systems. Image reconstruction by the trained neural network shows better time complexity than the conventional iterative reconstruction algorithms such as multiplicative algebraic reconstruction technique (MART). The network is further explored for image reconstruction from 'noisy' EMR data and the results show better performance than the FBP method. The network is also tested for its ability to reconstruct from limited-angle EMR data set.

Bayesian Abel Inversion in Quantitative X-Ray Radiography

DOE PAGES

Howard, Marylesa; Fowler, Michael; Luttman, Aaron; ...

2016-05-19

A common image formation process in high-energy X-ray radiography is to have a pulsed power source that emits X-rays through a scene, a scintillator that absorbs X-rays and uoresces in the visible spectrum in response to the absorbed photons, and a CCD camera that images the visible light emitted from the scintillator. The intensity image is related to areal density, and, for an object that is radially symmetric about a central axis, the Abel transform then gives the object's volumetric density. Two of the primary drawbacks to classical variational methods for Abel inversion are their sensitivity to the type andmore » scale of regularization chosen and the lack of natural methods for quantifying the uncertainties associated with the reconstructions. In this work we cast the Abel inversion problem within a statistical framework in order to compute volumetric object densities from X-ray radiographs and to quantify uncertainties in the reconstruction. A hierarchical Bayesian model is developed with a likelihood based on a Gaussian noise model and with priors placed on the unknown density pro le, the data precision matrix, and two scale parameters. This allows the data to drive the localization of features in the reconstruction and results in a joint posterior distribution for the unknown density pro le, the prior parameters, and the spatial structure of the precision matrix. Results of the density reconstructions and pointwise uncertainty estimates are presented for both synthetic signals and real data from a U.S. Department of Energy X-ray imaging facility.« less

The topside ionospheric effective scale heights (HT) derived with ROCSAT-1 and ground-based Ionosonde observations at equatorial and mid-latitude stations

NASA Astrophysics Data System (ADS)

Ram Sudarsanam, Tulasi; Su, Shin-Yi; Liu, C. H.; Reinisch, Bodo

In this study, we propose the assimilation of topside in situ electron density data from ROCSAT-1 satellite along with the ionosonde measurements for accurate determination of topside iono-spheric effective scale heights (HT) using -Chapman function. The reconstructed topside elec-tron density profiles using these scale heights exhibit an excellent similitude with Jicamarca Incoherent Scatter Radar (ISR) profiles, and are much better representations than the existing methods of Reinisch-Huang method and/or the empirical IRI-2007 model. The main advan-tage with this method is that it allows the precise determination of the effective scale height (HT) and the topside electron density profiles at a dense network of ionosonde/digisonde sta-tions where no ISR facilities are available. The demonstration of the method is applied by investigating the diurnal, seasonal and solar activity variations of HT over the dip-equatorial station Jicamarca and the mid-latitude station Grahamstown. The diurnal variation of scale heights over Jicamarca consistently exhibits a morning time descent followed by a minimum around 0700-0800 LT and a pronounced maximum at noon during all the seasons of both high and moderate solar activity periods. Further, the scale heights exhibit a secondary maximum during the post-sunset hours of equinoctial and summer months, whereas the post-sunset peak is absent during the winter months. These typical features are further investigated using the topside ion properties obtained by ROCSAT-1 as well as SAMI2 model simulations. The re-sults consistently indicate that the diurnal variation of the effective scale height (HT) does not closely follow the plasma temperature variation and at equatorial latitudes is largely controlled by the vertical ExB drift.

Morphology of the utricular otolith organ in the toadfish, Opsanus tau.

PubMed

Boyle, Richard; Ehsanian, Reza; Mofrad, Alireza; Popova, Yekaterina; Varelas, Joseph

2018-06-15

The utricle provides the vestibular reflex pathways with the sensory codes of inertial acceleration of self-motion and head orientation with respect to gravity to control balance and equilibrium. Here we present an anatomical description of this structure in the adult oyster toadfish and establish a morphological basis for interpretation of subsequent functional studies. Light, scanning, and transmission electron microscopy techniques were applied to visualize the sensory epithelium at varying levels of detail, its neural innervation and its synaptic organization. Scanning electron microscopy was used to visualize otolith mass and morphological polarization patterns of hair cells. Afferent nerve fibers were visualized following labeling with biocytin, and light microscope images were used to make three-dimensional (3-D) reconstructions of individual labeled afferents to identify dendritic morphology with respect to epithelial location. Transmission electron micrographs were compiled to create a serial 3-D reconstruction of a labeled afferent over a segment of its dendritic field and to examine the cell-afferent synaptic contacts. Major observations are: a well-defined striola, medial and lateral extra-striolar regions with a zonal organization of hair bundles; prominent lacinia projecting laterally; dependence of hair cell density on macular location; narrow afferent dendritic fields that follow the hair bundle polarization; synaptic specializations issued by afferents are typically directed towards a limited number of 7-13 hair cells, but larger dendritic fields in the medial extra-striola can be associated with > 20 hair cells also; and hair cell synaptic bodies can be confined to only an individual afferent or can synapse upon several afferents. © 2018 Wiley Periodicals, Inc.

Latent tracks and associated strain in Al2O3 irradiated with swift heavy ions

NASA Astrophysics Data System (ADS)

O'Connell, J. H.; Rymzhanov, R. A.; Skuratov, V. A.; Volkov, A. E.; Kirilkin, N. S.

2016-05-01

The morphology of latent ion tracks induced by high energy heavy ions in Al2O3 was investigated using a combination of high resolution transmission electron microscopy (HRTEM), exit wave reconstruction, geometric phase analysis and numerical simulations. Single crystal α-Al2O3 crystals were irradiated with 167 MeV Xe ions along the c-axis to fluences between 1 × 1010 and 1 × 1013 cm-2. Planar TEM lamella were prepared by focused ion beam (FIB) and geometrical phase analysis was performed on the phase image of the reconstructed complex electron wave at the specimen exit surface in order to estimate the latent strain around individual track cores. In addition to the experimental data, the material excitation in a SHI track was numerically simulated by combining Monte-Carlo code, describing the excitation of the electronic subsystem, with classical molecular dynamics of the lattice atoms. Experimental and simulation data both showed that the relaxation of the excess lattice energy results in the formation of a cylinder-like disordered region of about 4 nm in diameter consisting of an underdense core surrounded by an overdense shell. Modeling of the passage of a second ion in the vicinity of this disordered region revealed that this damaged area can be restored to a near damage free state. The estimation of a maximal effective distance of recrystallization between the ion trajectories yields values of about 6-6.5 nm which are of the same order of magnitude as those estimated from the saturation density of latent ion tracks detected by TEM.

Sparse sampling and reconstruction for electron and scanning probe microscope imaging

DOEpatents

Anderson, Hyrum; Helms, Jovana; Wheeler, Jason W.; Larson, Kurt W.; Rohrer, Brandon R.

2015-07-28

Systems and methods for conducting electron or scanning probe microscopy are provided herein. In a general embodiment, the systems and methods for conducting electron or scanning probe microscopy with an undersampled data set include: driving an electron beam or probe to scan across a sample and visit a subset of pixel locations of the sample that are randomly or pseudo-randomly designated; determining actual pixel locations on the sample that are visited by the electron beam or probe; and processing data collected by detectors from the visits of the electron beam or probe at the actual pixel locations and recovering a reconstructed image of the sample.

Vectorization with SIMD extensions speeds up reconstruction in electron tomography.

PubMed

Agulleiro, J I; Garzón, E M; García, I; Fernández, J J

2010-06-01

Electron tomography allows structural studies of cellular structures at molecular detail. Large 3D reconstructions are needed to meet the resolution requirements. The processing time to compute these large volumes may be considerable and so, high performance computing techniques have been used traditionally. This work presents a vector approach to tomographic reconstruction that relies on the exploitation of the SIMD extensions available in modern processors in combination to other single processor optimization techniques. This approach succeeds in producing full resolution tomograms with an important reduction in processing time, as evaluated with the most common reconstruction algorithms, namely WBP and SIRT. The main advantage stems from the fact that this approach is to be run on standard computers without the need of specialized hardware, which facilitates the development, use and management of programs. Future trends in processor design open excellent opportunities for vector processing with processor's SIMD extensions in the field of 3D electron microscopy.

Comparison of volumetric bone mineral density in the tibial region of interest for ACL reconstruction.

PubMed

Klein, Scott A; Nyland, John; Caborn, David N M; Kocabey, Yavuz; Nawab, Akbar

2005-12-01

Adequate tibial bone mineral density (BMD) is essential to soft tissue graft fixation during anterior cruciate ligament (ACL) reconstruction. The purpose of this study was to compare volumetric bone plug density measurements at the tibial region of interest for ACL reconstruction using a standardized immersion technique and Archimedes' principle. Cancellous bone cores were harvested from the proximal, middle, and distal metaphyseal regions of the lateral tibia and from the standard tibial tunnel location used for ACL reconstruction of 18 cadaveric specimens. Proximal tibial cores displayed 32.6% greater BMD than middle tibial cores and 31.8% greater BMD than distal tibial cores, but did not differ from the BMD of the tibial tunnel cores. Correlational analysis confirmed that the cancellous BMD in the tibial tunnel related to the cancellous BMD of the proximal and distal lateral tibial metaphysis. In conjunction with its adjacent cortical bone, the cancellous BMD of the region used for standard tibial tunnel placement provides an effective foundation for ACL graft fixation. In tibia with poor BMD, bicortical fixation that incorporates cortical bone from the distal tibial tunnel region is recommended.

Polar Hydra Data Analysis

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Hall, Van Allen

1998-01-01

The science activities are: 1) Hydra is still operating successfully on orbit. 2) A large amount of analysis and discovery has occurred with the Hydra ground data processing this past year. 3) Full interdetector calibration has been implemented and documented. This intercalibration was necessitated by the incorrect installation of bias resistors in the pre-acceleration stage to the electron channeltrons. This had the effect of making the counting efficiency for electrons energy dependent as well as channeltron specific. The nature of the error had no impact on the ion detection efficiency since they have a different bias arrangement. This intercalibration is so effective, that the electron and ion moment densities are routinely produced with a level of agreement better than 20%. 4) The data processing routinely removes glint in the sensors and produces public energy time spectrograms on the web overnight. 6) Routine, but more intensive computer processing codes are operational that determine for electrons and ions, the density, the flow vector, the pressure tensor and the heat flux by numerical integration. These codes use the magnetic field to sustain the quality of their output. To gain access to this high quality magnetic field within our data stream we have monitored Russell's web page for zero levels and timing files (since his data acquisition is not telemetry synchronous) and have a local reconstruction of B for our use. We have also detected a routine anomaly in the magnetometer data stream that we have documented to Chris Russell and developed an editing algorithm to intercept these "hits" and remove them from the geophysical analysis.

TU-A-12A-07: CT-Based Biomarkers to Characterize Lung Lesion: Effects of CT Dose, Slice Thickness and Reconstruction Algorithm Based Upon a Phantom Study

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

Zhao, B; Tan, Y; Tsai, W

2014-06-15

Purpose: Radiogenomics promises the ability to study cancer tumor genotype from the phenotype obtained through radiographic imaging. However, little attention has been paid to the sensitivity of image features, the image-based biomarkers, to imaging acquisition techniques. This study explores the impact of CT dose, slice thickness and reconstruction algorithm on measuring image features using a thorax phantom. Methods: Twentyfour phantom lesions of known volume (1 and 2mm), shape (spherical, elliptical, lobular and spicular) and density (-630, -10 and +100 HU) were scanned on a GE VCT at four doses (25, 50, 100, and 200 mAs). For each scan, six imagemore » series were reconstructed at three slice thicknesses of 5, 2.5 and 1.25mm with continuous intervals, using the lung and standard reconstruction algorithms. The lesions were segmented with an in-house 3D algorithm. Fifty (50) image features representing lesion size, shape, edge, and density distribution/texture were computed. Regression method was employed to analyze the effect of CT dose, slice of thickness and reconstruction algorithm on these features adjusting 3 confounding factors (size, density and shape of phantom lesions). Results: The coefficients of CT dose, slice thickness and reconstruction algorithm are presented in Table 1 in the supplementary material. No significant difference was found between the image features calculated on low dose CT scans (25mAs and 50mAs). About 50% texture features were found statistically different between low doses and high doses (100 and 200mAs). Significant differences were found for almost all features when calculated on 1.25mm, 2.5mm, and 5mm slice thickness images. Reconstruction algorithms significantly affected all density-based image features, but not morphological features. Conclusions: There is a great need to standardize the CT imaging protocols for radiogenomics study because CT dose, slice thickness and reconstruction algorithm impact quantitative image features to various degrees as our study has shown.« less

Image improvement and three-dimensional reconstruction using holographic image processing

NASA Technical Reports Server (NTRS)

Stroke, G. W.; Halioua, M.; Thon, F.; Willasch, D. H.

1977-01-01

Holographic computing principles make possible image improvement and synthesis in many cases of current scientific and engineering interest. Examples are given for the improvement of resolution in electron microscopy and 3-D reconstruction in electron microscopy and X-ray crystallography, following an analysis of optical versus digital computing in such applications.

3D image reconstruction algorithms for cryo-electron-microscopy images of virus particles

NASA Astrophysics Data System (ADS)

Doerschuk, Peter C.; Johnson, John E.

2000-11-01

A statistical model for the object and the complete image formation process in cryo electron microscopy of viruses is presented. Using this model, maximum likelihood reconstructions of the 3D structure of viruses are computed using the expectation maximization algorithm and an example based on Cowpea mosaic virus is provided.

Reconstructing Michel Electrons in the MicroBooNE Detector

NASA Astrophysics Data System (ADS)

Caratelli, David

2016-03-01

MicroBooNE is a Liquid Argon Time Projection Chamber (LArTPC) neutrino detector located in the Booster Neutrino Beamline at Fermilab which began collecting neutrino data in October 2015. MicroBooNE aims to explore the low-energy excess in the νe spectrum reported by MiniBooNE as well as perform ν-Ar cross-section measurements. In this talk, we present the current status of reconstructing Michel electrons from cosmic ray muons in the MicroBooNE detector. These Michel electrons are distributed uniformly inside the detector, and serve as a natural and powerful calibration source to study the detector's response for low energy (10s of MeV) interactions as a function of position. We have developed a reconstruction software tool to successfully identify such Michel electrons which could be of benefit to LArTPC experiments generically.

Dual energy approach for cone beam artifacts correction

NASA Astrophysics Data System (ADS)

Han, Chulhee; Choi, Shinkook; Lee, Changwoo; Baek, Jongduk

2017-03-01

Cone beam computed tomography systems generate 3D volumetric images, which provide further morphological information compared to radiography and tomosynthesis systems. However, reconstructed images by FDK algorithm contain cone beam artifacts when a cone angle is large. To reduce the cone beam artifacts, two-pass algorithm has been proposed. The two-pass algorithm considers the cone beam artifacts are mainly caused by high density materials, and proposes an effective method to estimate error images (i.e., cone beam artifacts images) by the high density materials. While this approach is simple and effective with a small cone angle (i.e., 5 - 7 degree), the correction performance is degraded as the cone angle increases. In this work, we propose a new method to reduce the cone beam artifacts using a dual energy technique. The basic idea of the proposed method is to estimate the error images generated by the high density materials more reliably. To do this, projection data of the high density materials are extracted from dual energy CT projection data using a material decomposition technique, and then reconstructed by iterative reconstruction using total-variation regularization. The reconstructed high density materials are used to estimate the error images from the original FDK images. The performance of the proposed method is compared with the two-pass algorithm using root mean square errors. The results show that the proposed method reduces the cone beam artifacts more effectively, especially with a large cone angle.

Cortactin binding to F-actin revealed by electron microscopy and 3D reconstruction.

PubMed

Pant, Kiran; Chereau, David; Hatch, Victoria; Dominguez, Roberto; Lehman, William

2006-06-16

Cortactin and WASP activate Arp2/3-mediated actin filament nucleation and branching. However, different mechanisms underlie activation by the two proteins, which rely on distinct actin-binding modules and modes of binding to actin filaments. It is generally thought that cortactin binds to "mother" actin filaments, while WASP donates actin monomers to Arp2/3-generated "daughter" filament branches. Interestingly, cortactin also binds WASP in addition to F-actin and the Arp2/3 complex. However, the structural basis for the role of cortactin in filament branching remains unknown, making interpretation difficult. Here, electron microscopy and 3D reconstruction were carried out on F-actin decorated with the actin-binding repeating domain of cortactin, revealing conspicuous density on F-actin attributable to cortactin that is located on a consensus-binding site on subdomain-1 of actin subunits. Strikingly, the binding of cortactin widens the gap between the two long-pitch filament strands. Although other proteins have been found to alter the structure of the filament, the cortactin-induced conformational change appears unique. The results are consistent with a mechanism whereby alterations of the F-actin structure may facilitate recruitment of the Arp2/3 complex to the "mother" filament in the cortex of cells. In addition, cortactin may act as a structural adapter protein, stabilizing nascent filament branches while mediating the simultaneous recruitment of Arp2/3 and WASP.

β -B i2O3 under compression: Optical and elastic properties and electron density topology analysis

NASA Astrophysics Data System (ADS)

Pereira, A. L. J.; Gomis, O.; Sans, J. A.; Contreras-García, J.; Manjón, F. J.; Rodríguez-Hernández, P.; Muñoz, A.; Beltrán, A.

2016-06-01

We report a joint experimental and theoretical study of the optical properties of tetragonal bismuth oxide (β -B i2O3 ) at high pressure by means of optical absorption measurements combined with ab initio electronic band structure calculations. Our results are consistent with previous results that show the presence of a second-order isostructural phase transition in B i2O3 (from β to β') around 2 GPa and a phase transition above 15 GPa combined with a pressure-induced amorphization above 17-20 GPa. In order to further understand the pressure-induced phase transitions and amorphization occurring in β -B i2O3 , we theoretically studied the mechanical and dynamical stability of the tetragonal structures of β - and β'-B i2O3 at high pressure through calculations of their elastic constants, elastic stiffness coefficients, and phonon dispersion curves. The pressure dependence of the elastic stiffness coefficients and phonon dispersion curves confirms that the isostructural phase transition near 2 GPa is of ferroelastic nature. Furthermore, a topological study of the electron density shows that the ferroelastic transition is not caused by a change in number of critical points (cusp catastrophe), but by the equalization of the electron densities of both independent O atoms in the unit cell due to a local rise in symmetry. Finally, from theoretical simulations, β'-B i2O3 is found to be mechanically and dynamically stable at least up to 26.7 GPa under hydrostatic conditions; thus, the pressure-induced amorphization reported above 17-20 GPa in powder β'-B i2O3 using methanol-ethanol-water as pressure-transmitting medium could be related to the frustration of a reconstructive phase transition at room temperature and the presence of mechanical or dynamical instabilities under nonhydrostatic conditions.

Coherent X-Ray Diffraction Imaging of Chloroplasts from Cyanidioschyzon merolae by Using X-Ray Free Electron Laser.

PubMed

Takayama, Yuki; Inui, Yayoi; Sekiguchi, Yuki; Kobayashi, Amane; Oroguchi, Tomotaka; Yamamoto, Masaki; Matsunaga, Sachihiro; Nakasako, Masayoshi

2015-07-01

Coherent X-ray diffraction imaging (CXDI) is a lens-less technique for visualizing the structures of non-crystalline particles with the dimensions of submicrometer to micrometer at a resolution of several tens of nanometers. We conducted cryogenic CXDI experiments at 66 K to visualize the internal structures of frozen-hydrated chloroplasts of Cyanidioschyzon merolae using X-ray free electron laser (XFEL) as a coherent X-ray source. Chloroplast dispersed specimen disks at a number density of 7/(10×10 µm(2)) were flash-cooled with liquid ethane without staining, sectioning or chemical labeling. Chloroplasts are destroyed at atomic level immediately after the diffraction by XFEL pulses. Thus, diffraction patterns with a good signal-to-noise ratio from single chloroplasts were selected from many diffraction patterns collected through scanning specimen disks to provide fresh specimens into the irradiation area. The electron density maps of single chloroplasts projected along the direction of the incident X-ray beam were reconstructed by using the iterative phase-retrieval method and multivariate analyses. The electron density map at a resolution of 70 nm appeared as a C-shape. In addition, the fluorescence image of proteins stained with Flamingo™ dye also appeared as a C-shape as did the autofluorescence from Chl. The similar images suggest that the thylakoid membranes with an abundance of proteins distribute along the outer membranes of chloroplasts. To confirm the present results statistically, a number of projection structures must be accumulated through high-throughput data collection in the near future. Based on the results, we discuss the feasibility of XFEL-CXDI experiments in the structural analyses of cellular organelles. © The Author 2015. Published by Oxford University Press on behalf of Japanese Society of Plant Physiologists. All rights reserved. For permissions, please email: journals.permissions@oup.com.

2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements.

PubMed

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

2014-11-01

Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (∼1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ∼0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particle transport flux and its spatial distribution are resolved.

2D image of local density and magnetic fluctuations from line-integrated interferometry-polarimetry measurements

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

Lin, L., E-mail: lianglin@ucla.edu; Ding, W. X.; Brower, D. L.

2014-11-15

Combined polarimetry-interferometry capability permits simultaneous measurement of line-integrated density and Faraday effect with fast time response (∼1 μs) and high sensitivity. Faraday effect fluctuations with phase shift of order 0.05° associated with global tearing modes are resolved with an uncertainty ∼0.01°. For physics investigations, local density fluctuations are obtained by inverting the line-integrated interferometry data. The local magnetic and current density fluctuations are then reconstructed using a parameterized fit of the polarimetry data. Reconstructed 2D images of density and magnetic field fluctuations in a poloidal cross section exhibit significantly different spatial structure. Combined with their relative phase, the magnetic-fluctuation-induced particlemore » transport flux and its spatial distribution are resolved.« less

A Theoretical Study of Bulk and Surface Diffusion Processes for Semiconductor Materials Using First Principles Calculations

NASA Astrophysics Data System (ADS)

Roehl, Jason L.

Diffusion of point defects on crystalline surfaces and in their bulk is an important and ubiquitous phenomenon affecting film quality, electronic properties and device functionality. A complete understanding of these diffusion processes enables one to predict and then control those processes. Such understanding includes knowledge of the structural, energetic and electronic properties of these native and non-native point defect diffusion processes. Direct experimental observation of the phenomenon is difficult and microscopic theories of diffusion mechanisms and pathways abound. Thus, knowing the nature of diffusion processes, of specific point defects in given materials, has been a challenging task for analytical theory as well as experiment. The recent advances in computing technology have been a catalyst for the rise of a third mode of investigation. The advent of tremendous computing power, breakthroughs in algorithmic development in computational applications of electronic density functional theory now enables direct computation of the diffusion process. This thesis demonstrates such a method applied to several different examples of point defect diffusion on the (001) surface of gallium arsenide (GaAs) and the bulk of cadmium telluride (CdTe) and cadmium sulfide (CdS). All results presented in this work are ab initio, total-energy pseudopotential calculations within the local density approximation to density-functional theory. Single particle wavefunctions were expanded in a plane-wave basis and reciprocal space k-point sampling was achieved by Monkhorst-Pack generated k-point grids. Both surface and bulk computations employed a supercell approach using periodic boundary conditions. Ga adatom adsorption and diffusion processes were studied on two reconstructions of the GaAs(001) surface including the c(4x4) and c(4x4)-heterodimer surface reconstructions. On the GaAs(001)- c(4x4) surface reconstruction, two distinct sets of minima and transition sites were discovered for a Ga adatom relaxing from heights of 3 and 0.5 A from the surface. These two sets show significant differences in the interaction of the Ga adatom with surface As dimers and an electronic signature of the differences in this interaction was identified. The energetic barriers to diffusion were computed between various adsorption sites. Diffusion profiles for native Cd and S, adatom and vacancy, and non-native interstitial adatoms of Te, Cu and Cl were investigated in bulk wurtzite CdS. The interstitial diffusion paths considered in this work were chosen parallel to c-axis as it represents the path encountered by defects diffusing from the CdTe layer. Because of the lattice mismatch between zinc-blende CdTe and hexagonal wurtzite CdS, the c-axis in CdS is normal to the CdTe interface. The global minimum and maximum energy positions in the bulk unit cell vary for different diffusing species. This results in a significant variation, in the bonding configurations and associated strain energies of different extrema positions along the diffusion paths for various defects. The diffusion barriers range from a low of 0.42 eV for an S interstitial to a high of 2.18 eV for a S vacancy. The computed 0.66 eV barrier for a Cu interstitial is in good agreement with experimental values in the range of 0.58 - 0.96 eV reported in the literature. There exists an electronic signature in the local density of states for the s- and d-states of the Cu interstitial at the global maximum and global minimum energy position. The work presented in this thesis is an investigation into diffusion processes for semiconductor bulk and surfaces. The work provides information about these processes at a level of control unavailable experimentally giving an elaborate description into physical and electronic properties associated with diffusion at its most basic level. Not only does this work provide information about GaAs, CdTe and CdS, it is intended to contribute to a foundation of knowledge that can be extended to other systems to expand our overall understanding into the diffusion process. (Abstract shortened by UMI.)

Quantitative photoacoustic imaging in the acoustic regime using SPIM

NASA Astrophysics Data System (ADS)

Beigl, Alexander; Elbau, Peter; Sadiq, Kamran; Scherzer, Otmar

2018-05-01

While in standard photoacoustic imaging the propagation of sound waves is modeled by the standard wave equation, our approach is based on a generalized wave equation with variable sound speed and material density, respectively. In this paper we present an approach for photoacoustic imaging, which in addition to the recovery of the absorption density parameter, the imaging parameter of standard photoacoustics, also allows us to reconstruct the spatially varying sound speed and density, respectively, of the medium. We provide analytical reconstruction formulas for all three parameters based in a linearized model based on single plane illumination microscopy (SPIM) techniques.

Amplitude of primeval fluctuations from cosmological mass density reconstructions

NASA Technical Reports Server (NTRS)

Seljak, Uros; Bertschinger, Edmund

1994-01-01

We use the POTENT reconstruction of the mass density field in the nearby universe to estimate the amplitude of the density fluctuation power spectrum for various cosmological models. We find that sigma(sub 8) Omega(sub m sup 0.6) = 1.3(sub -0.3 sup +0.4), almost independently of the power spectrum. This value agrees well with the Cosmic Background Explorer (COBE) normalization for the standard cold dark matter model, while alternative models predict an excessive amplitude compared with COBE. Flat, low Omega(sub m) models and tilted models with spectral index n less than 0.8 are particularly discordant.

Electrostatic Fluxes and Plasma Rotation in the Edge Region of EXTRAP-T2R

NASA Astrophysics Data System (ADS)

Serianni, G.; Antoni, V.; Bergsåker, H.; Brunsell, P.; Drake, J. R.; Spolaore, M.; Sätherblom, H. E.; Vianello, N.

2001-10-01

The EXTRAP-T2 reversed field pinch has undergone a significant reconstruction into the new T2R device. This paper reports the first measurements performed with Langmuir probes in the edge region of EXTRAP-T2R. The radial profiles of plasma parameters like electron density and temperature, plasma potential, electrical fields and electrostatic turbulence-driven particle flux are presented. These profiles are interpreted in a momentum balance model where finite Larmor radius losses occur over a distance of about two Larmor radii from the limiter position. The double shear layer of the E×B drift velocity is discussed in terms of the Biglari-Diamond-Terry theory of turbulence decorrelation.

Nanoscale strain mapping in battery nanostructures

NASA Astrophysics Data System (ADS)

Ulvestad, A.; Cho, H. M.; Harder, R.; Kim, J. W.; Dietze, S. H.; Fohtung, E.; Meng, Y. S.; Shpyrko, O. G.

2014-02-01

Coherent x-ray diffraction imaging is used to map the local three dimensional strain inhomogeneity and electron density distribution of two individual LiNi0.5Mn1.5O4-δ cathode nanoparticles in both ex-situ and in-situ environments. Our reconstructed images revealed a maximum strain of 0.4%. We observed different variations in strain inhomogeneity due to multiple competing effects. The compressive/tensile component of the strain is connected to the local lithium content and, on the surface, interpreted in terms of a local Jahn-Teller distortion of Mn3+. Finally, the measured strain distributions are discussed in terms of their impact on competing theoretical models of the lithiation process.

Some methods to regulate low-bias negative differential resistance in σ barrier separating nanoscale molecular transport systems

NASA Astrophysics Data System (ADS)

Shen, Ji-Mei; Liu, Jing; Min, Yi; Zhou, Li-Ping

2016-12-01

Using the first-principles method which combines the nonequilibrium Green’s function (NEGF) with density functional theory (DFT), the role of defect, dopant, barrier length and geometric deformation for low-bias negative differential resistance (NDR) in two capped armchair carbon nanotubes (CNTs) sandwiching σ barrier are systematically analyzed. We found that this method can regulate the negative differential resistance (NDR) effects such as current peak and peak position. The adjusting mechanism may originate from orbital interaction and orbital reconstruction. Our calculations try to manipulate the transport characteristics in energy space by simply manipulating the structure in real space, which may promise the potential applications in nanomolecular-electronics in the future.

Shift of semimetal-semiconductor bond direction on “0 1 1” to “1 1 1” Bismuth quazi-two-dimension system

NASA Astrophysics Data System (ADS)

Yazdani, Ahmad; Hamreh, Sajad

2018-03-01

The electronic structure of the nanocrystallines and quasi-two-dimensional systems strongly impressed by the thermodynamic- behavior mainly due to excess of hidden surface free energy. Therefore, the stability of crystalline structure’s change could be related to band-offset of bond rupturing of atomic displacements. whereas for the electronic-structure of "Bi" it seams the competition of L.S and bond exchange should be effectively dominated. Besides all of the characters behave spatial like strong sensitive oxidation here it is supposed that strong correlated electronic structure in the absence of oxygen is resulted on direction of redistribution of surface chemical bond formation before any reconstructive structure. Where • The metallic direction of electronic structure “0 1 1” is changed to “1 1 1” semiconductor direction. • the effect of L.S is more evident on the local density of state while it is not observable around the fermi level. • Strong effect of spin-orbit interaction on splitting of the valance to nearly conduction band around the fermi level is more evident.

Simulation of MST tokamak discharges with resonant magnetic perturbations

NASA Astrophysics Data System (ADS)

Cornille, B. S.; Sovinec, C. R.; Chapman, B. E.; Dubois, A.; McCollam, K. J.; Munaretto, S.

2016-10-01

Nonlinear MHD modeling of MST tokamak plasmas with an applied resonant magnetic perturbation (RMP) reveals degradation of flux surfaces that may account for the experimentally observed suppression of runaway electrons with the RMP. Runaway electrons are routinely generated in MST tokamak discharges with low plasma density. When an m = 3 RMP is applied these electrons are strongly suppressed, while an m = 1 RMP of comparable amplitude has little effect. The computations are performed using the NIMROD code and use reconstructed equilibrium states of MST tokamak plasmas with q (0) < 1 and q (a) = 2.2 . Linear computations show that the (1 , 1) -kink and (2 , 2) -tearing modes are unstable, and nonlinear simulations produce sawtoothing with a period of approximately 0.5 ms, which is comparable to the period of MHD activity observed experimentally. Adding an m = 3 RMP in the computation degrades flux surfaces in the outer region of the plasma, while no degradation occurs with an m = 1 RMP. The outer flux surface degradation with the m = 3 RMP, combined with the sawtooth-induced distortion of flux surfaces in the core, may account for the observed suppression of runaway electrons. Work supported by DOE Grant DE-FC02-08ER54975.

Primary energy reconstruction from the charged particle densities recorded at 500 m distance from shower core with the KASCADE-Grande detector

NASA Astrophysics Data System (ADS)

Toma, G.; Apel, W. D.; Arteaga, J. C.; Bekk, K.; Bertaina, M.; Blümer, J.; Bozdog, H.; Brâncuş, I. M.; Buchholz, P.; Cantoni, E.; Chiavassa, A.; Cossavella, F.; Daumiller, K.; de Souza, V.; di Pierro, F.; Doll, P.; Engel, R.; Engler, J.; Finger, M.; Fuhrmann, D.; Ghia, P. L.; Gils, H. J.; Glasstetter, R.; Grupen, C.; Haungs, A.; Heck, D.; Hörandel, J. R.; Huege, T.; Isar, P. G.; Kampert, K.-H.; Kang, D.; Kickelbick, D.; Klages, H. O.; Link, K.; Łuczak, P.; Ludwig, M.; Mathes, H. J.; Mayer, H. J.; Melissas, M.; Milke, J.; Mitrică, B.; Morello, C.; Navarra, G.; Nehls, S.; Oehlschläger, J.; Ostapchenko, S.; Over, S.; Palmieri, N.; Petcu, M.; Pierog, T.; Rebel, H.; Roth, M.; Schieler, H.; Schröder, F. G.; Sima, O.; Trinchero, G. C.; Ulrich, H.; Weindl, A.; Wochele, J.; Wommer, M.; Zabierowski, J.

2011-05-01

Previous EAS investigations have shown that for a fixed primary energy the charged particle density becomes independent of the primary mass at certain (fixed) distances from the shower axis. This feature can be used as an estimator for the primary energy. We present results on the reconstruction of the primary energy spectrum of cosmic rays from the experimentally recorded S(500) observable (the density of charged particles at a distance of 500 m to the shower core as measured in a plane normal to the shower axis) using the KASCADE-Grande detector array. The KASCADE-Grande experiment is hosted by the Karlsruhe Institute for Technology - Campus North, Karlsruhe, Germany, 110 m a.s.l. and operated by an international collaboration. The obtained primary energy spectrum is presented along with the result of another reconstruction technique presently employed at KASCADE-Grande.

Sci—Thur AM: YIS - 08: Constructing an Attenuation map for a PET/MR Breast coil

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

Patrick, John C.; Imaging, Lawson Health Research Institute, Knoxville, TN; London Regional Cancer Program, Knoxville, TN

2014-08-15

In 2013, around 23000 Canadian women and 200 Canadian men were diagnosed with breast cancer. An estimated 5100 women and 55 men died from the disease. Using the sensitivity of MRI with the selectivity of PET, PET/MRI combines anatomical and functional information within the same scan and could help with early detection in high-risk patients. MRI requires radiofrequency coils for transmitting energy and receiving signal but the breast coil attenuates PET signal. To correct for this PET attenuation, a 3-dimensional map of linear attenuation coefficients (μ-map) of the breast coil must be created and incorporated into the PET reconstruction process.more » Several approaches have been proposed for building hardware μ-maps, some of which include the use of conventional kVCT and Dual energy CT. These methods can produce high resolution images based on the electron densities of materials that can be converted into μ-maps. However, imaging hardware containing metal components with photons in the kV range is susceptible to metal artifacts. These artifacts can compromise the accuracy of the resulting μ-map and PET reconstruction; therefore high-Z components should be removed. We propose a method for calculating μ-maps without removing coil components, based on megavoltage (MV) imaging with a linear accelerator that has been detuned for imaging at 1.0MeV. Containers of known geometry with F18 were placed in the breast coil for imaging. A comparison between reconstructions based on the different μ-map construction methods was made. PET reconstructions with our method show a maximum of 6% difference over the existing kVCT-based reconstructions.« less

A pseudo-discrete algebraic reconstruction technique (PDART) prior image-based suppression of high density artifacts in computed tomography

NASA Astrophysics Data System (ADS)

Pua, Rizza; Park, Miran; Wi, Sunhee; Cho, Seungryong

2016-12-01

We propose a hybrid metal artifact reduction (MAR) approach for computed tomography (CT) that is computationally more efficient than a fully iterative reconstruction method, but at the same time achieves superior image quality to the interpolation-based in-painting techniques. Our proposed MAR method, an image-based artifact subtraction approach, utilizes an intermediate prior image reconstructed via PDART to recover the background information underlying the high density objects. For comparison, prior images generated by total-variation minimization (TVM) algorithm, as a realization of fully iterative approach, were also utilized as intermediate images. From the simulation and real experimental results, it has been shown that PDART drastically accelerates the reconstruction to an acceptable quality of prior images. Incorporating PDART-reconstructed prior images in the proposed MAR scheme achieved higher quality images than those by a conventional in-painting method. Furthermore, the results were comparable to the fully iterative MAR that uses high-quality TVM prior images.

Cryo-electron microscopy study of bacteriophage T4 displaying anthrax toxin proteins

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

Fokine, Andrei; Bowman, Valorie D.; Battisti, Anthony J.

2007-10-25

The bacteriophage T4 capsid contains two accessory surface proteins, the small outer capsid protein (Soc, 870 copies) and the highly antigenic outer capsid protein (Hoc, 155 copies). As these are dispensable for capsid formation, they can be used for displaying proteins and macromolecular complexes on the T4 capsid surface. Anthrax toxin components were attached to the T4 capsid as a fusion protein of the N-terminal domain of the anthrax lethal factor (LFn) with Soc. The LFn-Soc fusion protein was complexed in vitro with Hoc{sup -}Soc{sup -}T4 phage. Subsequently, cleaved anthrax protective antigen heptamers (PA63){sub 7} were attached to the exposedmore » LFn domains. A cryo-electron microscopy study of the decorated T4 particles shows the complex of PA63 heptamers with LFn-Soc on the phage surface. Although the cryo-electron microscopy reconstruction is unable to differentiate on its own between different proposed models of the anthrax toxin, the density is consistent with a model that had predicted the orientation and position of three LFn molecules bound to one PA63 heptamer.« less

Shedding light on cell compartmentation in the candidate phylum Poribacteria by high resolution visualisation and transcriptional profiling

NASA Astrophysics Data System (ADS)

Jahn, Martin T.; Markert, Sebastian M.; Ryu, Taewoo; Ravasi, Timothy; Stigloher, Christian; Hentschel, Ute; Moitinho-Silva, Lucas

2016-10-01

Assigning functions to uncultivated environmental microorganisms continues to be a challenging endeavour. Here, we present a new microscopy protocol for fluorescence in situ hybridisation-correlative light and electron microscopy (FISH-CLEM) that enabled, to our knowledge for the first time, the identification of single cells within their complex microenvironment at electron microscopy resolution. Members of the candidate phylum Poribacteria, common and uncultivated symbionts of marine sponges, were used towards this goal. Cellular 3D reconstructions revealed bipolar, spherical granules of low electron density, which likely represent carbon reserves. Poribacterial activity profiles were retrieved from prokaryotic enriched sponge metatranscriptomes using simulation-based optimised mapping. We observed high transcriptional activity for proteins related to bacterial microcompartments (BMC) and we resolved their subcellular localisation by combining FISH-CLEM with immunohistochemistry (IHC) on ultra-thin sponge tissue sections. In terms of functional relevance, we propose that the BMC-A region may be involved in 1,2-propanediol degradation. The FISH-IHC-CLEM approach was proven an effective toolkit to combine -omics approaches with functional studies and it should be widely applicable in environmental microbiology.

First-principles study of native defects in bulk Sm2CuO4 and its (001) surface structure

NASA Astrophysics Data System (ADS)

Zheng, Fubao; Zhang, Qinfang; Meng, Qiangqiang; Wang, Baolin; Song, Fengqi; Yunoki, Seiji; Wang, Guanghou

2018-04-01

Using the first-principles calculations based on the density functional theory, we have studied the bulk defect formation and surface structures of Sm2CuO4. To ensure the accuracy of calculations, the spin order of Cu atoms is rechecked and it is the well-known nearest-neighbor antiferromagnetic ground state, which can be attributed to the hole-mediated superexchange through the strong pdσ hybridization interaction between Cu dx2-y2 electron and the neighboring oxygen px (or py) electron. Under each present experimental condition, the Sm vacancy has a very high formation energy and is unlikely to be stable. The Cu vacancy is a shallow acceptor, which is preferred under O-rich conditions, whereas the O vacancy is a donor and energetically favorable under O-poor conditions. To construct its (001) surface structure, CuOO, CuO, and Cu terminated surfaces are found to be most favorable under different experimental conditions. The stable surface structures are always accompanied by significant surface atomic reconstructions and electron charge redistribution, which are intimately correlated to each other.

Cryo-transmission electron tomography of native casein micelles from bovine milk.

PubMed

Trejo, R; Dokland, T; Jurat-Fuentes, J; Harte, F

2011-12-01

Caseins are the principal protein components in milk and an important ingredient in the food industry. In liquid milk, caseins are found as micelles of casein proteins and colloidal calcium nanoclusters. Casein micelles were isolated from raw skim milk by size exclusion chromatography and suspended in milk protein-free serum produced by ultrafiltration (molecular weight cut-off of 3 kDa) of raw skim milk. The micelles were imaged by cryo-electron microscopy and subjected to tomographic reconstruction methods to visualize the 3-dimensional and internal organization of native casein micelles. This provided new insights into the internal architecture of the casein micelle that had not been apparent from prior cryo-transmission electron microscopy studies. This analysis demonstrated the presence of water-filled cavities (∼20 to 30 nm in diameter), channels (diameter greater than ∼5 nm), and several hundred high-density nanoclusters (6 to 12 nm in diameter) within the interior of the micelles. No spherical protein submicellar structures were observed. Copyright © 2011 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Extraordinary epitaxial alignment of graphene islands on Au(111)

NASA Astrophysics Data System (ADS)

Wofford, Joseph M.; Starodub, Elena; Walter, Andrew L.; Nie, Shu; Bostwick, Aaron; Bartelt, Norman C.; Thürmer, Konrad; Rotenberg, Eli; McCarty, Kevin F.; Dubon, Oscar D.

2012-05-01

Pristine, single-crystalline graphene displays a unique collection of remarkable electronic properties that arise from its two-dimensional, honeycomb structure. Using in situ low-energy electron microscopy, we show that when deposited on the (111) surface of Au carbon forms such a structure. The resulting monolayer, epitaxial film is formed by the coalescence of dendritic graphene islands that nucleate at a high density. Over 95% of these islands can be identically aligned with respect to each other and to the Au substrate. Remarkably, the dominant island orientation is not the better lattice-matched 30° rotated orientation but instead one in which the graphene [01] and Au [011] in-plane directions are parallel. The epitaxial graphene film is only weakly coupled to the Au surface, which maintains its reconstruction under the slightly p-type doped graphene. The linear electronic dispersion characteristic of free-standing graphene is retained regardless of orientation. That a weakly interacting, non-lattice matched substrate is able to lock graphene into a particular orientation is surprising. This ability, however, makes Au(111) a promising substrate for the growth of single crystalline graphene films.

Line defects in graphene: How doping affects the electronic and mechanical properties

NASA Astrophysics Data System (ADS)

Berger, Daniel; Ratsch, Christian

2016-06-01

Graphene and carbon nanotubes have extraordinary mechanical and electronic properties. Intrinsic line defects such as local nonhexagonal reconstructions or grain boundaries, however, significantly reduce the tensile strength, but feature exciting electronic properties. Here, we address the properties of line defects in graphene from first principles on the level of full-potential density-functional theory, and assess doping as one strategy to strengthen such materials. We carefully disentangle the global and local effect of doping by comparing results from the virtual crystal approximation with those from local substitution of chemical species, in order to gain a detailed understanding of the breaking and stabilization mechanisms. We find that doping primarily affects the occupation of the frontier orbitals. Occupation through n -type doping or local substitution with nitrogen increases the ultimate tensile strength significantly. In particular, it can stabilize the defects beyond the ultimate tensile strength of the pristine material. We therefore propose this as a key strategy to strengthen graphenic materials. Furthermore, we find that doping and/or applying external stress lead to tunable and technologically interesting metal/semiconductor transitions.

Muscle Activity Map Reconstruction from High Density Surface EMG Signals With Missing Channels Using Image Inpainting and Surface Reconstruction Methods.

PubMed

Ghaderi, Parviz; Marateb, Hamid R

2017-07-01

The aim of this study was to reconstruct low-quality High-density surface EMG (HDsEMG) signals, recorded with 2-D electrode arrays, using image inpainting and surface reconstruction methods. It is common that some fraction of the electrodes may provide low-quality signals. We used variety of image inpainting methods, based on partial differential equations (PDEs), and surface reconstruction methods to reconstruct the time-averaged or instantaneous muscle activity maps of those outlier channels. Two novel reconstruction algorithms were also proposed. HDsEMG signals were recorded from the biceps femoris and brachial biceps muscles during low-to-moderate-level isometric contractions, and some of the channels (5-25%) were randomly marked as outliers. The root-mean-square error (RMSE) between the original and reconstructed maps was then calculated. Overall, the proposed Poisson and wave PDE outperformed the other methods (average RMSE 8.7 μV rms ± 6.1 μV rms and 7.5 μV rms ± 5.9 μV rms ) for the time-averaged single-differential and monopolar map reconstruction, respectively. Biharmonic Spline, the discrete cosine transform, and the Poisson PDE outperformed the other methods for the instantaneous map reconstruction. The running time of the proposed Poisson and wave PDE methods, implemented using a Vectorization package, was 4.6 ± 5.7 ms and 0.6 ± 0.5 ms, respectively, for each signal epoch or time sample in each channel. The proposed reconstruction algorithms could be promising new tools for reconstructing muscle activity maps in real-time applications. Proper reconstruction methods could recover the information of low-quality recorded channels in HDsEMG signals.

3D Reconstruction of SPM Probes by Electron Tomography

NASA Astrophysics Data System (ADS)

Xu, X.; Peng, Y.; Saghi, Z.; Gay, R.; Inkson, B. J.; Möbus, G.

2007-04-01

Three-dimensional morphological and compositional structures of tungsten tips consisting of layered amorphous oxide shell and crystalline W core are reconstructed by electron tomography using both coherent and incoherent imaging modes. The fidelity of the reconstruction is dependent on three criteria, suppression of unwanted crystal orientation contrast in the crystalline core, nonlinear intensity-thickness relations above a certain thickness limit, and artefacts due to missing angular ranges when acquiring a tilt series of images. Annular dark field (ADF), and EDX chemical mapping are discussed as alternatives to standard bright field (BF) TEM imaging.

Liquid argon TPC signal formation, signal processing and reconstruction techniques

NASA Astrophysics Data System (ADS)

Baller, B.

2017-07-01

This document describes a reconstruction chain that was developed for the ArgoNeuT and MicroBooNE experiments at Fermilab. These experiments study accelerator neutrino interactions that occur in a Liquid Argon Time Projection Chamber. Reconstructing the properties of particles produced in these interactions benefits from the knowledge of the micro-physics processes that affect the creation and transport of ionization electrons to the readout system. A wire signal deconvolution technique was developed to convert wire signals to a standard form for hit reconstruction, to remove artifacts in the electronics chain and to remove coherent noise. A unique clustering algorithm reconstructs line-like trajectories and vertices in two dimensions which are then matched to create of 3D objects. These techniques and algorithms are available to all experiments that use the LArSoft suite of software.

Whole-Cell Analysis of Low-Density Lipoprotein Uptake by Macrophages Using STEM Tomography

PubMed Central

Baudoin, Jean-Pierre; Jerome, W. Gray; Kübel, Christian; de Jonge, Niels

2013-01-01

Nanoparticles of heavy materials such as gold can be used as markers in quantitative electron microscopic studies of protein distributions in cells with nanometer spatial resolution. Studying nanoparticles within the context of cells is also relevant for nanotoxicological research. Here, we report a method to quantify the locations and the number of nanoparticles, and of clusters of nanoparticles inside whole eukaryotic cells in three dimensions using scanning transmission electron microscopy (STEM) tomography. Whole-mount fixed cellular samples were prepared, avoiding sectioning or slicing. The level of membrane staining was kept much lower than is common practice in transmission electron microscopy (TEM), such that the nanoparticles could be detected throughout the entire cellular thickness. Tilt-series were recorded with a limited tilt-range of 80° thereby preventing excessive beam broadening occurring at higher tilt angles. The 3D locations of the nanoparticles were nevertheless determined with high precision using computation. The obtained information differed from that obtained with conventional TEM tomography data since the nanoparticles were highlighted while only faint contrast was obtained on the cellular material. Similar as in fluorescence microscopy, a particular set of labels can be studied. This method was applied to study the fate of sequentially up-taken low-density lipoprotein (LDL) conjugated to gold nanoparticles in macrophages. Analysis of a 3D reconstruction revealed that newly up-taken LDL-gold was delivered to lysosomes containing previously up-taken LDL-gold thereby forming onion-like clusters. PMID:23383042

Electronic-Reconstruction-Enhanced Tunneling Conductance at Terrace Edges of Ultrathin Oxide Films.

PubMed

Wang, Lingfei; Kim, Rokyeon; Kim, Yoonkoo; Kim, Choong H; Hwang, Sangwoon; Cho, Myung Rae; Shin, Yeong Jae; Das, Saikat; Kim, Jeong Rae; Kalinin, Sergei V; Kim, Miyoung; Yang, Sang Mo; Noh, Tae Won

2017-11-01

Quantum mechanical tunneling of electrons across ultrathin insulating oxide barriers has been studied extensively for decades due to its great potential in electronic-device applications. In the few-nanometers-thick epitaxial oxide films, atomic-scale structural imperfections, such as the ubiquitously existed one-unit-cell-high terrace edges, can dramatically affect the tunneling probability and device performance. However, the underlying physics has not been investigated adequately. Here, taking ultrathin BaTiO 3 films as a model system, an intrinsic tunneling-conductance enhancement is reported near the terrace edges. Scanning-probe-microscopy results demonstrate the existence of highly conductive regions (tens of nanometers wide) near the terrace edges. First-principles calculations suggest that the terrace-edge geometry can trigger an electronic reconstruction, which reduces the effective tunneling barrier width locally. Furthermore, such tunneling-conductance enhancement can be discovered in other transition metal oxides and controlled by surface-termination engineering. The controllable electronic reconstruction can facilitate the implementation of oxide electronic devices and discovery of exotic low-dimensional quantum phases. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Evolutionary computation applied to the reconstruction of 3-D surface topography in the SEM.

PubMed

Kodama, Tetsuji; Li, Xiaoyuan; Nakahira, Kenji; Ito, Dai

2005-10-01

A genetic algorithm has been applied to the line profile reconstruction from the signals of the standard secondary electron (SE) and/or backscattered electron detectors in a scanning electron microscope. This method solves the topographical surface reconstruction problem as one of combinatorial optimization. To extend this optimization approach for three-dimensional (3-D) surface topography, this paper considers the use of a string coding where a 3-D surface topography is represented by a set of coordinates of vertices. We introduce the Delaunay triangulation, which attains the minimum roughness for any set of height data to capture the fundamental features of the surface being probed by an electron beam. With this coding, the strings are processed with a class of hybrid optimization algorithms that combine genetic algorithms and simulated annealing algorithms. Experimental results on SE images are presented.

Characterization of magnetic field profiles at RFX-mod by Faraday rotation measurements

NASA Astrophysics Data System (ADS)

Auriemma, Fulvio; Brombin, Matteo; Canton, Alessandra; Giudicotti, Leonardo; Innocente, Paolo; Zilli, Enrico

2009-11-01

A multichannel far-infrared (FIR, λ=118.8 μm) polarimeter has been recently upgraded and re-installed on RFX-mod to measure the Faraday rotation angle along five vertical chords. Polarimetric data, associated with electron density profile, allow the reconstruction of the poloidal magnetic field profile. In this work the setup of the diagnostic is presented and the first Faraday rotation measurements are analyzed. The measurements have been performed at plasma current above 1.2 MA and electron density between 2 and 6x10^19 m-3. The actual S/N ratio is slightly lower than the expected one, due to electromagnetic coupling of the detectors with the saddle coils close to the polarimeter position. Due to this limit, only average information in the flat-top phase of the discharge could be so far obtained. The experimental data have been compared with the result of the μ&p equilibrium model [1], showing a good agreement between experiment and model, whereas the main differences are in the external region of the plasma. A different parameterization of the μ=μ0 J.B/B^2 profile has been proposed to enhance the agreement between model and experiment. [0pt] [1] Ortolani and Snack, World Scientific (1993) Singapore

Empirical Orthogonal Function (EOF) Analysis of Storm-Time GPS Total Electron Content Variations

NASA Astrophysics Data System (ADS)

Thomas, E. G.; Coster, A. J.; Zhang, S.; McGranaghan, R. M.; Shepherd, S. G.; Baker, J. B.; Ruohoniemi, J. M.

2016-12-01

Large perturbations in ionospheric density are known to occur during geomagnetic storms triggered by dynamic structures in the solar wind. These ionospheric storm effects have long attracted interest due to their impact on the propagation characteristics of radio wave communications. Over the last two decades, maps of vertically-integrated total electron content (TEC) based on data collected by worldwide networks of Global Positioning System (GPS) receivers have dramatically improved our ability to monitor the spatiotemporal dynamics of prominent storm-time features such as polar cap patches and storm enhanced density (SED) plumes. In this study, we use an empirical orthogonal function (EOF) decomposition technique to identify the primary modes of spatial and temporal variability in the storm-time GPS TEC response at midlatitudes over North America during more than 100 moderate geomagnetic storms from 2001-2013. We next examine the resulting time-varying principal components and their correlation with various geophysical indices and parameters in order to derive an analytical representation. Finally, we use a truncated reconstruction of the EOF basis functions and parameterization of the principal components to produce an empirical representation of the geomagnetic storm-time response of GPS TEC for all magnetic local times local times and seasons at midlatitudes in the North American sector.

Reconstructing Solvent Density of Myoglobin Unit Cell from Proximal Radial Distribution Functions of Amino Acids

NASA Astrophysics Data System (ADS)

Galbraith, Madeline; Lynch, Gc; Pettitt, Bm

Understanding the solvent density around a protein crystal structure is an important step for refining accurate crystal structures for use in dynamics simulations or in free energy calculations. The free energy of solvation has typically been approximated using an implicit continuum solvent model or an all atom MD simulation, with a trade-off between accuracy and computation time. For proteins, using precomputed proximal radial distribution functions (pRDFs) of the solvent to reconstruct solvent density on a grid is much faster than all atom MD simulations and more accurate than using implicit solvent models. MD simulations were run for the 20 common amino acids and pRDFs were calculated for several atom type data sets with and without hydrogens, using atom types representative of amino acid side chain atoms. Preliminary results from reconstructions suggest using a data set with 15 heavy atoms and 3 hydrogen yields results with the lowest error without a tradeoff on time. The results of using precomputed pRDFs to reconstruct the solvent density of water for the myoglobin (pdb ID 2mgk) unit cell quantifies the accuracy of the method in comparison with the crystallographic data. Funding Acknowledgement: This research was funded by the CPRIT Summer Undergraduate Program in Computational Cancer Biology, training Grant award RP 140113 from the Cancer Prevention & Research Institute of Texas (CPRIT).

140 GHz EC waves propagation and absorption for normal/oblique injection on FTU tokamak

NASA Astrophysics Data System (ADS)

Nowak, S.; Airoldi, A.; Bruschi, A.; Buratti, P.; Cirant, S.; Gandini, F.; Granucci, G.; Lazzaro, E.; Panaccione, L.; Ramponi, G.; Simonetto, A.; Sozzi, C.; Tudisco, O.; Zerbini, M.

1999-09-01

Most of the interest in ECRH experiments is linked to the high localization of EC waves absorption in well known portions of the plasma volume. In order to take full advantage of this capability a reliable code has been developed for beam tracing and absorption calculations. The code is particularly important for oblique (poloidal and toroidal) injection, when the absorbing layer is not simply dependent on the position of the EC resonance only. An experimental estimate of the local heating power density is given by the jump in the time derivative of the local electron pressure at the switching ON of the gyrotron power. The evolution of the temperature profile increase (from ECE polychromator) during the nearly adiabatic phase is also considered for ECRH profile reconstruction. An indirect estimate of optical thickness and of the overall absorption coefficient is given by the measure of the residual e.m. power at the tokamak walls. Beam tracing code predictions of the power deposition profile are compared with experimental estimates. The impact of the finite spatial resolution of the temperature diagnostic on profile reconstruction is also discussed.

Fast imaging measurements and modeling of neutral and impurity density on C-2U

NASA Astrophysics Data System (ADS)

Granstedt, Erik; Deng, B.; Dettrick, S.; Gupta, D. K.; Osin, D.; Roche, T.; Zhai, K.; TAE Team

2016-10-01

The C-2U device employed neutral beam injection and end-biasing to sustain an advanced beam-driven Field-Reversed Configuration plasma for 5+ ms, beyond characteristic transport time-scales. Three high-speed, filtered cameras observed visible light emission from neutral hydrogen and impurities, as well as deuterium pellet ablation and compact-toroid injection which were used for auxiliary particle fueling. Careful vacuum practices and titanium gettering successfully reduced neutral recycling from the confinement vessel wall. As a result, a large fraction of the remaining neutrals originate from charge-exchange between the neutral beams and plasma ions. Measured H/D- α emission is used with DEGAS2 neutral particle modeling to reconstruct the strongly non-axissymmetric neutral distribution. This is then used in fast-ion modeling to more accurately estimate their charge-exchange loss rate. Oxygen emission due to electron-impact excitation and charge-exchange recombination has also been measured using fast imaging. Reconstructed emissivity of O4+ is localized on the outboard side of the core plasma near the estimated location of the separatrix inferred by external magnetic measurements. Tri Alpha Energy.

Structure of Adeno-Associated Virus Type 4

PubMed Central

Padron, Eric; Bowman, Valorie; Kaludov, Nikola; Govindasamy, Lakshmanan; Levy, Hazel; Nick, Phillip; McKenna, Robert; Muzyczka, Nicholas; Chiorini, John A.; Baker, Timothy S.; Agbandje-McKenna, Mavis

2005-01-01

Adeno-associated virus (AAV) is a member of the Parvoviridae, belonging to the Dependovirus genus. Currently, several distinct isolates of AAV are in development for use in human gene therapy applications due to their ability to transduce different target cells. The need to manipulate AAV capsids for specific tissue delivery has generated interest in understanding their capsid structures. The structure of AAV type 4 (AAV4), one of the most antigenically distinct serotypes, was determined to 13-Å resolution by cryo-electron microscopy and image reconstruction. A pseudoatomic model was built for the AAV4 capsid by use of a structure-based sequence alignment of its major capsid protein, VP3, with that of AAV2, to which AAV4 is 58% identical and constrained by its reconstructed density envelope. The model showed variations in the surface loops that may account for the differences in receptor binding and antigenicity between AAV2 and AAV4. The AAV4 capsid surface topology also shows an unpredicted structural similarity to that of Aleutian mink disease virus and human parvovirus B19, autonomous members of the genus, despite limited sequence homology. PMID:15795290

Three-dimensional coherent X-ray diffractive imaging of whole frozen-hydrated cells

PubMed Central

Rodriguez, Jose A.; Xu, Rui; Chen, Chien-Chun; Huang, Zhifeng; Jiang, Huaidong; Chen, Allan L.; Raines, Kevin S.; Pryor Jr, Alan; Nam, Daewoong; Wiegart, Lutz; Song, Changyong; Madsen, Anders; Chushkin, Yuriy; Zontone, Federico; Bradley, Peter J.; Miao, Jianwei

2015-01-01

A structural understanding of whole cells in three dimensions at high spatial resolution remains a significant challenge and, in the case of X-rays, has been limited by radiation damage. By alleviating this limitation, cryogenic coherent diffractive imaging (cryo-CDI) can in principle be used to bridge the important resolution gap between optical and electron microscopy in bio-imaging. Here, the first experimental demonstration of cryo-CDI for quantitative three-dimensional imaging of whole frozen-hydrated cells using 8 keV X-rays is reported. As a proof of principle, a tilt series of 72 diffraction patterns was collected from a frozen-hydrated Neospora caninum cell and the three-dimensional mass density of the cell was reconstructed and quantified based on its natural contrast. This three-dimensional reconstruction reveals the surface and internal morphology of the cell, including its complex polarized sub-cellular structure. It is believed that this work represents an experimental milestone towards routine quantitative three-dimensional imaging of whole cells in their natural state with spatial resolutions in the tens of nanometres. PMID:26306199

Experiment to demonstrate separation of Cherenkov and scintillation signals

NASA Astrophysics Data System (ADS)

Caravaca, J.; Descamps, F. B.; Land, B. J.; Wallig, J.; Yeh, M.; Orebi Gann, G. D.

2017-05-01

The ability to separately identify the Cherenkov and scintillation light components produced in scintillating mediums holds the potential for a major breakthrough in neutrino detection technology, allowing development of a large, low-threshold, directional detector with a broad physics program. The CHESS (CHErenkov/Scintillation Separation) experiment employs an innovative detector design with an array of small, fast photomultiplier tubes and state-of-the-art electronics to demonstrate the reconstruction of a Cherenkov ring in a scintillating medium based on photon hit time and detected photoelectron density. This paper describes the physical properties and calibration of CHESS along with first results. The ability to reconstruct Cherenkov rings is demonstrated in a water target, and a time precision of 338 ±12 ps FWHM is achieved. Monte Carlo-based predictions for the ring imaging sensitivity with a liquid scintillator target predict an efficiency for identifying Cherenkov hits of 94 ±1 % and 81 ±1 % in pure linear alkyl benzene (LAB) and LAB loaded with 2 g/L of a fluor, PPO, respectively, with a scintillation contamination of 12 ±1 % and 26 ±1 % .

Three-dimensional coherent X-ray diffractive imaging of whole frozen-hydrated cells

DOE PAGES

Rodriguez, Jose A.; Xu, Rui; Chen, Chien -Chun; ...

2015-09-01

Here, a structural understanding of whole cells in three dimensions at high spatial resolution remains a significant challenge and, in the case of X-rays, has been limited by radiation damage. By alleviating this limitation, cryogenic coherent diffractive imaging (cryo-CDI) can in principle be used to bridge the important resolution gap between optical and electron microscopy in bio-imaging. Here, the first experimental demonstration of cryo-CDI for quantitative three-dimensional imaging of whole frozen-hydrated cells using 8 Kev X-rays is reported. As a proof of principle, a tilt series of 72 diffraction patterns was collected from a frozen-hydrated Neospora caninum cell and themore » three-dimensional mass density of the cell was reconstructed and quantified based on its natural contrast. This three-dimensional reconstruction reveals the surface and internal morphology of the cell, including its complex polarized sub-cellular structure. Finally, it is believed that this work represents an experimental milestone towards routine quantitative three-dimensional imaging of whole cells in their natural state with spatial resolutions in the tens of nanometres.« less

Three-dimensional coherent X-ray diffractive imaging of whole frozen-hydrated cells.

PubMed

Rodriguez, Jose A; Xu, Rui; Chen, Chien-Chun; Huang, Zhifeng; Jiang, Huaidong; Chen, Allan L; Raines, Kevin S; Pryor, Alan; Nam, Daewoong; Wiegart, Lutz; Song, Changyong; Madsen, Anders; Chushkin, Yuriy; Zontone, Federico; Bradley, Peter J; Miao, Jianwei

2015-09-01

A structural understanding of whole cells in three dimensions at high spatial resolution remains a significant challenge and, in the case of X-rays, has been limited by radiation damage. By alleviating this limitation, cryogenic coherent diffractive imaging (cryo-CDI) can in principle be used to bridge the important resolution gap between optical and electron microscopy in bio-imaging. Here, the first experimental demonstration of cryo-CDI for quantitative three-dimensional imaging of whole frozen-hydrated cells using 8 keV X-rays is reported. As a proof of principle, a tilt series of 72 diffraction patterns was collected from a frozen-hydrated Neospora caninum cell and the three-dimensional mass density of the cell was reconstructed and quantified based on its natural contrast. This three-dimensional reconstruction reveals the surface and internal morphology of the cell, including its complex polarized sub-cellular structure. It is believed that this work represents an experimental milestone towards routine quantitative three-dimensional imaging of whole cells in their natural state with spatial resolutions in the tens of nanometres.

3D imaging of nanomaterials by discrete tomography.

PubMed

Batenburg, K J; Bals, S; Sijbers, J; Kübel, C; Midgley, P A; Hernandez, J C; Kaiser, U; Encina, E R; Coronado, E A; Van Tendeloo, G

2009-05-01

The field of discrete tomography focuses on the reconstruction of samples that consist of only a few different materials. Ideally, a three-dimensional (3D) reconstruction of such a sample should contain only one grey level for each of the compositions in the sample. By exploiting this property in the reconstruction algorithm, either the quality of the reconstruction can be improved significantly, or the number of required projection images can be reduced. The discrete reconstruction typically contains fewer artifacts and does not have to be segmented, as it already contains one grey level for each composition. Recently, a new algorithm, called discrete algebraic reconstruction technique (DART), has been proposed that can be used effectively on experimental electron tomography datasets. In this paper, we propose discrete tomography as a general reconstruction method for electron tomography in materials science. We describe the basic principles of DART and show that it can be applied successfully to three different types of samples, consisting of embedded ErSi(2) nanocrystals, a carbon nanotube grown from a catalyst particle and a single gold nanoparticle, respectively.

A Toolbox for Ab Initio 3-D Reconstructions in Single-particle Electron Microscopy

PubMed Central

Voss, Neil R; Lyumkis, Dmitry; Cheng, Anchi; Lau, Pick-Wei; Mulder, Anke; Lander, Gabriel C; Brignole, Edward J; Fellmann, Denis; Irving, Christopher; Jacovetty, Erica L; Leung, Albert; Pulokas, James; Quispe, Joel D; Winkler, Hanspeter; Yoshioka, Craig; Carragher, Bridget; Potter, Clinton S

2010-01-01

Structure determination of a novel macromolecular complex via single-particle electron microscopy depends upon overcoming the challenge of establishing a reliable 3-D reconstruction using only 2-D images. There are a variety of strategies that deal with this issue, but not all of them are readily accessible and straightforward to use. We have developed a “toolbox” of ab initio reconstruction techniques that provide several options for calculating 3-D volumes in an easily managed and tightly controlled work-flow that adheres to standard conventions and formats. This toolbox is designed to streamline the reconstruction process by removing the necessity for bookkeeping, while facilitating transparent data transfer between different software packages. It currently includes procedures for calculating ab initio reconstructions via random or orthogonal tilt geometry, tomograms, and common lines, all of which have been tested using the 50S ribosomal subunit. Our goal is that the accessibility of multiple independent reconstruction algorithms via this toolbox will improve the ease with which models can be generated, and provide a means of evaluating the confidence and reliability of the final reconstructed map. PMID:20018246

Quantitative Tomography for Continuous Variable Quantum Systems

NASA Astrophysics Data System (ADS)

Landon-Cardinal, Olivier; Govia, Luke C. G.; Clerk, Aashish A.

2018-03-01

We present a continuous variable tomography scheme that reconstructs the Husimi Q function (Wigner function) by Lagrange interpolation, using measurements of the Q function (Wigner function) at the Padua points, conjectured to be optimal sampling points for two dimensional reconstruction. Our approach drastically reduces the number of measurements required compared to using equidistant points on a regular grid, although reanalysis of such experiments is possible. The reconstruction algorithm produces a reconstructed function with exponentially decreasing error and quasilinear runtime in the number of Padua points. Moreover, using the interpolating polynomial of the Q function, we present a technique to directly estimate the density matrix elements of the continuous variable state, with only a linear propagation of input measurement error. Furthermore, we derive a state-independent analytical bound on this error, such that our estimate of the density matrix is accompanied by a measure of its uncertainty.

High-efficiency tomographic reconstruction of quantum states by quantum nondemolition measurements

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

Huang, J. S.; Centre for Quantum Technologies and Department of Physics, National University of Singapore, 3 Science Drive 2, Singapore 117542; Wei, L. F.

We propose a high-efficiency scheme to tomographically reconstruct an unknown quantum state by using a series of quantum nondemolition (QND) measurements. The proposed QND measurements of the qubits are implemented by probing the stationary transmissions through a driven dispersively coupled resonator. It is shown that only one kind of QND measurement is sufficient to determine all the diagonal elements of the density matrix of the detected quantum state. The remaining nondiagonal elements can be similarly determined by transferring them to the diagonal locations after a series of unitary operations. Compared with the tomographic reconstructions based on the usual destructive projectivemore » measurements (wherein one such measurement can determine only one diagonal element of the density matrix), the present reconstructive approach exhibits significantly high efficiency. Specifically, our generic proposal is demonstrated by the experimental circuit quantum electrodynamics systems with a few Josephson charge qubits.« less

Developing a bubble number-density paleoclimatic indicator for glacier ice

USGS Publications Warehouse

Spencer, M.K.; Alley, R.B.; Fitzpatrick, J.J.

2006-01-01

Past accumulation rate can be estimated from the measured number-density of bubbles in an ice core and the reconstructed paleotemperature, using a new technique. Density increase and grain growth in polar firn are both controlled by temperature and accumulation rate, and the integrated effects are recorded in the number-density of bubbles as the firn changes to ice. An empirical model of these processes, optimized to fit published data on recently formed bubbles, reconstructs accumulation rates using recent temperatures with an uncertainty of 41% (P < 0.05). For modern sites considered here, no statistically significant trend exists between mean annual temperature and the ratio of bubble number-density to grain number-density at the time of pore close-off; optimum modeled accumulation-rate estimates require an eventual ???2.02 ?? 0.08 (P < 0.05) bubbles per close-off grain. Bubble number-density in the GRIP (Greenland) ice core is qualitatively consistent with independent estimates for a combined temperature decrease and accumulation-rate increase there during the last 5 kyr.

A model for heliospheric flux-ropes

NASA Astrophysics Data System (ADS)

Nieves-Chinchilla, T.; Linton, M.; Vourlidas, A.; Hidalgo, M. A. U.

2017-12-01

This work is presents an analytical flux-rope model, which explores different levels of complexity starting from a circular-cylindrical geometry. The framework of this series of models was established by Nieves-Chinchilla et al. 2016 with the circular-cylindrical analytical flux rope model. The model attempts to describe the magnetic flux rope topology with distorted cross-section as a possible consequence of the interaction with the solar wind. In this model, the flux rope is completely described in a non-orthogonal geometry. The Maxwell equations are solved using tensor calculus consistent with the geometry chosen, invariance along the axial direction, and with the assumption of no radial current density. The model is generalized in terms of the radial and azimuthal dependence of the poloidal current density component and axial current density component. The misalignment between current density and magnetic field is studied in detail for several example profiles of the axial and poloidal current density components. This theoretical analysis provides a map of the force distribution inside of the flux-rope. For reconstruction of the heliospheric flux-ropes, the circular-cylindrical reconstruction technique has been adapted to the new geometry and applied to in situ ICMEs with a flux-rope entrained and tested with cases with clear in situ signatures of distortion. The model adds a piece in the puzzle of the physical-analytical representation of these magnetic structures that should be evaluated with the ultimate goal of reconciling in-situ reconstructions with imaging 3D remote sensing CME reconstructions. Other effects such as axial curvature and/or expansion could be incorporated in the future to fully understand the magnetic structure.

Interaction of diamond (111)-(1 × 1) and (2 × 1) surfaces with OH: a first principles study.

PubMed

Stampfl, C; Derry, T E; Makau, N W

2010-12-01

The properties of hydroxyl groups on C(111)-(1 × 1) and reconstructed (2 × 1) surfaces at different sites and for various coverages are investigated using density functional theory. Out of the adsorption sites considered, i.e. face centred cubic, hexagonal close packed, on-top and bridge sites, the on-top site is the most stable for OH on the C(111)-(1 × 1) surface for all coverages. On the reconstructed (2 × 1) surface the on-top site is the preferred configuration. Adsorption of OH was not stable however at any site on the reconstructed C(111)-(2 × 1) relative to the (1 × 1) surface; thus adsorption of OH leads to the de-reconstruction of the former surface. Both the 0.5 and 1 monolayer (ML) coverages were able to lift the (2 × 1) surface reconstruction. Repulsion between the OH adsorbates on the (1 × 1) surface sets in for coverages greater than 0.5 ML. A general decrease in the work function with increasing OH coverage was observed on both the (1 × 1) and (2 × 1) surfaces relative to the values of their respective clean surfaces. Regarding the electronic structure, O 2p states on the reconstructed (2 × 1) surface are observed at around - 21, - 8.75 , - 5 and - 2.5 eV, while O 2s states are present at - 22.5 eV. On the (1 × 1) surface (for 0.33 ML in the on-top site), O 2p states occurred between - 8 and - 9 eV, - 5 and - 4 eV and at around - 2.5 eV. O 2s states are established between - 22.5 and - 21 eV. The valence band width is 21 eV, and a hybrid 2s/2p state that is characteristic of diamond is located at about 12.5 eV below the valence band minimum.

Inelastic Single Pion Signal Study in T2K νe Appearance using Modified Decay Electron Cut

NASA Astrophysics Data System (ADS)

Iwamoto, Konosuke; T2K Collaboration

2015-04-01

The T2K long-baseline neutrino experiment uses sophisticated selection criteria to identify the neutrino oscillation signals among the events reconstructed in the Super-Kamiokande (SK) detector for νe and νμ appearance and disappearance analyses. In current analyses, charged-current quasi-elastic (CCQE) events are used as the signal reaction in the SK detector because the energy can be precisely reconstructed. This talk presents an approach to increase the statistics of the oscillation analysis by including non-CCQE events with one Michel electron and reconstruct them as the inelastic single pion productions. The increase in statistics, backgrounds to this new process and energy reconstruction implications will be presented with this increased event sample.

Study of ablation and implosion stages in wire arrays using coupled ultraviolet and X-ray probing diagnostics

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

Anderson, A. A.; Ivanov, V. V.; Astanovitskiy, A. L.

2015-11-15

Star and cylindrical wire arrays were studied using laser probing and X-ray radiography at the 1-MA Zebra pulse power generator at the University of Nevada, Reno. The Leopard laser provided backlighting, producing a laser plasma from a Si target which emitted an X-ray probing pulse at the wavelength of 6.65 Å. A spherically bent quartz crystal imaged the backlit wires onto X-ray film. Laser probing diagnostics at the wavelength of 266 nm included a 3-channel polarimeter for Faraday rotation diagnostic and two-frame laser interferometry with two shearing interferometers to study the evolution of the plasma electron density at the ablation and implosionmore » stages. Dynamics of the plasma density profile in Al wire arrays at the ablation stage were directly studied with interferometry, and expansion of wire cores was measured with X-ray radiography. The magnetic field in the imploding plasma was measured with the Faraday rotation diagnostic, and current was reconstructed.« less

Tantalum induced butterfly-like clusters on Si (111)-7 × 7 surface: STM/STS study at low coverage

NASA Astrophysics Data System (ADS)

Shukrynau, Pavel; Mutombo, Pingo; Švec, Martin; Hietschold, Michael; Cháb, Vladimír

2012-02-01

The adsorption of the small amounts of tantalum on Si (111)-7 × 7 reconstructed surface is investigated systematically using scanning tunneling microscopy and tunneling spectroscopy combined with first-principles density functional theory calculations. We find out that the moderate annealing of the Ta covered surface results in the formation of clusters of the butterfly-like shape. The clusters are sporadically distributed over the surface and their density is metal coverage dependent. Filled and empty state STM images of the clusters differ strongly suggesting the existence of covalent bonds within the cluster. Tunneling spectroscopy measurements reveal small energy gap, showing semiconductor-like behavior of the constituent atoms. The cluster model based on experimental images and theoretical calculations has been proposed and discussed. Presented results show that Ta joins the family of adsorbates, that are known to form magic clusters on Si (111)-7 × 7, but its magic cluster has the structural and electronic properties that are different from those reported before.

Tunable phase transition in single-layer TiSe2 via electric field

NASA Astrophysics Data System (ADS)

Liu, Lei; Zhuang, Houlong L.

2018-06-01

Phase transition represents an intriguing physical phenomenon that exists in a number of single-layer transition-metal dichalcogenides. This phenomenon often occurs below a critical temperature and breaks the long-range crystalline order leading to a reconstructed superstructure called the charge-density wave (CDW) structure, which can therefore be recovered by external stimuli such as temperature. Alternatively, we show here that another external stimulation, electric field can also result in the phase transition between the regular and CDW structures of a single-layer transition-metal dichalcogenide. We used single-layer TiSe2 as an example to elucidate the mechanism of the CDW followed by calculations of the electronic structure using a hybrid density functional. We found that applying electric field can tune the phase transition between the 1T and CDW phases of single-layer TiSe2. Our work opens up a route of tuning the phase transition of single-layer materials via electric field.

Temperature reconstruction and volcanic eruption signal from tree-ring width and maximum latewood density over the past 304 years in the southeastern Tibetan Plateau.

PubMed

Li, Mingqi; Huang, Lei; Yin, Zhi-Yong; Shao, Xuemei

2017-11-01

This study presents a 304-year mean July-October maximum temperature reconstruction for the southeastern Tibetan Plateau based on both tree-ring width and maximum latewood density data. The reconstruction explained 58% of the variance in July-October maximum temperature during the calibration period (1958-2005). On the decadal scale, we identified two prominent cold periods during AD 1801-1833 and 1961-2003 and two prominent warm periods during AD 1730-1800 and 1928-1960, which are consistent with other reconstructions from the nearby region. Based on the reconstructed temperature series and volcanic eruption chronology, we found that most extreme cold years were in good agreement with major volcanic eruptions, such as 1816 after the Tambora eruption in 1815. Also, clusters of volcanic eruptions probably made the 1810s the coldest decade in the past 300 years. Our results indicated that fingerprints of major volcanic eruptions can be found in the reconstructed temperature records, while the responses of regional climate to these eruption events varied in space and time in the southeastern Tibetan Plateau.

Secondary signal imaging (SSI) electron tomography (SSI-ET): A new three-dimensional metrology for mesoscale specimens in transmission electron microscope.

PubMed

Han, Chang Wan; Ortalan, Volkan

2015-09-01

We have demonstrated a new electron tomography technique utilizing the secondary signals (secondary electrons and backscattered electrons) for ultra thick (a few μm) specimens. The Monte Carlo electron scattering simulations reveal that the amount of backscattered electrons generated by 200 and 300keV incident electrons is a monotonic function of the sample thickness and this causes the thickness contrast satisfying the projection requirement for the tomographic reconstruction. Additional contribution of the secondary electrons emitted from the edges of the specimens enhances the visibility of the surface features. The acquired SSI tilt series of the specimen having mesoscopic dimensions are successfully reconstructed verifying that this new technique, so called the secondary signal imaging electron tomography (SSI-ET), can directly be utilized for 3D structural analysis of mesoscale structures. Published by Elsevier Ltd.

Multistage coupling of independent laser-plasma accelerators

DOE PAGES

Steinke, S.; van Tilborg, J.; Benedetti, C.; ...

2016-02-01

Laser-plasma accelerators (LPAs) are capable of accelerating charged particles to very high energies in very compact structures. In theory, therefore, they offer advantages over conventional, large-scale particle accelerators. However, the energy gain in a single-stage LPA can be limited by laser diffraction, dephasing, electron-beam loading and laser-energy depletion. The problem of laser diffraction can be addressed by using laser-pulse guiding and preformed plasma waveguides to maintain the required laser intensity over distances of many Rayleigh lengths; dephasing can be mitigated by longitudinal tailoring of the plasma density; and beam loading can be controlled by proper shaping of the electron beam.more » To increase the beam energy further, it is necessary to tackle the problem of the depletion of laser energy, by sequencing the accelerator into stages, each powered by a separate laser pulse. In this work, we present results from an experiment that demonstrates such staging. Two LPA stages were coupled over a short distance (as is needed to preserve the average acceleration gradient) by a plasma mirror. Stable electron beams from a first LPA were focused to a twenty-micrometre radius-by a discharge capillary-based active plasma lens-into a second LPA, such that the beams interacted with the wakefield excited by a separate laser. Staged acceleration by the wakefield of the second stage is detected via an energy gain of 100 megaelectronvolts for a subset of the electron beam. Changing the arrival time of the electron beam with respect to the second-stage laser pulse allowed us to reconstruct the temporal wakefield structure and to determine the plasma density. Our results indicate that the fundamental limitation to energy gain presented by laser depletion can be overcome by using staged acceleration, suggesting a way of reaching the electron energies required for collider applications.« less

Late-Holocene climate evolution at the WAIS Divide site, West Antarctica: Bubble number-density estimates

USGS Publications Warehouse

Fegyveresi, John M.; Alley, R.B.; Spencer, M.K.; Fitzpatrick, J.J.; Steig, E.J.; White, J.W.C.; McConnell, J.R.; Taylor, K.C.

2011-01-01

A surface cooling of ???1.7??C occurred over the ???two millennia prior to ???1700 CE at the West Antarctic ice sheet (WAIS) Divide site, based on trends in observed bubble number-density of samples from the WDC06A ice core, and on an independently constructed accumulation-rate history using annual-layer dating corrected for density variations and thinning from ice flow. Density increase and grain growth in polar firn are both controlled by temperature and accumulation rate, and the integrated effects are recorded in the number-density of bubbles as the firn changes to ice. Numberdensity is conserved in bubbly ice following pore close-off, allowing reconstruction of either paleotemperature or paleo-accumulation rate if the other is known. A quantitative late-Holocene paleoclimate reconstruction is presented for West Antarctica using data obtained from the WAIS Divide WDC06A ice core and a steady-state bubble number-density model. The resultant temperature history agrees closely with independent reconstructions based on stable-isotopic ratios of ice. The ???1.7??C cooling trend observed is consistent with a decrease in Antarctic summer duration from changing orbital obliquity, although it remains possible that elevation change at the site contributed part of the signal. Accumulation rate and temperature dropped together, broadly consistent with control by saturation vapor pressure.

Undersampling strategies for compressed sensing accelerated MR spectroscopic imaging

NASA Astrophysics Data System (ADS)

Vidya Shankar, Rohini; Hu, Houchun Harry; Bikkamane Jayadev, Nutandev; Chang, John C.; Kodibagkar, Vikram D.

2017-03-01

Compressed sensing (CS) can accelerate magnetic resonance spectroscopic imaging (MRSI), facilitating its widespread clinical integration. The objective of this study was to assess the effect of different undersampling strategy on CS-MRSI reconstruction quality. Phantom data were acquired on a Philips 3 T Ingenia scanner. Four types of undersampling masks, corresponding to each strategy, namely, low resolution, variable density, iterative design, and a priori were simulated in Matlab and retrospectively applied to the test 1X MRSI data to generate undersampled datasets corresponding to the 2X - 5X, and 7X accelerations for each type of mask. Reconstruction parameters were kept the same in each case(all masks and accelerations) to ensure that any resulting differences can be attributed to the type of mask being employed. The reconstructed datasets from each mask were statistically compared with the reference 1X, and assessed using metrics like the root mean square error and metabolite ratios. Simulation results indicate that both the a priori and variable density undersampling masks maintain high fidelity with the 1X up to five-fold acceleration. The low resolution mask based reconstructions showed statistically significant differences from the 1X with the reconstruction failing at 3X, while the iterative design reconstructions maintained fidelity with the 1X till 4X acceleration. In summary, a pilot study was conducted to identify an optimal sampling mask in CS-MRSI. Simulation results demonstrate that the a priori and variable density masks can provide statistically similar results to the fully sampled reference. Future work would involve implementing these two masks prospectively on a clinical scanner.

Radio Tomography of Ionospheric Structures (probably) due to Underground-Surface-Atmosphere-Ionosphere Coupling

NASA Astrophysics Data System (ADS)

Kunitsyn, V.; Nesterov, I.; Andreeva, E.; Rekenthaler, D. A.

2012-12-01

Ionospheric radio-tomography (RT) utilizes radio signals transmitted from the global navigational satellite systems (GNSS), including low-orbiting (LO) navigational systems such as Transit, Tsikada, etc., and high-orbiting (HO) navigational systems such as GPS, GLONASS, Galileo, Beidou, etc. The signals that are transmitted from the LO navigational satellites and recorded by ground receiving chains can be inverted for almost instantaneous (5-8 min) 2D snapshots of electron density. The data from the networks of ground receivers that record the signals of the HO satellites are suitable for implementing high-orbital RT (HORT), i.e. reconstructing the 4D distributions of the ionospheric electron density (one 3D image every 20-30 min). In the regions densely covered by the GNSS receivers, it is currently possible to get a time step of 2-4 min. The LORT and HORT approaches have a common methodical basis: in both these techniques, the integrals of electron density along the ray between the satellite and the receiver are measured, and then the tomographic procedures are applied to reconstruct the distributions of electron density. We present several examples of the experiments on the ionospheric RT, which are related to the Underground-Surface-Atmosphere-Ionosphere (USAI) coupling. In particular, we demonstrate examples of RT images of the ionosphere after industrial explosions, rocket launches, and modification of the ionosphere by high-power radio waves. We also show RT cross sections reflecting ionospheric disturbances caused by the earthquakes (EQ) and tsunami waves. In these cases, there is an evident cause-and-effect relationship. The perturbations are transferred between the geospheres predominantly by acoustic gravity waves (AGW), whose amplitudes increase with increasing height. As far as EQ are concerned, the cause of the USAI coupling mechanism is not obvious. It is clear, however, that the regular RT studies can promote the solution of this challenging problem. The single-point measurements (by ionosondes or by isolated receivers) are not amenable to unambiguous interpretation; based on these data, it is impossible to distinguish the contribution of USAI coupling from the ionospheric effects induced by the "ordinary" impacts (the Sun, the solar wind, geomagnetic perturbations, galactic cosmic rays, etc.). In order to localize sources of the ionospheric disturbances, the geophysicist needs information on the spatial structure and dynamics of the ionospheric perturbations. This information (2D-4D RT images) is optimally provided by RT methods. We present examples of the ionospheric disturbances caused by EQs as well as the ionospheric precursors of these EQs in the form of specific ionospheric irregularities: AGW- and soliton-like wave disturbances, which we identified using RT methods. Based on the results of the RT studies in the Alaska and Taiwan regions, we have detected several dozen AGW-related precursors of EQs. These data allow us to attempt to locate the source of these perturbations. We discuss the possibilities and prospects of further research aimed at identifying and analyzing precursors of EQs and establishing the mechanisms of USAI coupling. We are grateful to Northwest Research Associates, Inc., and Dr. L.-C.Tsai for providing raw RT data for Alaska and Taiwan.

Heliospheric Imaging of 3D Density Structures During the Multiple Coronal Mass Ejections of Late July to Early August 2010

NASA Astrophysics Data System (ADS)

Webb, D. F.; Möstl, C.; Jackson, B. V.; Bisi, M. M.; Howard, T. A.; Mulligan, T.; Jensen, E. A.; Jian, L. K.; Davies, J. A.; de Koning, C. A.; Liu, Y.; Temmer, M.; Clover, J. M.; Farrugia, C. J.; Harrison, R. A.; Nitta, N.; Odstrcil, D.; Tappin, S. J.; Yu, H.-S.

2013-07-01

It is usually difficult to gain a consistent global understanding of a coronal mass ejection (CME) eruption and its propagation when only near-Sun imagery and the local measurements derived from single-spacecraft observations are available. Three-dimensional (3D) density reconstructions based on heliospheric imaging allow us to "fill in" the temporal and spatial gaps between the near-Sun and in situ data to provide a truly global picture of the propagation and interactions of the CME as it moves through the inner heliosphere. In recent years the heliospheric propagation of dense structures has been observed and measured by the heliospheric imagers of the Solar Mass Ejection Imager (SMEI) and on the twin Solar TErrestrial RElations Observatory (STEREO) spacecraft. We describe the use of several 3D reconstruction techniques based on these heliospheric imaging data sets to distinguish and track the propagation of multiple CMEs in the inner heliosphere during the very active period of solar activity in late July - early August 2010. We employ 3D reconstruction techniques used at the University of California, San Diego (UCSD) based on a kinematic solar wind model, and also the empirical Tappin-Howard model. We compare our results with those from other studies of this active period, in particular the heliospheric simulations made with the ENLIL model by Odstrcil et al. ( J. Geophys. Res., 2013) and the in situ results from multiple spacecraft provided by Möstl et al. ( Astrophys. J. 758, 10 - 28, 2012). We find that the SMEI results in particular provide an overall context for the multiple-density flows associated with these CMEs. For the first time we are able to intercompare the 3D reconstructed densities with the timing and magnitude of in situ density structures at five spacecraft spread over 150° in ecliptic longitude and from 0.4 to 1 AU in radial distance. We also model the magnetic flux-rope structures at three spacecraft using both force-free and non-force-free modelling, and compare their timing and spatial structure with the reconstructed density flows.

The clustering of galaxies in the completed SDSS-III Baryon Oscillation Spectroscopic Survey: cosmic flows and cosmic web from luminous red galaxies

NASA Astrophysics Data System (ADS)

Ata, Metin; Kitaura, Francisco-Shu; Chuang, Chia-Hsun; Rodríguez-Torres, Sergio; Angulo, Raul E.; Ferraro, Simone; Gil-Marín, Hector; McDonald, Patrick; Hernández Monteagudo, Carlos; Müller, Volker; Yepes, Gustavo; Autefage, Mathieu; Baumgarten, Falk; Beutler, Florian; Brownstein, Joel R.; Burden, Angela; Eisenstein, Daniel J.; Guo, Hong; Ho, Shirley; McBride, Cameron; Neyrinck, Mark; Olmstead, Matthew D.; Padmanabhan, Nikhil; Percival, Will J.; Prada, Francisco; Rossi, Graziano; Sánchez, Ariel G.; Schlegel, David; Schneider, Donald P.; Seo, Hee-Jong; Streblyanska, Alina; Tinker, Jeremy; Tojeiro, Rita; Vargas-Magana, Mariana

2017-06-01

We present a Bayesian phase-space reconstruction of the cosmic large-scale matter density and velocity fields from the Sloan Digital Sky Survey-III Baryon Oscillations Spectroscopic Survey Data Release 12 CMASS galaxy clustering catalogue. We rely on a given Λ cold dark matter cosmology, a mesh resolution in the range of 6-10 h-1 Mpc, and a lognormal-Poisson model with a redshift-dependent non-linear bias. The bias parameters are derived from the data and a general renormalized perturbation theory approach. We use combined Gibbs and Hamiltonian sampling, implemented in the argo code, to iteratively reconstruct the dark matter density field and the coherent peculiar velocities of individual galaxies, correcting hereby for coherent redshift space distortions. Our tests relying on accurate N-body-based mock galaxy catalogues show unbiased real space power spectra of the non-linear density field up to k ˜ 0.2 h Mpc-1, and vanishing quadrupoles down to r ˜ 20 h-1 Mpc. We also demonstrate that the non-linear cosmic web can be obtained from the tidal field tensor based on the Gaussian component of the reconstructed density field. We find that the reconstructed velocities have a statistical correlation coefficient compared to the true velocities of each individual light-cone mock galaxy of r ˜ 0.68 including about 10 per cent of satellite galaxies with virial motions (about r = 0.75 without satellites). The power spectra of the velocity divergence agree well with theoretical predictions up to k ˜ 0.2 h Mpc-1. This work will be especially useful to improve, for example, baryon acoustic oscillation reconstructions, kinematic Sunyaev-Zeldovich, integrated Sachs-Wolfe measurements or environmental studies.

First Test Of A New High Resolution Positron Camera With Four Area Detectors

NASA Astrophysics Data System (ADS)

van Laethem, E.; Kuijk, M.; Deconinck, Frank; van Miert, M.; Defrise, Michel; Townsend, D.; Wensveen, M.

1989-10-01

A PET camera consisting of two pairs of parallel area detectors has been installed at the cyclotron unit of VUB. The detectors are High Density Avalanche Chambers (HIDAC) wire-chambers with a stack of 4 or 6 lead gamma-electron converters, the sensitive area being 30 by 30 cm. The detectors are mounted on a commercial gantry allowing a 180 degree rotation during acquisition, as needed for a fully 3D image reconstruction. The camera has been interfaced to a token-ring computer network consisting of 5 workstations among which the various tasks (acquisition, reconstruction, display) can be distributed. Each coincident event is coded in 48 bits and is transmitted to the computer bus via a 512 kbytes dual ported buffer memory allowing data rates of up to 50 kHz. Fully 3D image reconstruction software has been developed, and includes new reconstruction algorithms allowing a better utilization of the available projection data. Preliminary measurements and imaging of phantoms and small animals (with 18FDG) have been performed with two of the four detectors mounted on the gantry. They indicate the expected 3D isotropic spatial resolution of 3.5 mm (FWHM, line source in air) and a sensitivity of 4 cps/μCi for a centred point source in air, corresponding to typical data rates of a few kHz. This latter figure is expected to improve by a factor of 4 after coupling of the second detector pair, since the coincidence sensitivity of this second detector pair is a factor 3 higher than that of the first one.

Ionospheric-thermospheric UV tomography: 3. A multisensor technique for creating full-orbit reconstructions of atmospheric UV emission

NASA Astrophysics Data System (ADS)

Hei, Matthew A.; Budzien, Scott A.; Dymond, Kenneth F.; Nicholas, Andrew C.; Paxton, Larry J.; Schaefer, Robert K.; Groves, Keith M.

2017-07-01

We present the Volume Emission Rate Tomography (VERT) technique for inverting satellite-based, multisensor limb and nadir measurements of atmospheric ultraviolet emission to create whole-orbit reconstructions of atmospheric volume emission rate. The VERT approach is more general than previous ionospheric tomography methods because it can reconstruct the volume emission rate field irrespective of the particular excitation mechanisms (e.g., radiative recombination, photoelectron impact excitation, and energetic particle precipitation in auroras); physical models are then applied to interpret the airglow. The technique was developed and tested using data from the Special Sensor Ultraviolet Limb Imager and Special Sensor Ultraviolet Spectrographic Imager instruments aboard the Defense Meteorological Satellite Program F-18 spacecraft and planned for use with upcoming remote sensing missions. The technique incorporates several features to optimize the tomographic solutions, such as the use of a nonnegative algorithm (Richardson-Lucy, RL) that explicitly accounts for the Poisson statistics inherent in optical measurements, capability to include extinction effects due to resonant scattering and absorption of the photons from the lines of sight, a pseudodiffusion-based regularization scheme implemented between iterations of the RL code to produce smoother solutions, and the capability to estimate error bars on the solutions. Tests using simulated atmospheric emissions verify that the technique performs well in a variety of situations, including daytime, nighttime, and even in the challenging terminator regions. Lastly, we consider ionospheric nightglow and validate reconstructions of the nighttime electron density against Advanced Research Project Agency (ARPA) Long-range Tracking and Identification Radar (ALTAIR) incoherent scatter radar data.

Bright-field electron tomography of individual inorganic fullerene-like structures

NASA Astrophysics Data System (ADS)

Bar Sadan, Maya; Wolf, Sharon G.; Houben, Lothar

2010-03-01

Nanotubes and fullerene-like nanoparticles of various inorganic layered compounds have been studied extensively in recent years. Their characterisation on the atomic scale has proven essential for progress in synthesis as well as for the theoretical modelling of their physical properties. We show that with electron tomography it is possible to achieve a reliable reconstruction of the 3D structure of nested WS2 or MoS2 fullerene-like and nanotube structures with sub-nanometre resolution using electron microscopes that are not aberration-corrected. Model-based simulations were used to identify imaging parameters, under which structural features such as the shell structure can be retained in the tomogram reconstructed from bright-field micrographs. The isolation of a particle out of an agglomerate for the analysis of a single structure and its interconnection with other particles is facilitated through the tomograms. The internal structure of the layers within the particle alongside the shape and content of its internal void are reconstructed. The tomographic reconstruction yields insights regarding the growth process as well as structural defects, such as non-continuous layers, which relate to the lubrication properties.Nanotubes and fullerene-like nanoparticles of various inorganic layered compounds have been studied extensively in recent years. Their characterisation on the atomic scale has proven essential for progress in synthesis as well as for the theoretical modelling of their physical properties. We show that with electron tomography it is possible to achieve a reliable reconstruction of the 3D structure of nested WS2 or MoS2 fullerene-like and nanotube structures with sub-nanometre resolution using electron microscopes that are not aberration-corrected. Model-based simulations were used to identify imaging parameters, under which structural features such as the shell structure can be retained in the tomogram reconstructed from bright-field micrographs. The isolation of a particle out of an agglomerate for the analysis of a single structure and its interconnection with other particles is facilitated through the tomograms. The internal structure of the layers within the particle alongside the shape and content of its internal void are reconstructed. The tomographic reconstruction yields insights regarding the growth process as well as structural defects, such as non-continuous layers, which relate to the lubrication properties. Electronic supplementary information (ESI) available: Figs. S1 and S2 and movies S1-S6. See DOI: 10.1039/b9nr00251k

Quantum oscillations from the reconstructed Fermi surface in electron-doped cuprate superconductors

NASA Astrophysics Data System (ADS)

Higgins, J. S.; Chan, M. K.; Sarkar, Tarapada; McDonald, R. D.; Greene, R. L.; Butch, N. P.

2018-04-01

We have studied the electronic structure of electron-doped cuprate superconductors via measurements of high-field Shubnikov–de Haas oscillations in thin films. In optimally doped Pr2‑x Ce x CuO4±δ and La2‑x Ce x CuO4±δ , quantum oscillations indicate the presence of a small Fermi surface, demonstrating that electronic reconstruction is a general feature of the electron-doped cuprates, despite the location of the superconducting dome at very different doping levels. Negative high-field magnetoresistance is correlated with an anomalous low-temperature change in scattering that modifies the amplitude of quantum oscillations. This behavior is consistent with effects attributed to spin fluctuations.

Multicomponent density functional theory embedding formulation.

PubMed

Culpitt, Tanner; Brorsen, Kurt R; Pak, Michael V; Hammes-Schiffer, Sharon

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Multicomponent density functional theory embedding formulation

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

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density ismore » separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.« less

Normal and abnormal evolution of argon metastable density in high-density plasmas

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

Seo, B. H.; Kim, J. H., E-mail: jhkim86@kriss.re.kr; You, S. J., E-mail: sjyou@cnu.ac.kr

2015-05-15

A controversial problem on the evolution of Ar metastable density as a function of electron density (increasing trend versus decreasing trend) was resolved by discovering the anomalous evolution of the argon metastable density with increasing electron density (discharge power), including both trends of the metastable density [Daltrini et al., Appl. Phys. Lett. 92, 061504 (2008)]. Later, by virtue of an adequate physical explanation based on a simple global model, both evolutions of the metastable density were comprehensively understood as part of the abnormal evolution occurring at low- and high-density regimes, respectively, and thus the physics behind the metastable evolution hasmore » seemed to be clearly disclosed. In this study, however, a remarkable result for the metastable density behavior with increasing electron density was observed: even in the same electron density regime, there are both normal and abnormal evolutions of metastable-state density with electron density depending on the measurement position: The metastable density increases with increasing electron density at a position far from the inductively coupled plasma antenna but decreases at a position close to the antenna. The effect of electron temperature, which is spatially nonuniform in the plasma, on the electron population and depopulation processes of Argon metastable atoms with increasing electron density is a clue to understanding the results. The calculated results of the global model, including multistep ionization for the argon metastable state and measured electron temperature, are in a good agreement with the experimental results.« less

Algebraic reconstruction for 3D magnetic resonance-electrical impedance tomography (MREIT) using one component of magnetic flux density.

PubMed

Ider, Y Ziya; Onart, Serkan

2004-02-01

Magnetic resonance-electrical impedance tomography (MREIT) algorithms fall into two categories: those utilizing internal current density and those utilizing only one component of measured magnetic flux density. The latter group of algorithms have the advantage that the object does not have to be rotated in the magnetic resonance imaging (MRI) system. A new algorithm which uses only one component of measured magnetic flux density is developed. In this method, the imaging problem is formulated as the solution of a non-linear matrix equation which is solved iteratively to reconstruct resistivity. Numerical simulations are performed to test the algorithm both for noise-free and noisy cases. The uniqueness of the solution is monitored by looking at the singular value behavior of the matrix and it is shown that at least two current injection profiles are necessary. The method is also modified to handle region-of-interest reconstructions. In particular it is shown that, if the image of a certain xy-slice is sought for, then it suffices to measure the z-component of magnetic flux density up to a distance above and below that slice. The method is robust and has good convergence behavior for the simulation phantoms used.

Reconstruction of apparent orthotropic conductivity tensor image using magnetic resonance electrical impedance tomography

NASA Astrophysics Data System (ADS)

Sajib, Saurav Z. K.; Kim, Ji Eun; Jeong, Woo Chul; Kim, Hyung Joong; Kwon, Oh In; Woo, Eung Je

2015-03-01

Magnetic resonance electrical impedance tomography visualizes current density and/or conductivity distributions inside an electrically conductive object. Injecting currents into the imaging object along at least two different directions, induced magnetic flux density data can be measured using a magnetic resonance imaging scanner. Without rotating the object inside the scanner, we can measure only one component of the magnetic flux density denoted as Bz. Since the biological tissues such as skeletal muscle and brain white matter show strong anisotropic properties, the reconstruction of anisotropic conductivity tensor is indispensable for the accurate observations in the biological systems. In this paper, we propose a direct method to reconstruct an axial apparent orthotropic conductivity tensor by using multiple Bz data subject to multiple injection currents. To investigate the anisotropic conductivity properties, we first recover the internal current density from the measured Bz data. From the recovered internal current density and the curl-free condition of the electric field, we derive an over-determined matrix system for determining the internal absolute orthotropic conductivity tensor. The over-determined matrix system is designed to use a combination of two loops around each pixel. Numerical simulations and phantom experimental results demonstrate that the proposed algorithm stably determines the orthotropic conductivity tensor.

Scatter correction, intermediate view estimation and dose characterization in megavoltage cone-beam CT imaging

NASA Astrophysics Data System (ADS)

Sramek, Benjamin Koerner

The ability to deliver conformal dose distributions in radiation therapy through intensity modulation and the potential for tumor dose escalation to improve treatment outcome has necessitated an increase in localization accuracy of inter- and intra-fractional patient geometry. Megavoltage cone-beam CT imaging using the treatment beam and onboard electronic portal imaging device is one option currently being studied for implementation in image-guided radiation therapy. However, routine clinical use is predicated upon continued improvements in image quality and patient dose delivered during acquisition. The formal statement of hypothesis for this investigation was that the conformity of planned to delivered dose distributions in image-guided radiation therapy could be further enhanced through the application of kilovoltage scatter correction and intermediate view estimation techniques to megavoltage cone-beam CT imaging, and that normalized dose measurements could be acquired and inter-compared between multiple imaging geometries. The specific aims of this investigation were to: (1) incorporate the Feldkamp, Davis and Kress filtered backprojection algorithm into a program to reconstruct a voxelized linear attenuation coefficient dataset from a set of acquired megavoltage cone-beam CT projections, (2) characterize the effects on megavoltage cone-beam CT image quality resulting from the application of Intermediate View Interpolation and Intermediate View Reprojection techniques to limited-projection datasets, (3) incorporate the Scatter and Primary Estimation from Collimator Shadows (SPECS) algorithm into megavoltage cone-beam CT image reconstruction and determine the set of SPECS parameters which maximize image quality and quantitative accuracy, and (4) evaluate the normalized axial dose distributions received during megavoltage cone-beam CT image acquisition using radiochromic film and thermoluminescent dosimeter measurements in anthropomorphic pelvic and head and neck phantoms. The conclusions of this investigation were: (1) the implementation of intermediate view estimation techniques to megavoltage cone-beam CT produced improvements in image quality, with the largest impact occurring for smaller numbers of initially-acquired projections, (2) the SPECS scatter correction algorithm could be successfully incorporated into projection data acquired using an electronic portal imaging device during megavoltage cone-beam CT image reconstruction, (3) a large range of SPECS parameters were shown to reduce cupping artifacts as well as improve reconstruction accuracy, with application to anthropomorphic phantom geometries improving the percent difference in reconstructed electron density for soft tissue from -13.6% to -2.0%, and for cortical bone from -9.7% to 1.4%, (4) dose measurements in the anthropomorphic phantoms showed consistent agreement between planar measurements using radiochromic film and point measurements using thermoluminescent dosimeters, and (5) a comparison of normalized dose measurements acquired with radiochromic film to those calculated using multiple treatment planning systems, accelerator-detector combinations, patient geometries and accelerator outputs produced a relatively good agreement.

Currents between tethered electrodes in a magnetized laboratory plasma

NASA Technical Reports Server (NTRS)

Stenzel, R. L.; Urrutia, J. M.

1989-01-01

Laboratory experiments on important plasma physics issues of electrodynamic tethers were performed. These included current propagation, formation of wave wings, limits of current collection, nonlinear effects and instabilities, charging phenomena, and characteristics of transmission lines in plasmas. The experiments were conducted in a large afterglow plasma. The current system was established with a small electron-emitting hot cathode tethered to an electron-collecting anode, both movable across the magnetic field and energized by potential difference up to V approx.=100 T(sub e). The total current density in space and time was obtained from complete measurements of the perturbed magnetic field. The fast spacecraft motion was reproduced in the laboratory by moving the tethered electrodes in small increments, applying delayed current pulses, and reconstructing the net field by a linear superposition of locally emitted wavelets. With this technique, the small-amplitude dc current pattern is shown to form whistler wings at each electrode instead of the generally accepted Alfven wings. For the beam electrode, the whistler wing separates from the field-aligned beam which carries no net current. Large amplitude return currents to a stationary anode generate current-driven microinstabilities, parallel electric fields, ion depletions, current disruptions and time-varying electrode charging. At appropriately high potentials and neutral densities, excess neutrals are ionized near the anode. The anode sheath emits high-frequency electron transit-time oscillations at the sheath-plasma resonance. The beam generates Langmuir turbulence, ion sound turbulence, electron heating, space charge fields, and Hall currents. An insulated, perfectly conducting transmission line embedded in the plasma becomes lossy due to excitation of whistler waves and magnetic field diffusion effects. The implications of the laboratory observations on electrodynamic tethers in space are discussed.

Low-latitude ionospheric research using the CIRCE Mission: instrumentation overview

NASA Astrophysics Data System (ADS)

Dymond, K. F.; Nicholas, A. C.; Budzien, S. A.; Stephan, A. W.; Marquis, P.; Brown, C. M.; Finne, T.; Wolfram, K. D.

2017-08-01

The Coordinated Ionospheric Reconstruction Cubesat Experiment (CIRCE) is a dual-satellite mission consisting of two 6U CubeSats actively maintaining a lead-follow configuration in the same orbit with a launch planned for the 2018-2019 time-frame. These nanosatellites will each feature two 1U size ultraviolet photometers, observing the 135.6 nm emission of atomic oxygen at nighttime. The primary objective is to characterize the two-dimensional distribution of electrons in the orbital plane of the vehicles with special emphasis on studying the morphology of the Equatorial Ionization Anomaly (EIA). The methodology used to reconstruct the nighttime ionosphere employs continuous UV photometry from four distinct viewing angles in combination with an additional data source, such as in situ plasma density measurements or a wide-band beacon data, with advanced image space reconstruction algorithm tomography techniques. The COSMIC/FORMOSAT-3 (CF3) constellation featured six Tiny Ionospheric Photometers, compact UV sensors which served as the pathfinder for the CIRCE instruments. The TIP instruments on the CF3 satellites demonstrated detection of ionospheric bubbles before they had penetrated the peak of the F-region ionosphere, showed the temporal evolution of the EIA, and observed a Medium Scale Travelling Ionospheric Disturbance. We present our mission concept, some pertinent information regarding the instrument design, the results of simulations illustrating the imaging capability of the sensor suite, and a range of science questions addressable using such a system.

Source reconstruction via the spatiotemporal Kalman filter and LORETA from EEG time series with 32 or fewer electrodes.

PubMed

Hamid, Laith; Al Farawn, Ali; Merlet, Isabelle; Japaridze, Natia; Heute, Ulrich; Stephani, Ulrich; Galka, Andreas; Wendling, Fabrice; Siniatchkin, Michael

2017-07-01

The clinical routine of non-invasive electroencephalography (EEG) is usually performed with 8-40 electrodes, especially in long-term monitoring, infants or emergency care. There is a need in clinical and scientific brain imaging to develop inverse solution methods that can reconstruct brain sources from these low-density EEG recordings. In this proof-of-principle paper we investigate the performance of the spatiotemporal Kalman filter (STKF) in EEG source reconstruction with 9-, 19- and 32- electrodes. We used simulated EEG data of epileptic spikes generated from lateral frontal and lateral temporal brain sources using state-of-the-art neuronal population models. For validation of source reconstruction, we compared STKF results to the location of the simulated source and to the results of low-resolution brain electromagnetic tomography (LORETA) standard inverse solution. STKF consistently showed less localization bias compared to LORETA, especially when the number of electrodes was decreased. The results encourage further research into the application of the STKF in source reconstruction of brain activity from low-density EEG recordings.

Experimental evidence and structural modeling of nonstoichiometric (010) surfaces coexisting in hydroxyapatite nano-crystals.

PubMed

Ospina, C A; Terra, J; Ramirez, A J; Farina, M; Ellis, D E; Rossi, A M

2012-01-01

High-resolution transmission electron microscopy (HRTEM) and ab initio quantum-mechanical calculations of electronic structure were combined to investigate the structure of the hydroxyapatite (HA) (010) surface, which plays an important role in HA interactions with biological media. HA was synthesized by in vitro precipitation at 37°C. HRTEM images revealed thin elongated rod nanoparticles with preferential growth along the [001] direction and terminations parallel to the (010) plane. The focal series reconstruction (FSR) technique was applied to develop an atomic-scale structural model of the high-resolution images. The HRTEM simulations identified the coexistence of two structurally distinct terminations for (010) surfaces: a rather flat Ca(II)-terminated surface and a zig-zag structure with open OH channels. Density functional theory (DFT) was applied in a periodic slab plane-wave pseudopotential approach to refine details of atomic coordination and bond lengths of Ca(I) and Ca(II) sites in hydrated HA (010) surfaces, starting from the HRTEM model. Copyright © 2011 Elsevier B.V. All rights reserved.

Constructing oxide interfaces and heterostructures by atomic layer-by-layer laser molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Lei, Qingyu; Golalikhani, Maryam; Davidson, Bruce A.; Liu, Guozhen; Schlom, Darrell G.; Qiao, Qiao; Zhu, Yimei; Chandrasena, Ravini U.; Yang, Weibing; Gray, Alexander X.; Arenholz, Elke; Farrar, Andrew K.; Tenne, Dmitri A.; Hu, Minhui; Guo, Jiandong; Singh, Rakesh K.; Xi, Xiaoxing

2017-12-01

Advancements in nanoscale engineering of oxide interfaces and heterostructures have led to discoveries of emergent phenomena and new artificial materials. Combining the strengths of reactive molecular-beam epitaxy and pulsed-laser deposition, we show here, with examples of Sr1+xTi1-xO3+δ, Ruddlesden-Popper phase Lan+1NinO3n+1 (n = 4), and LaAl1+yO3(1+0.5y)/SrTiO3 interfaces, that atomic layer-by-layer laser molecular-beam epitaxy significantly advances the state of the art in constructing oxide materials with atomic layer precision and control over stoichiometry. With atomic layer-by-layer laser molecular-beam epitaxy we have produced conducting LaAlO3/SrTiO3 interfaces at high oxygen pressures that show no evidence of oxygen vacancies, a capability not accessible by existing techniques. The carrier density of the interfacial two-dimensional electron gas thus obtained agrees quantitatively with the electronic reconstruction mechanism.

Performance and data analysis aspects of the new DIII-D monostatic profile reflectometer system

DOE PAGES

Zeng, Lei; Peebles, William A.; Doyle, Edward J.; ...

2014-08-07

A new frequency-modulated (FMCW) profile reflectometer system, featuring a monostatic antenna geometry (using one microwave antenna for both launch and receive), has been installed on the DIII-D tokamak, providing a first experimental test of this measurement approach for profile reflectometry. Significant features of the new system are briefly described in this paper, including the new monostatic arrangement, use of overmoded, broadband transmission waveguide, and dual-polarization combination/demultiplexing. Updated data processing and analysis, and in-service performance aspects of the new monostatic profile reflectometer system are also presented. By using a raytracing code (GENRAY) to determine the approximate trajectory of the probe beam,more » the electron density (n e) profile can be successfully reconstructed with L-mode plasmas vertically shifted by more than 10 cm off the vessel midplane. Specifically, it is demonstrated that the new system has a capability to measure n e profiles with plasma vertical offsets of up to ±17 cm. Furthermore, examples are also presented of accurate, high time and spatial resolution density profile measurements made over a wide range of DIII-D conditions, e.g. the measured temporal evolution of the density profile across an L-H transition.« less

Experimental results for 2D magnetic resonance electrical impedance tomography (MR-EIT) using magnetic flux density in one direction.

PubMed

Birgül, Ozlem; Eyüboğlu, B Murat; Ider, Y Ziya

2003-11-07

Magnetic resonance electrical impedance tomography (MR-EIT) is an emerging imaging technique that reconstructs conductivity images using magnetic flux density measurements acquired employing MRI together with conventional EIT measurements. In this study, experimental MR-EIT images from phantoms with conducting and insulator objects are presented. The technique is implemented using the 0.15 T Middle East Technical University MRI system. The dc current method used in magnetic resonance current density imaging is adopted. A reconstruction algorithm based on the sensitivity matrix relation between conductivity and only one component of magnetic flux distribution is used. Therefore, the requirement for object rotation is eliminated. Once the relative conductivity distribution is found, it is scaled using the peripheral voltage measurements to obtain the absolute conductivity distribution. Images of several insulator and conductor objects in saline filled phantoms are reconstructed. The L2 norm of relative error in conductivity values is found to be 13%, 17% and 14% for three different conductivity distributions.

Compensation of missing wedge effects with sequential statistical reconstruction in electron tomography.

PubMed

Paavolainen, Lassi; Acar, Erman; Tuna, Uygar; Peltonen, Sari; Moriya, Toshio; Soonsawad, Pan; Marjomäki, Varpu; Cheng, R Holland; Ruotsalainen, Ulla

2014-01-01

Electron tomography (ET) of biological samples is used to study the organization and the structure of the whole cell and subcellular complexes in great detail. However, projections cannot be acquired over full tilt angle range with biological samples in electron microscopy. ET image reconstruction can be considered an ill-posed problem because of this missing information. This results in artifacts, seen as the loss of three-dimensional (3D) resolution in the reconstructed images. The goal of this study was to achieve isotropic resolution with a statistical reconstruction method, sequential maximum a posteriori expectation maximization (sMAP-EM), using no prior morphological knowledge about the specimen. The missing wedge effects on sMAP-EM were examined with a synthetic cell phantom to assess the effects of noise. An experimental dataset of a multivesicular body was evaluated with a number of gold particles. An ellipsoid fitting based method was developed to realize the quantitative measures elongation and contrast in an automated, objective, and reliable way. The method statistically evaluates the sub-volumes containing gold particles randomly located in various parts of the whole volume, thus giving information about the robustness of the volume reconstruction. The quantitative results were also compared with reconstructions made with widely-used weighted backprojection and simultaneous iterative reconstruction technique methods. The results showed that the proposed sMAP-EM method significantly suppresses the effects of the missing information producing isotropic resolution. Furthermore, this method improves the contrast ratio, enhancing the applicability of further automatic and semi-automatic analysis. These improvements in ET reconstruction by sMAP-EM enable analysis of subcellular structures with higher three-dimensional resolution and contrast than conventional methods.

(Tl, Sb) and (Tl, Bi) binary surface reconstructions on Ge(111) substrate

NASA Astrophysics Data System (ADS)

Gruznev, D. V.; Bondarenko, L. V.; Tupchaya, A. Y.; Yakovlev, A. A.; Mihalyuk, A. N.; Zotov, A. V.; Saranin, A. A.

2018-03-01

2D compounds made of Group-III and Group-V elements on the surface of silicon and germanium attract considerable attention due to prospects of creating III-V binary monolayers, which are predicted to hold advanced physical properties. In the present work, we have investigated two such systems, (Tl, Sb)/Ge(111) and (Tl, Bi)/Ge(111) using scanning tunneling microscopy, low energy electron diffraction observations and density-functional-theory calculations. In addition to the previously reported surface structures of 2D (Tl, Sb) and (Tl, Bi) compounds on Si(111), we found new ones, namely, √{ 7} × √{ 7} and 3 × 3. Formation processes and plausible models of their atomic arrangements are discussed.

Dictionary-learning-based reconstruction method for electron tomography.

PubMed

Liu, Baodong; Yu, Hengyong; Verbridge, Scott S; Sun, Lizhi; Wang, Ge

2014-01-01

Electron tomography usually suffers from so-called “missing wedge” artifacts caused by limited tilt angle range. An equally sloped tomography (EST) acquisition scheme (which should be called the linogram sampling scheme) was recently applied to achieve 2.4-angstrom resolution. On the other hand, a compressive sensing inspired reconstruction algorithm, known as adaptive dictionary based statistical iterative reconstruction (ADSIR), has been reported for X-ray computed tomography. In this paper, we evaluate the EST, ADSIR, and an ordered-subset simultaneous algebraic reconstruction technique (OS-SART), and compare the ES and equally angled (EA) data acquisition modes. Our results show that OS-SART is comparable to EST, and the ADSIR outperforms EST and OS-SART. Furthermore, the equally sloped projection data acquisition mode has no advantage over the conventional equally angled mode in this context.

Dual energy CT with one full scan and a second sparse-view scan using structure preserving iterative reconstruction (SPIR)

NASA Astrophysics Data System (ADS)

Wang, Tonghe; Zhu, Lei

2016-09-01

Conventional dual-energy CT (DECT) reconstruction requires two full-size projection datasets with two different energy spectra. In this study, we propose an iterative algorithm to enable a new data acquisition scheme which requires one full scan and a second sparse-view scan for potential reduction in imaging dose and engineering cost of DECT. A bilateral filter is calculated as a similarity matrix from the first full-scan CT image to quantify the similarity between any two pixels, which is assumed unchanged on a second CT image since DECT scans are performed on the same object. The second CT image from reduced projections is reconstructed by an iterative algorithm which updates the image by minimizing the total variation of the difference between the image and its filtered image by the similarity matrix under data fidelity constraint. As the redundant structural information of the two CT images is contained in the similarity matrix for CT reconstruction, we refer to the algorithm as structure preserving iterative reconstruction (SPIR). The proposed method is evaluated on both digital and physical phantoms, and is compared with the filtered-backprojection (FBP) method, the conventional total-variation-regularization-based algorithm (TVR) and prior-image-constrained-compressed-sensing (PICCS). SPIR with a second 10-view scan reduces the image noise STD by a factor of one order of magnitude with same spatial resolution as full-view FBP image. SPIR substantially improves over TVR on the reconstruction accuracy of a 10-view scan by decreasing the reconstruction error from 6.18% to 1.33%, and outperforms TVR at 50 and 20-view scans on spatial resolution with a higher frequency at the modulation transfer function value of 10% by an average factor of 4. Compared with the 20-view scan PICCS result, the SPIR image has 7 times lower noise STD with similar spatial resolution. The electron density map obtained from the SPIR-based DECT images with a second 10-view scan has an average error of less than 1%.

The effect of Fe-coverage on the structure, morphology and magnetic properties of α-FeSi2 nanoislands.

PubMed

Tripathi, J K; Garbrecht, M; Kaplan, W D; Markovich, G; Goldfarb, I

2012-12-14

Self-assembled α-FeSi(2) nanoislands were formed using solid-phase epitaxy of low (~1.2 ML) and high (~21 ML) Fe coverages onto vicinal Si(111) surfaces followed by thermal annealing. At a resulting low Fe-covered Si(111) surface, we observed in situ, by real-time scanning tunneling microscopy and surface electron diffraction, the entire sequence of Fe-silicide formation and transformation from the initially two-dimensional (2 × 2)-reconstructed layer at 300 °C into (2 × 2)-reconstructed nanoislands decorating the vicinal step-bunch edges in a self-ordered fashion at higher temperatures. In contrast, the silicide nanoislands at a high Fe-covered surface were noticeably larger, more three-dimensional, and randomly distributed all over the surface. Ex situ x-ray photoelectron spectroscopy and high-resolution transmission electron microscopy indicated the formation of an α-FeSi(2) island phase, in an α-FeSi(2){112} // Si{111} orientation. Superconducting quantum interference device magnetometry showed considerable superparamagnetism, with ~1.9 μ(B)/Fe atom at 4 K for the low Fe-coverage, indicating stronger ferromagnetic coupling of individual magnetic moments, as compared to high Fe-coverage, where the calculated moments were only ~0.8 μ(B)/Fe atom. Such anomalous magnetic behavior, particularly for the low Fe-coverage case, is radically different from the non-magnetic bulk α-FeSi(2) phase, and may open new pathways to high-density magnetic memory storage devices.

Electron beam diagnostic for profiling high power beams

DOEpatents

Elmer, John W [Danville, CA; Palmer, Todd A [Livermore, CA; Teruya, Alan T [Livermore, CA

2008-03-25

A system for characterizing high power electron beams at power levels of 10 kW and above is described. This system is comprised of a slit disk assembly having a multitude of radial slits, a conducting disk with the same number of radial slits located below the slit disk assembly, a Faraday cup assembly located below the conducting disk, and a start-stop target located proximate the slit disk assembly. In order to keep the system from over-heating during use, a heat sink is placed in close proximity to the components discussed above, and an active cooling system, using water, for example, can be integrated into the heat sink. During use, the high power beam is initially directed onto a start-stop target and after reaching its full power is translated around the slit disk assembly, wherein the beam enters the radial slits and the conducting disk radial slits and is detected at the Faraday cup assembly. A trigger probe assembly can also be integrated into the system in order to aid in the determination of the proper orientation of the beam during reconstruction. After passing over each of the slits, the beam is then rapidly translated back to the start-stop target to minimize the amount of time that the high power beam comes in contact with the slit disk assembly. The data obtained by the system is then transferred into a computer system, where a computer tomography algorithm is used to reconstruct the power density distribution of the beam.

Blue intensity and density from northern Fennoscandian tree rings, exploring the potential to improve summer temperature reconstructions with earlywood information

NASA Astrophysics Data System (ADS)

Björklund, J. A.; Gunnarson, B. E.; Seftigen, K.; Esper, J.; Linderholm, H. W.

2014-04-01

Here we explore two new tree-ring parameters, derived from measurements of wood density and blue intensity (BI). The new proxies show an increase in the interannual summer temperature signal compared to established proxies, and present the potential to improve long-term performance. At high latitudes, where tree growth is mainly limited by low temperatures, radiodensitometric measurements of wood density, specifically maximum latewood density (MXD), provides a temperature proxy that is superior to that of tree-ring widths. The high cost of developing MXD has led to experimentation with a less expensive method using optical flatbed scanners to produce a new proxy, herein referred to as maximum latewood blue absorption intensity (abbreviated MXBI). MXBI is shown to be very similar to MXD on annual timescales but less accurate on centennial timescales. This is due to the fact that extractives, such as resin, stain the wood differentially from tree to tree and from heartwood to sapwood. To overcome this problem, and to address similar potential problems in radiodensitometric measurements, the new parameters Δblue intensity (ΔBI) and Δdensity are designed by subtracting the ambient BI/density in the earlywood, as a background value, from the latewood measurements. As a case-study, based on Scots pine trees from Northern Sweden, we show that Δdensity can be used as a quality control of MXD values and that the reconstructive performance of warm-season mean temperatures is more focused towards the summer months (JJA - June, July, August), with an increase by roughly 20% when also utilising the interannual information from the earlywood. However, even though the new parameter ΔBI experiences an improvement as well, there are still puzzling dissimilarities between Δdensity and ΔBI on multicentennial timescales. As a consequence, temperature reconstructions based on ΔBI will presently only be able to resolve information on decadal-to-centennial timescales. The possibility of trying to calibrate BI into a measure of lignin content or density, similarly to how radiographic measurements are calibrated into density, could be a solution. If this works, only then can ΔBI be used as a reliable proxy in multicentennial-scale climate reconstructions.

Electron tomography of HEK293T cells using scanning electron microscope-based scanning transmission electron microscopy.

PubMed

You, Yun-Wen; Chang, Hsun-Yun; Liao, Hua-Yang; Kao, Wei-Lun; Yen, Guo-Ji; Chang, Chi-Jen; Tsai, Meng-Hung; Shyue, Jing-Jong

2012-10-01

Based on a scanning electron microscope operated at 30 kV with a homemade specimen holder and a multiangle solid-state detector behind the sample, low-kV scanning transmission electron microscopy (STEM) is presented with subsequent electron tomography for three-dimensional (3D) volume structure. Because of the low acceleration voltage, the stronger electron-atom scattering leads to a stronger contrast in the resulting image than standard TEM, especially for light elements. Furthermore, the low-kV STEM yields less radiation damage to the specimen, hence the structure can be preserved. In this work, two-dimensional STEM images of a 1-μm-thick cell section with projection angles between ±50° were collected, and the 3D volume structure was reconstructed using the simultaneous iterative reconstructive technique algorithm with the TomoJ plugin for ImageJ, which are both public domain software. Furthermore, the cross-sectional structure was obtained with the Volume Viewer plugin in ImageJ. Although the tilting angle is constrained and limits the resulting structural resolution, slicing the reconstructed volume generated the depth profile of the thick specimen with sufficient resolution to examine cellular uptake of Au nanoparticles, and the final position of these nanoparticles inside the cell was imaged.

A resource from 3D electron microscopy of hippocampal neuropil for user training and tool development

PubMed Central

Harris, Kristen M.; Spacek, Josef; Bell, Maria Elizabeth; Parker, Patrick H.; Lindsey, Laurence F.; Baden, Alexander D.; Vogelstein, Joshua T.; Burns, Randal

2015-01-01

Resurgent interest in synaptic circuitry and plasticity has emphasized the importance of 3D reconstruction from serial section electron microscopy (3DEM). Three volumes of hippocampal CA1 neuropil from adult rat were imaged at X-Y resolution of ~2 nm on serial sections of ~50–60 nm thickness. These are the first densely reconstructed hippocampal volumes. All axons, dendrites, glia, and synapses were reconstructed in a cube (~10 μm3) surrounding a large dendritic spine, a cylinder (~43 μm3) surrounding an oblique dendritic segment (3.4 μm long), and a parallelepiped (~178 μm3) surrounding an apical dendritic segment (4.9 μm long). The data provide standards for identifying ultrastructural objects in 3DEM, realistic reconstructions for modeling biophysical properties of synaptic transmission, and a test bed for enhancing reconstruction tools. Representative synapses are quantified from varying section planes, and microtubules, polyribosomes, smooth endoplasmic reticulum, and endosomes are identified and reconstructed in a subset of dendrites. The original images, traces, and Reconstruct software and files are freely available and visualized at the Open Connectome Project (Data Citation 1). PMID:26347348

Hollow Cone Electron Imaging for Single Particle 3D Reconstruction of Proteins

PubMed Central

Tsai, Chun-Ying; Chang, Yuan-Chih; Lobato, Ivan; Van Dyck, Dirk; Chen, Fu-Rong

2016-01-01

The main bottlenecks for high-resolution biological imaging in electron microscopy are radiation sensitivity and low contrast. The phase contrast at low spatial frequencies can be enhanced by using a large defocus but this strongly reduces the resolution. Recently, phase plates have been developed to enhance the contrast at small defocus but electrical charging remains a problem. Single particle cryo-electron microscopy is mostly used to minimize the radiation damage and to enhance the resolution of the 3D reconstructions but it requires averaging images of a massive number of individual particles. Here we present a new route to achieve the same goals by hollow cone dark field imaging using thermal diffuse scattered electrons giving about a 4 times contrast increase as compared to bright field imaging. We demonstrate the 3D reconstruction of a stained GroEL particle can yield about 13.5 Å resolution but using a strongly reduced number of images. PMID:27292544

Method and apparatus for atomic imaging

DOEpatents

Saldin, Dilano K.; de Andres Rodriquez, Pedro L.

1993-01-01

A method and apparatus for three dimensional imaging of the atomic environment of disordered adsorbate atoms are disclosed. The method includes detecting and measuring the intensity of a diffuse low energy electron diffraction pattern formed by directing a beam of low energy electrons against the surface of a crystal. Data corresponding to reconstructed amplitudes of a wave form is generated by operating on the intensity data. The data corresponding to the reconstructed amplitudes is capable of being displayed as a three dimensional image of an adsorbate atom. The apparatus includes a source of a beam of low energy electrons and a detector for detecting the intensity distribution of a DLEED pattern formed at the detector when the beam of low energy electrons is directed onto the surface of a crystal. A device responsive to the intensity distribution generates a signal corresponding to the distribution which represents a reconstructed amplitude of a wave form and is capable of being converted into a three dimensional image of the atomic environment of an adsorbate atom on the crystal surface.

Reconstruction of truncated TCT and SPECT data from a right-angle dual-camera system for myocardial SPECT

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

Tsui, B.M.W.; Frey, E.C.; Lalush, D.S.

1996-12-31

We investigated methods to accurately reconstruct 180{degrees} truncated TCT and SPECT projection data obtained from a right-angle dual-camera SPECT system for myocardial SPECT with attenuation compensation. The 180{degrees} data reconstruction methods would permit substantial savings in transmission data acquisition time. Simulation data from the 3D MCAT phantom and clinical data from large patients were used in the evaluation study. Different transmission reconstruction methods including the FBP, transmission ML-EM, transmission ML-SA, and BIT algorithms with and without using the body contour as support, were used in the TCT image reconstructions. The accuracy of both the TCT and attenuation compensated SPECT imagesmore » were evaluated for different degrees of truncation and noise levels. We found that using the FBP reconstructed TCT images resulted in higher count density in the left ventricular (LV) wall of the attenuation compensated SPECT images. The LV wall count density obtained using the iteratively reconstructed TCT images with and without support were similar to each other and were more accurate than that using the FBP. However, the TCT images obtained with support show fewer image artifacts than without support. Among the iterative reconstruction algorithms, the ML-SA algorithm provides the most accurate reconstruction but is the slowest. The BIT algorithm is the fastest but shows the most image artifacts. We conclude that accurate attenuation compensated images can be obtained with truncated 180{degrees} data from large patients using a right-angle dual-camera SPECT system.« less

Cryo-Electron Tomography for Structural Characterization of Macromolecular Complexes

PubMed Central

Cope, Julia; Heumann, John; Hoenger, Andreas

2011-01-01

Cryo-electron tomography (cryo-ET) is an emerging 3-D reconstruction technology that combines the principles of tomographic 3-D reconstruction with the unmatched structural preservation of biological material embedded in vitreous ice. Cryo-ET is particularly suited to investigating cell-biological samples and large macromolecular structures that are too polymorphic to be reconstructed by classical averaging-based 3-D reconstruction procedures. This unit aims to make cryo-ET accessible to newcomers and discusses the specialized equipment required, as well as the relevant advantages and hurdles associated with sample preparation by vitrification and cryo-ET. Protocols describe specimen preparation, data recording and 3-D data reconstruction for cryo-ET, with a special focus on macromolecular complexes. A step-by-step procedure for specimen vitrification by plunge freezing is provided, followed by the general practicalities of tilt-series acquisition for cryo-ET, including advice on how to select an area appropriate for acquiring a tilt series. A brief introduction to the underlying computational reconstruction principles applied in tomography is described, along with instructions for reconstructing a tomogram from cryo-tilt series data. Finally, a method is detailed for extracting small subvolumes containing identical macromolecular structures from tomograms for alignment and averaging as a means to increase the signal-to-noise ratio and eliminate missing wedge effects inherent in tomographic reconstructions. PMID:21842467

3D-Stereoscopic Analysis of Solar Active Region Loops: I: SoHo/EIT Observations at Temperatures of 1.0-1.5 MK

NASA Technical Reports Server (NTRS)

Aschwanden, Markus J.; Newmark, Jeff; Delaboudiniere, Jean-Pierre; Neupert, Werner M.; Portier-Fozzani, Fabrice; Gary, G. Allen; Zucker, Arik

1998-01-01

The three-dimensional (3D) structure of solar active region NOAA 7986 observed on 1996 August 30 with the Extrem-ultraviolet Imaging Telescope (EIT) onboard the Solar and Heliospheric Observatory (SoHO) is analyzed. We develop a new method of Dynamic Stereoscopy to reconstruct the 3D geometry of dynamically changing loops, which allows us to determine the orientation of the loop plane with respect to the line-of-sight, a prerequisite to correct properly for projection effects in 3D loop models. With this method and the filter-ratio technique applied to EIT 171 A and 195 A images we determine the 3D coordinates (x(s), y(s), z(s)), the loop width) w(s), the electron density n(sub e)(s), and the electron temperature T(sub e)(s) as function of the loop length s for 30 loop segments. Fitting the loop densities with an exponential density model n(sub e)(h) we find that the so inferred scale height temperatures, T(sub e)(sup lambda) = 1.22 +/- 0.23 MK, match closely the EIT filter-ratio temperatures, T(sub e)(sup FIT) = 1.21 +/- 0.06 MK. We conclude that these rather large-scale loops (with heights of h approx. equals 50 - 200 Mm) that dominate EIT 171 A images are close to thermal equilibrium. Most of the loops show no significant thickness variation w(s), but many exhibit a trend of increasing temperature (dT/ds greater than 0) above the footpoint.

Likelihood reconstruction method of real-space density and velocity power spectra from a redshift galaxy survey

NASA Astrophysics Data System (ADS)

Tang, Jiayu; Kayo, Issha; Takada, Masahiro

2011-09-01

We develop a maximum likelihood based method of reconstructing the band powers of the density and velocity power spectra at each wavenumber bin from the measured clustering features of galaxies in redshift space, including marginalization over uncertainties inherent in the small-scale, non-linear redshift distortion, the Fingers-of-God (FoG) effect. The reconstruction can be done assuming that the density and velocity power spectra depend on the redshift-space power spectrum having different angular modulations of μ with μ2n (n= 0, 1, 2) and that the model FoG effect is given as a multiplicative function in the redshift-space spectrum. By using N-body simulations and the halo catalogues, we test our method by comparing the reconstructed power spectra with the spectra directly measured from the simulations. For the spectrum of μ0 or equivalently the density power spectrum Pδδ(k), our method recovers the amplitudes to an accuracy of a few per cent up to k≃ 0.3 h Mpc-1 for both dark matter and haloes. For the power spectrum of μ2, which is equivalent to the density-velocity power spectrum Pδθ(k) in the linear regime, our method can recover, within the statistical errors, the input power spectrum for dark matter up to k≃ 0.2 h Mpc-1 and at both redshifts z= 0 and 1, if the adequate FoG model being marginalized over is employed. However, for the halo spectrum that is least affected by the FoG effect, the reconstructed spectrum shows greater amplitudes than the spectrum Pδθ(k) inferred from the simulations over a range of wavenumbers 0.05 ≤k≤ 0.3 h Mpc-1. We argue that the disagreement may be ascribed to a non-linearity effect that arises from the cross-bispectra of density and velocity perturbations. Using the perturbation theory and assuming Einstein gravity as in simulations, we derive the non-linear correction term to the redshift-space spectrum, and find that the leading-order correction term is proportional to μ2 and increases the μ2-power spectrum amplitudes more significantly at larger k, at lower redshifts and for more massive haloes. We find that adding the non-linearity correction term to the simulation Pδθ(k) can fairly well reproduce the reconstructed Pδθ(k) for haloes up to k≃ 0.2 h Mpc-1.

Track Reconstruction and the Proton Radius Puzzle

NASA Astrophysics Data System (ADS)

Clark, Steven; Cline, Ethan; Gilman, Ron; MUSE Collaboration

2017-09-01

In 2010, Pohl et al. measured the proton charge radius to be 0.84184(67) fm using muonic hydrogen spectroscopy. This value differs about 5 σ from the CODATA proton radius from measurements with electrons. Other experiments with muons and electrons have confirmed the difference and the discrepancy has been termed the `Proton Radius Puzzle.' Currently there are no explanations for the puzzle. The MUon proton Scattering Experiment (MUSE) will make a significant measurement of the proton radius with muon scattering for the first time. The experiment tracks elastic scattering of electrons and muons off of liquid hydrogen. Particle tracks are reconstructed with track fitting software GenFit. Using a simulation of MUSE, GenFit has been determined to be proficient at track reconstruction. This project has been supported by funding from National Science Foundation Grant PHY-1560077.

A synthetic bioactive resorbable graft for predictable implant reconstruction: part one.

PubMed

Valen, Maurice; Ganz, Scott D

2002-01-01

Animal studies were conducted to evaluate the cell response and chemical potentiality of a synthetic bioactive resorbable graft (SBRG) made of nonceramic cluster particulate of low-temperature HA material. The study evaluated bone-bridging of the SBRG particulates in 1-mm wide implant channels of 5 x 8 mm long roughened titanium interface in 6 dogs and compared results to the same implant channels left empty as controls at 6- and 12-week intervals. Resorption rate capacity and cell response were evaluated with an assessment of the chemical characterization of the synthetic nonceramic material next to the titanium implant interfaces. Results of the animal studies were compared with human histologic biopsies of the SBRG for bone quality, density, and bone growth into defect sites concurrent with resorption time of the graft. One human biopsy consisted of a graft mixture of the SBRG and dense bovine-derived HA, compared under the electron microscope, including histology by H and E staining. Part 1 of this paper presents evidence of the predictability and efficacy of the SBRG osteoconductive, particulate chemical potentiality to aid in the regeneration of lost bone anatomy next to titanium implant interfaces. Recent technological innovations in computer hardware and software have given clinicians the tools to determine 3-dimensional quality and density of bone, including anatomical discrepancies, which can aid in the diagnosis and treatment planning for grafting procedures. When teeth are extracted, the surrounding bone and soft tissue are challenged as a result of the natural resorptive process. The diminished structural foundation for prosthetic reconstruction, with or without implants, can be compromised. A synthetic bioactive resorbable graft material having osteoconductive biochemical and biomechanical qualities similar to the host bone provides the means to improve compromised bone topography for ridge preservation, ridge augmentation, or to enhance the bony site for implant placement and subsequent prosthetic rehabilitation. Part two of this paper will demonstrate clinical applications of the SBRG material for purposes of implant placement and prosthetic reconstruction.

Software Toolbox for Low-Frequency Conductivity and Current Density Imaging Using MRI.

PubMed

Sajib, Saurav Z K; Katoch, Nitish; Kim, Hyung Joong; Kwon, Oh In; Woo, Eung Je

2017-11-01

Low-frequency conductivity and current density imaging using MRI includes magnetic resonance electrical impedance tomography (MREIT), diffusion tensor MREIT (DT-MREIT), conductivity tensor imaging (CTI), and magnetic resonance current density imaging (MRCDI). MRCDI and MREIT provide current density and isotropic conductivity images, respectively, using current-injection phase MRI techniques. DT-MREIT produces anisotropic conductivity tensor images by incorporating diffusion weighted MRI into MREIT. These current-injection techniques are finding clinical applications in diagnostic imaging and also in transcranial direct current stimulation (tDCS), deep brain stimulation (DBS), and electroporation where treatment currents can function as imaging currents. To avoid adverse effects of nerve and muscle stimulations due to injected currents, conductivity tensor imaging (CTI) utilizes B1 mapping and multi-b diffusion weighted MRI to produce low-frequency anisotropic conductivity tensor images without injecting current. This paper describes numerical implementations of several key mathematical functions for conductivity and current density image reconstructions in MRCDI, MREIT, DT-MREIT, and CTI. To facilitate experimental studies of clinical applications, we developed a software toolbox for these low-frequency conductivity and current density imaging methods. This MR-based conductivity imaging (MRCI) toolbox includes 11 toolbox functions which can be used in the MATLAB environment. The MRCI toolbox is available at http://iirc.khu.ac.kr/software.html . Its functions were tested by using several experimental datasets, which are provided together with the toolbox. Users of the toolbox can focus on experimental designs and interpretations of reconstructed images instead of developing their own image reconstruction softwares. We expect more toolbox functions to be added from future research outcomes. Low-frequency conductivity and current density imaging using MRI includes magnetic resonance electrical impedance tomography (MREIT), diffusion tensor MREIT (DT-MREIT), conductivity tensor imaging (CTI), and magnetic resonance current density imaging (MRCDI). MRCDI and MREIT provide current density and isotropic conductivity images, respectively, using current-injection phase MRI techniques. DT-MREIT produces anisotropic conductivity tensor images by incorporating diffusion weighted MRI into MREIT. These current-injection techniques are finding clinical applications in diagnostic imaging and also in transcranial direct current stimulation (tDCS), deep brain stimulation (DBS), and electroporation where treatment currents can function as imaging currents. To avoid adverse effects of nerve and muscle stimulations due to injected currents, conductivity tensor imaging (CTI) utilizes B1 mapping and multi-b diffusion weighted MRI to produce low-frequency anisotropic conductivity tensor images without injecting current. This paper describes numerical implementations of several key mathematical functions for conductivity and current density image reconstructions in MRCDI, MREIT, DT-MREIT, and CTI. To facilitate experimental studies of clinical applications, we developed a software toolbox for these low-frequency conductivity and current density imaging methods. This MR-based conductivity imaging (MRCI) toolbox includes 11 toolbox functions which can be used in the MATLAB environment. The MRCI toolbox is available at http://iirc.khu.ac.kr/software.html . Its functions were tested by using several experimental datasets, which are provided together with the toolbox. Users of the toolbox can focus on experimental designs and interpretations of reconstructed images instead of developing their own image reconstruction softwares. We expect more toolbox functions to be added from future research outcomes.

Electron temperatures within magnetic clouds between 2 and 4 AU: Voyager 2 observations

NASA Astrophysics Data System (ADS)

Sittler, E. C.; Burlaga, L. F.

1998-08-01

We have performed an analysis of Voyager 2 plasma electron observations within magnetic clouds between 2 and 4 AU identified by Burlaga and Behannon [1982]. The analysis has been confined to three of the magnetic clouds identified by Burlaga and Behannon that had high-quality data. The general properties of the plasma electrons within a magnetic cloud are that (1) the moment electron temperature anticorrelates with the electron density within the cloud, (2) the ratio Te/Tp tends to be >1, and (3) on average, Te/Tp~7.0. All three results are consistent with previous electron observations within magnetic clouds. Detailed analyses of the core and halo populations within the magnetic clouds show no evidence of either an anticorrelation between the core temperature TC and the electron density Ne or an anticorrelation between the halo temperature TH and the electron density. Within the magnetic clouds the halo component can contribute more than 50% of the electron pressure. The anticorrelation of Te relative to Ne can be traced to the density of the halo component relative to the density of the core component. The core electrons dominate the electron density. When the density goes up, the halo electrons contribute less to the electron pressure, so we get a lower Te. When the electron density goes down, the halo electrons contribute more to the electron pressure, and Te goes up. We find a relation between the electron pressure and density of the form Pe=αNeγ with γ~0.5.

Automation of 3D reconstruction of neural tissue from large volume of conventional serial section transmission electron micrographs.

PubMed

Mishchenko, Yuriy

2009-01-30

We describe an approach for automation of the process of reconstruction of neural tissue from serial section transmission electron micrographs. Such reconstructions require 3D segmentation of individual neuronal processes (axons and dendrites) performed in densely packed neuropil. We first detect neuronal cell profiles in each image in a stack of serial micrographs with multi-scale ridge detector. Short breaks in detected boundaries are interpolated using anisotropic contour completion formulated in fuzzy-logic framework. Detected profiles from adjacent sections are linked together based on cues such as shape similarity and image texture. Thus obtained 3D segmentation is validated by human operators in computer-guided proofreading process. Our approach makes possible reconstructions of neural tissue at final rate of about 5 microm3/manh, as determined primarily by the speed of proofreading. To date we have applied this approach to reconstruct few blocks of neural tissue from different regions of rat brain totaling over 1000microm3, and used these to evaluate reconstruction speed, quality, error rates, and presence of ambiguous locations in neuropil ssTEM imaging data.

Reconstruction of Laser-Induced Surface Topography from Electron Backscatter Diffraction Patterns.

PubMed

Callahan, Patrick G; Echlin, McLean P; Pollock, Tresa M; De Graef, Marc

2017-08-01

We demonstrate that the surface topography of a sample can be reconstructed from electron backscatter diffraction (EBSD) patterns collected with a commercial EBSD system. This technique combines the location of the maximum background intensity with a correction from Monte Carlo simulations to determine the local surface normals at each point in an EBSD scan. A surface height map is then reconstructed from the local surface normals. In this study, a Ni sample was machined with a femtosecond laser, which causes the formation of a laser-induced periodic surface structure (LIPSS). The topography of the LIPSS was analyzed using atomic force microscopy (AFM) and reconstructions from EBSD patterns collected at 5 and 20 kV. The LIPSS consisted of a combination of low frequency waviness due to curtaining and high frequency ridges. The morphology of the reconstructed low frequency waviness and high frequency ridges matched the AFM data. The reconstruction technique does not require any modification to existing EBSD systems and so can be particularly useful for measuring topography and its evolution during in situ experiments.

Sampling limits for electron tomography with sparsity-exploiting reconstructions.

PubMed

Jiang, Yi; Padgett, Elliot; Hovden, Robert; Muller, David A

2018-03-01

Electron tomography (ET) has become a standard technique for 3D characterization of materials at the nano-scale. Traditional reconstruction algorithms such as weighted back projection suffer from disruptive artifacts with insufficient projections. Popularized by compressed sensing, sparsity-exploiting algorithms have been applied to experimental ET data and show promise for improving reconstruction quality or reducing the total beam dose applied to a specimen. Nevertheless, theoretical bounds for these methods have been less explored in the context of ET applications. Here, we perform numerical simulations to investigate performance of ℓ 1 -norm and total-variation (TV) minimization under various imaging conditions. From 36,100 different simulated structures, our results show specimens with more complex structures generally require more projections for exact reconstruction. However, once sufficient data is acquired, dividing the beam dose over more projections provides no improvements-analogous to the traditional dose-fraction theorem. Moreover, a limited tilt range of ±75° or less can result in distorting artifacts in sparsity-exploiting reconstructions. The influence of optimization parameters on reconstructions is also discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Progressive Stochastic Reconstruction Technique (PSRT) for cryo electron tomography.

PubMed

Turoňová, Beata; Marsalek, Lukas; Davidovič, Tomáš; Slusallek, Philipp

2015-03-01

Cryo Electron Tomography (cryoET) plays an essential role in Structural Biology, as it is the only technique that allows to study the structure of large macromolecular complexes in their close to native environment in situ. The reconstruction methods currently in use, such as Weighted Back Projection (WBP) or Simultaneous Iterative Reconstruction Technique (SIRT), deliver noisy and low-contrast reconstructions, which complicates the application of high-resolution protocols, such as Subtomogram Averaging (SA). We propose a Progressive Stochastic Reconstruction Technique (PSRT) - a novel iterative approach to tomographic reconstruction in cryoET based on Monte Carlo random walks guided by Metropolis-Hastings sampling strategy. We design a progressive reconstruction scheme to suit the conditions present in cryoET and apply it successfully to reconstructions of macromolecular complexes from both synthetic and experimental datasets. We show how to integrate PSRT into SA, where it provides an elegant solution to the region-of-interest problem and delivers high-contrast reconstructions that significantly improve template-based localization without any loss of high-resolution structural information. Furthermore, the locality of SA is exploited to design an importance sampling scheme which significantly speeds up the otherwise slow Monte Carlo approach. Finally, we design a new memory efficient solution for the specimen-level interior problem of cryoET, removing all associated artifacts. Copyright © 2015 Elsevier Inc. All rights reserved.

Improving Weak Lensing Mass Map Reconstructions using Gaussian and Sparsity Priors: Application to DES SV

NASA Astrophysics Data System (ADS)

Jeffrey, N.; Abdalla, F. B.; Lahav, O.; Lanusse, F.; Starck, J.-L.; Leonard, A.; Kirk, D.; Chang, C.; Baxter, E.; Kacprzak, T.; Seitz, S.; Vikram, V.; Whiteway, L.; Abbott, T. M. C.; Allam, S.; Avila, S.; Bertin, E.; Brooks, D.; Rosell, A. Carnero; Kind, M. Carrasco; Carretero, J.; Castander, F. J.; Crocce, M.; Cunha, C. E.; D'Andrea, C. B.; da Costa, L. N.; Davis, C.; De Vicente, J.; Desai, S.; Doel, P.; Eifler, T. F.; Evrard, A. E.; Flaugher, B.; Fosalba, P.; Frieman, J.; García-Bellido, J.; Gerdes, D. W.; Gruen, D.; Gruendl, R. A.; Gschwend, J.; Gutierrez, G.; Hartley, W. G.; Honscheid, K.; Hoyle, B.; James, D. J.; Jarvis, M.; Kuehn, K.; Lima, M.; Lin, H.; March, M.; Melchior, P.; Menanteau, F.; Miquel, R.; Plazas, A. A.; Reil, K.; Roodman, A.; Sanchez, E.; Scarpine, V.; Schubnell, M.; Sevilla-Noarbe, I.; Smith, M.; Soares-Santos, M.; Sobreira, F.; Suchyta, E.; Swanson, M. E. C.; Tarle, G.; Thomas, D.; Walker, A. R.

2018-05-01

Mapping the underlying density field, including non-visible dark matter, using weak gravitational lensing measurements is now a standard tool in cosmology. Due to its importance to the science results of current and upcoming surveys, the quality of the convergence reconstruction methods should be well understood. We compare three methods: Kaiser-Squires (KS), Wiener filter, and GLIMPSE. KS is a direct inversion, not accounting for survey masks or noise. The Wiener filter is well-motivated for Gaussian density fields in a Bayesian framework. GLIMPSE uses sparsity, aiming to reconstruct non-linearities in the density field. We compare these methods with several tests using public Dark Energy Survey (DES) Science Verification (SV) data and realistic DES simulations. The Wiener filter and GLIMPSE offer substantial improvements over smoothed KS with a range of metrics. Both the Wiener filter and GLIMPSE convergence reconstructions show a 12% improvement in Pearson correlation with the underlying truth from simulations. To compare the mapping methods' abilities to find mass peaks, we measure the difference between peak counts from simulated ΛCDM shear catalogues and catalogues with no mass fluctuations (a standard data vector when inferring cosmology from peak statistics); the maximum signal-to-noise of these peak statistics is increased by a factor of 3.5 for the Wiener filter and 9 for GLIMPSE. With simulations we measure the reconstruction of the harmonic phases; the phase residuals' concentration is improved 17% by GLIMPSE and 18% by the Wiener filter. The correlation between reconstructions from data and foreground redMaPPer clusters is increased 18% by the Wiener filter and 32% by GLIMPSE.

Joint Simultaneous Reconstruction of Regularized Building Superstructures from Low-Density LIDAR Data Using Icp

NASA Astrophysics Data System (ADS)

Wichmann, Andreas; Kada, Martin

2016-06-01

There are many applications for 3D city models, e.g., in visualizations, analysis, and simulations; each one requiring a certain level of detail to be effective. The overall trend goes towards including various kinds of anthropogenic and natural objects therein with ever increasing geometric and semantic details. A few years back, the featured 3D building models had only coarse roof geometry. But nowadays, they are expected to include detailed roof superstructures like dormers and chimneys. Several methods have been proposed for the automatic reconstruction of 3D building models from airborne based point clouds. However, they are usually unable to reliably recognize and reconstruct small roof superstructures as these objects are often represented by only few point measurements, especially in low-density point clouds. In this paper, we propose a recognition and reconstruction approach that overcomes this problem by identifying and simultaneously reconstructing regularized superstructures of similar shape. For this purpose, candidate areas for superstructures are detected by taking into account virtual sub-surface points that are assumed to lie on the main roof faces below the measured points. The areas with similar superstructures are detected, extracted, grouped together, and registered to one another with the Iterative Closest Point (ICP) algorithm. As an outcome, the joint point density of each detected group is increased, which helps to recognize the shape of the superstructure more reliably and in more detail. Finally, all instances of each group of superstructures are modeled at once and transformed back to their original position. Because superstructures are reconstructed in groups, symmetries, alignments, and regularities can be enforced in a straight-forward way. The validity of the approach is presented on a number of example buildings from the Vaihingen test data set.

SPECTRE (www.noveltis.fr/spectre): a web Service for Ionospheric Products

NASA Astrophysics Data System (ADS)

Jeansou, E.; Crespon, F.; Garcia, R.; Helbert, J.; Moreaux, G.; Lognonne, P.

2005-12-01

The dense GPS networks developed for geodesic applications appear to be very efficient ionospheric sensors because of interaction between plasma and electromagnetic waves. Indeed, the dual frequency receivers provide data from which the Slant Total Electron Content (STEC) can be easily extracted to compute Vertical Total Electron Content (VTEC) maps. The SPECTRE project, Service and Products for ionospheric Electron Content and Tropospheric Refractivity over Europe, is currently a pre-operational service providing VTEC maps with high time and space resolution after 3 days time delay (http://www.noveltis.fr/spectre and http://ganymede.ipgp.jussieu.fr/spectre). This project is a part of SWENET, SpaceWeather European Network, initiated by the European Space Agency. The SPECTRE data products are useful for many applications. We will present these applications in term of interest for the scientific community with a special focus on spaceweather and transient ionospheric perturbations related to Earthquakes. Moreover, the pre-operational extensions of SPECTRE to the californian (SCIGN/BARD) and japanese (GEONET) dense GPS networks will be presented. Then the method of 3D tomography of the electron density from GPS data will be presented and its resolution discussed. The expected improvements of the 3D tomographic images by new tomographic reconstruction algorithms and by the advent of the Galileo system will conclude the presentation.

Oxides Surfaces and Novel Electronic Properties

NASA Astrophysics Data System (ADS)

Koirala, Pratik

The scope of this thesis extends to the study of surface structures and electronic properties in a number of complex oxides. The c(6x2) surface reconstruction on SrTiO3 (001) was solved using a combination of plan view transmission electron microscopy imaging, atomic resolution secondary electron imaging, and density functional theory calculations. This work provided fundamental insights on the effects of dielectric screening in secondary electron generation. A thorough analysis on the limitation and functionality of transmission plan view imaging showed that the kinematical approximations used in the separation of top and bottom surfaces is only valid in thin samples (˜5 nm or less for SrTiO3). The presence of an inversion center in the surface structure also made separation of the top and bottom surfaces more robust. Surface studies of two other oxides, KTaO3 and NdGaO3, provided understanding on the mechanism of surface heterogeneity and segregation. In the case of KTaO3, selective ion sputtering and the loss of K resulted in large stoichiometric variations at the surface. Annealing of such samples led to the formation of a potassium deficient tetragonal phase (K 6Ta10.8O30) on the surface. A similar phenomenon was also observed in NdGaO3. Exploratory surface studies of the rare earth scandates (ReScO3 , Re = Gd, Tb, Dy) led to the observation of large flexoelectric bending inside an electron microscope. Thin rods of these scandates bent by up to 90 degree under a focused electron beam; the bending was fully reversible. Ex-situ measurements of flexoelectric coe cient performed by an- other graduate student, Christopher Mizzi, confirmed that the scandates have a large flexocoupling voltage (˜42 V). Electronic structure of the lanthanide scandates was studied using temperature depen- dent X-ray photoelectron spectroscopy and hybrid density functional theory calculations. The amount of charging under X-ray illumination was greatly reduced with increasing temperature owing to the presence of oxygen vacancies and surface band gap reduction. These results also indicated that the 4f-electrons are active components of the valence band electronic structure. We believe that the lanthanide scandates are a rich playground of material properties and have potential for applications in electronic and nano-mechanical devices.

Impact of Te and ne on edge current density profiles in ELM mitigated regimes on ASDEX Upgrade

NASA Astrophysics Data System (ADS)

Dunne, M. G.; Rathgeber, S.; Burckhart, A.; Fischer, R.; Giannone, L.; McCarthy, P. J.; Schneider, P. A.; Wolfrum, E.; the ASDEX Upgrade Team

2015-01-01

ELM resolved edge current density profiles are reconstructed using the CLISTE equilibrium code. As input, highly spatially and temporally resolved edge electron temperature and density profiles are used in addition to data from the extensive set of external poloidal field measurements available at ASDEX Upgrade, flux loop difference measurements, and current measurements in the scrape-off layer. Both the local and flux surface averaged current density profiles are analysed for several ELM mitigation regimes. The focus throughout is on the impact of altered temperature and density profiles on the current density. In particular, many ELM mitigation regimes rely on operation at high density. Two reference plasmas with type-I ELMs are analysed, one with a deuterium gas puff and one without, in order to provide a reference for the behaviour in type-II ELMy regimes and high density ELM mitigation with external magnetic perturbations at ASDEX Upgrade. For type-II ELMs it is found that while a similar pedestal top pressure is sustained at the higher density, the temperature gradient decreases in the pedestal. This results in lower local and flux surface averaged current densities in these phases, which reduces the drive for the peeling mode. No significant differences between the current density measured in the type-I phase and ELM mitigated phase is seen when external perturbations are applied, though the pedestal top density was increased. Finally, ELMs during the nitrogen seeded phase of a high performance discharge are analysed and compared to ELMs in the reference phase. An increased pedestal pressure gradient, which is the source of confinement improvement in impurity seeded discharges, causes a local current density increase. However, the increased Zeff in the pedestal acts to reduce the flux surface averaged current density. This dichotomy, which is not observed in other mitigation regimes, could act to stabilize both the ballooning mode and the peeling mode at the same time.

Challenges of microtome‐based serial block‐face scanning electron microscopy in neuroscience

PubMed Central

WANNER, A. A.; KIRSCHMANN, M. A.

2015-01-01

Summary Serial block‐face scanning electron microscopy (SBEM) is becoming increasingly popular for a wide range of applications in many disciplines from biology to material sciences. This review focuses on applications for circuit reconstruction in neuroscience, which is one of the major driving forces advancing SBEM. Neuronal circuit reconstruction poses exceptional challenges to volume EM in terms of resolution, field of view, acquisition time and sample preparation. Mapping the connections between neurons in the brain is crucial for understanding information flow and information processing in the brain. However, information on the connectivity between hundreds or even thousands of neurons densely packed in neuronal microcircuits is still largely missing. Volume EM techniques such as serial section TEM, automated tape‐collecting ultramicrotome, focused ion‐beam scanning electron microscopy and SBEM (microtome serial block‐face scanning electron microscopy) are the techniques that provide sufficient resolution to resolve ultrastructural details such as synapses and provides sufficient field of view for dense reconstruction of neuronal circuits. While volume EM techniques are advancing, they are generating large data sets on the terabyte scale that require new image processing workflows and analysis tools. In this review, we present the recent advances in SBEM for circuit reconstruction in neuroscience and an overview of existing image processing and analysis pipelines. PMID:25907464

Bright-field electron tomography of individual inorganic fullerene-like structures.

PubMed

Bar Sadan, Maya; Wolf, Sharon G; Houben, Lothar

2010-03-01

Nanotubes and fullerene-like nanoparticles of various inorganic layered compounds have been studied extensively in recent years. Their characterisation on the atomic scale has proven essential for progress in synthesis as well as for the theoretical modelling of their physical properties. We show that with electron tomography it is possible to achieve a reliable reconstruction of the 3D structure of nested WS(2) or MoS(2) fullerene-like and nanotube structures with sub-nanometre resolution using electron microscopes that are not aberration-corrected. Model-based simulations were used to identify imaging parameters, under which structural features such as the shell structure can be retained in the tomogram reconstructed from bright-field micrographs. The isolation of a particle out of an agglomerate for the analysis of a single structure and its interconnection with other particles is facilitated through the tomograms. The internal structure of the layers within the particle alongside the shape and content of its internal void are reconstructed. The tomographic reconstruction yields insights regarding the growth process as well as structural defects, such as non-continuous layers, which relate to the lubrication properties.

Three-dimensional imaging for precise structural control of Si quantum dot networks for all-Si solar cells

NASA Astrophysics Data System (ADS)

Kourkoutis, Lena F.; Hao, Xiaojing; Huang, Shujuan; Puthen-Veettil, Binesh; Conibeer, Gavin; Green, Martin A.; Perez-Wurfl, Ivan

2013-07-01

All-Si tandem solar cells based on Si quantum dots (QDs) are a promising approach to future high-performance, thin film solar cells using abundant, stable and non-toxic materials. An important prerequisite to achieve a high conversion efficiency in such cells is the ability to control the geometry of the Si QD network. This includes the ability to control both, the size and arrangement of Si QDs embedded in a higher bandgap matrix. Using plasmon tomography we show the size, shape and density of Si QDs, that form in Si rich oxide (SRO)/SiO2 multilayers upon annealing, can be controlled by varying the SRO stoichiometry. Smaller, more spherical QDs of higher densities are obtained at lower Si concentrations. In richer SRO layers ellipsoidal QDs tend to form. Using electronic structure calculations within the effective mass approximation we show that ellipsoidal QDs give rise to reduced inter-QD coupling in the layer. Efficient carrier transport via mini-bands is in this case more likely across the multilayers provided the SiO2 spacer layer is thin enough to allow coupling in the vertical direction.All-Si tandem solar cells based on Si quantum dots (QDs) are a promising approach to future high-performance, thin film solar cells using abundant, stable and non-toxic materials. An important prerequisite to achieve a high conversion efficiency in such cells is the ability to control the geometry of the Si QD network. This includes the ability to control both, the size and arrangement of Si QDs embedded in a higher bandgap matrix. Using plasmon tomography we show the size, shape and density of Si QDs, that form in Si rich oxide (SRO)/SiO2 multilayers upon annealing, can be controlled by varying the SRO stoichiometry. Smaller, more spherical QDs of higher densities are obtained at lower Si concentrations. In richer SRO layers ellipsoidal QDs tend to form. Using electronic structure calculations within the effective mass approximation we show that ellipsoidal QDs give rise to reduced inter-QD coupling in the layer. Efficient carrier transport via mini-bands is in this case more likely across the multilayers provided the SiO2 spacer layer is thin enough to allow coupling in the vertical direction. Electronic supplementary information (ESI) available: Electron tomography reconstruction movies. See DOI: 10.1039/c3nr01998e

Decreased contralateral breast volume after mastectomy, adjuvant chemotherapy, and anti-estrogen therapy, in particular in breasts with high density.

PubMed

Ishii, Naohiro; Ando, Jiro; Harao, Michiko; Takemae, Masaru; Kishi, Kazuo

2017-10-01

Adjuvant chemotherapy and anti-estrogenic therapy can result in decreased volume of the contralateral breast, following mastectomy for the treatment of breast cancer. However, no data on the effect of adjuvant therapy on contralateral breast volume have previously been reported. We aimed to evaluate the extent to which adjuvant therapy and differences in breast density contribute to decreased breast volume. We conducted a prospective cohort study, selecting 40 nonconsecutive patients who underwent immediate breast reconstruction with mastectomy and expander insertion followed by expander replacement. We measured the contralateral breast volume before each procedure. The extent of the change was analyzed with respect to adjuvant therapy and breast density measured by preoperative mammography. The greatest decrease in breast volume was 135.1 cm 3 . The decrease in breast volume was significantly larger in the adjuvant therapy (+) group, particularly in patients with high breast density, than in the adjuvant therapy (-) group. Significant differences between the chemotherapy (+), tamoxifen (+) group and the chemotherapy (-), tamoxifen (+) group were not found. Breast density scores had a range of 2.0-3.3 (mean: 2.8). In breast reconstruction, particularly when performed in one stage, preoperative mammography findings are valuable to plastic surgeons, and possible decreases in the contralateral breast volume due to adjuvant therapy, particularly in patients with high breast density, should be considered carefully. Copyright © 2017 British Association of Plastic, Reconstructive and Aesthetic Surgeons. Published by Elsevier Ltd. All rights reserved.

Enceladus Plume Density Modeling and Reconstruction for Cassini Attitude Control System

NASA Technical Reports Server (NTRS)

Sarani, Siamak

2010-01-01

In 2005, Cassini detected jets composed mostly of water, spouting from a set of nearly parallel rifts in the crust of Enceladus, an icy moon of Saturn. During an Enceladus flyby, either reaction wheels or attitude control thrusters on the Cassini spacecraft are used to overcome the external torque imparted on Cassini due to Enceladus plume or jets, as well as to slew the spacecraft in order to meet the pointing needs of the on-board science instruments. If the estimated imparted torque is larger than it can be controlled by the reaction wheel control system, thrusters are used to control the spacecraft. Having an engineering model that can predict and simulate the external torque imparted on Cassini spacecraft due to the plume density during all projected low-altitude Enceladus flybys is important. Equally important is being able to reconstruct the plume density after each flyby in order to calibrate the model. This paper describes an engineering model of the Enceladus plume density, as a function of the flyby altitude, developed for the Cassini Attitude and Articulation Control Subsystem, and novel methodologies that use guidance, navigation, and control data to estimate the external torque imparted on the spacecraft due to the Enceladus plume and jets. The plume density is determined accordingly. The methodologies described have already been used to reconstruct the plume density for three low-altitude Enceladus flybys of Cassini in 2008 and will continue to be used on all remaining low-altitude Enceladus flybys in Cassini's extended missions.

Measurement of impinging butane flame using combined optical system with digital speckle tomography

NASA Astrophysics Data System (ADS)

Ko, Han Seo; Ahn, Seong Soo; Kim, Hyun Jung

2011-11-01

Three-dimensional density distributions of an impinging and eccentric flame were measured experimentally using a combined optical system with digital speckle tomography. In addition, a three-dimensional temperature distribution of the flame was reconstructed from an ideal gas equation based on the reconstructed density data. The flame was formed by the ignition of premixed butane/air from air holes and impinged upward against a plate located 24 mm distance from the burner nozzle. In order to verify the reconstruction process for the experimental measurements, numerically synthesized phantoms of impinging and eccentric flames were derived and reconstructed using a developed three-dimensional multiplicative algebraic reconstruction technique (MART). A new scanning technique was developed for the accurate analysis of speckle displacements necessary for investigating the wall jet regions of the impinging flame at which a sharp variation of the flow direction and pressure gradient occur. The reconstructed temperatures by the digital speckle tomography were applied to the boundary condition for numerical analysis of a flame impinged plate. Then, the numerically calculated temperature distribution of the upper side of the flame impinged plate was compared to temperature data taken by an infrared camera. The absolute average uncertainty between the numerical and infrared camera data was 3.7%.

All Recent Mars Landers Have Landed Downrange - Are Mars Atmosphere Models Mis-Predicting Density?

NASA Technical Reports Server (NTRS)

Desai, Prasun N.

2008-01-01

All recent Mars landers (Mars Pathfinder, the two Mars Exploration Rovers Spirit and Opportunity, and the Mars Phoenix Lander) have landed further downrange than their pre-entry predictions. Mars Pathfinder landed 27 km downrange of its prediction [1], Spirit and Opportunity landed 13.4 km and 14.9 km, respectively, downrange from their predictions [2], and Phoenix landed 21 km downrange from its prediction [3]. Reconstruction of their entries revealed a lower density profile than the best a priori atmospheric model predictions. Do these results suggest that there is a systemic issue in present Mars atmosphere models that predict a higher density than observed on landing day? Spirit Landing: The landing location for Spirit was 13.4 km downrange of the prediction as shown in Fig. 1. The navigation errors upon Mars arrival were very small [2]. As such, the entry interface conditions were not responsible for this downrange landing. Consequently, experiencing a lower density during the entry was the underlying cause. The reconstructed density profile that Spirit experienced is shown in Fig. 2, which is plotted as a fraction of the pre-entry baseline prediction that was used for all the entry, descent, and landing (EDL) design analyses. The reconstructed density is observed to be less dense throughout the descent reaching a maximum reduction of 15% at 21 km. This lower density corresponded to approximately a 1- low profile relative to the dispersions predicted. Nearly all the deceleration during the entry occurs within 10- 50 km. As such, prediction of density within this altitude band is most critical for entry flight dynamics analyses and design (e.g., aerodynamic and aerothermodynamic predictions, landing location, etc.).

Electron Temperature and Density in Local Helicity Injection and High betat Plasmas

NASA Astrophysics Data System (ADS)

Schlossberg, David J.

Tokamak startup in a spherical torus (ST) and an ST-based fusion nuclear science facility can greatly benefit from using non-inductive methods. The Pegasus Toroidal Experiment has developed a non-inductive startup technique using local helicity injection (LHI). Electron temperature, T e(r), and density, ne( r), profiles during LHI are unknown. These profiles are critical for understanding both the physics of the injection and relaxation mechanisms, as well as for extrapolating this technique to larger devices. A new Thomson scattering system has been designed, installed, and used to characterize Te(r, t) and ne(r, t) during LHI. The diagnostic leverages new technology in image intensified CCD cameras, high-efficiency diffraction gratings, and reliable Nd:YAG lasers. Custom systems for stray light mitigation, fast shuttering, and precision timing have been developed and implemented. The overall system provides a low-maintenance, economic, and effective means to explore novel physics regimes in Pegasus. Electron temperature and density profiles during LHI have been measured for the first time. Results indicate Te(r) peaked in the core of plasmas, and sustained while plasmas are coupled to injection drive. Electron densities also peak near the core of the tokamak, up to local values of n e ˜ 1.5 x 1019 m -3. A comparison of Te( r, t) has been made between discharges with dominant drive voltage from induction versus helicity injection. In both cases Te ( r, t) profiles remain peaked, with values for Te ,max > 150 eV in dominantly helicity-driven plasmas using high-field side LHI. Sustained values of betat ˜ 100% have been demonstrated in a tokamak for the first time. Plasmas are created and driven entirely non-solenoidally, and exhibit MHD stability. Measured temperature and density profiles are used to constrain magnetic equilibrium reconstructions, which calculate 80% < betat < 100% throughout a toroidal field ramp-down. For a continued decrease in the toroidal field these plasmas disrupt near the ideal MHD no-wall stability limit predicted by the DCON code. Mode analyses of predicted and measured MHD agree, and suggest discharges terminate by an intermediate-m, n=1 external mode. A localized region of minimum |B| has been identified in these discharges, and modeling shows access to it depends on both plasma pressure and magnetic geometry. This magnetic well is shown to persist over several milliseconds, in both constant toroidal field and ramp-down cases.